
                    DL_POLY Version 2.20

                              Running on   32 nodes


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 ***************     DL_POLY BENCHMARK 9: MODEL MEMBRANE/VALINOMYCIN SYSTEM                               ***************
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 SIMULATION CONTROL PARAMETERS


 simulation temperature           3.1000E+02

 simulation pressure (katm)       1.0000E-03

 selected number of timesteps         5000

 equilibration period                 2000

 simulation timestep              1.0000E-03

 multiple timestep interval              4

 scaled restart requested

 force capping :                  1.0000E+05 kT/A

 equilibration included in overall averages

 data printing interval                 10

 statistics file interval               10

 temperature scaling on
 temperature scaling interval           10

 Berendsen anisotropic N-P-T
 thermostat relaxation time       5.0000E-01
 barostat relaxation time         1.0000E+01

 NST mode 0 X<>Y<>Z

 real space cut off               1.4000E+01

 primary neighbour cut off        1.0700E+01

 real space cut off (vdw)         1.0000E+01

 border width of Verlet shell     9.0000E-01

 Ewald sum  precision             5.0000E-06

 Electrostatics : Ewald sum  

 Ewald convergence parameter      2.0749E-01
 Ewald kmax1 kmax2 kmax3        14   14   16


 radial distribution functions on 
 g(r) collection interval                5
 g(r) bin width                   5.0000E-02


 Z density profile requested
 zdensity collection interval           10
 zdensity bin width               1.0000E-01
 zdensity range                   1.2800E+01

 g(r) printing option on      

 user allocated job time (h)      2.0000

 job closure time        (s)     200.000


SYSTEM SPECIFICATION

 energy units=kcal/ mol 


 number of molecular types               5

 molecular species type                  1


 name of species:             chain                                   

 number of molecules                   196

 number of atoms/sites                  41


 atomic characteristics:

                      site     name          mass        charge    repeat    freeze

                         1     ch2         14.02700     0.00000         1         0
                         2     ch2         14.02700     0.00000        19         0
                        21     ch2         14.02700     0.00000         1         1
                        22     ch2         14.02700     0.00000        19         0
                        41     ch2         14.02700     0.00000         1         0

 number of chemical bonds               40


 chemical bond details:

                            key     index     index                            parameters

                           harm         1         2     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm         2         3     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm         3         4     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm         4         5     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm         5         6     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm         6         7     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm         7         8     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm         8         9     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm         9        10     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        10        11     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        11        12     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        12        13     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        13        14     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        14        15     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        15        16     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        16        17     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        17        18     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        18        19     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        19        20     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        20        21     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        21        22     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        22        23     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        23        24     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        24        25     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        25        26     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        26        27     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        27        28     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        28        29     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        29        30     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        30        31     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        31        32     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        32        33     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        33        34     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        34        35     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        35        36     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        36        37     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        37        38     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        38        39     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        39        40     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00
                           harm        40        41     5.200000E+02   1.526000E+00   0.000000E+00   0.000000E+00

 number of bond angles                  39


 bond angle details:

                            key     index     index     index     f-const       angle

                           harm         1         2         3  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm         2         3         4  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm         3         4         5  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm         4         5         6  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm         5         6         7  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm         6         7         8  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm         7         8         9  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm         8         9        10  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm         9        10        11  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        10        11        12  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        11        12        13  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        12        13        14  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        13        14        15  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        14        15        16  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        15        16        17  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        16        17        18  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        17        18        19  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        18        19        20  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        19        20        21  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        20        21        22  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        21        22        23  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        22        23        24  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        23        24        25  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        24        25        26  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        25        26        27  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        26        27        28  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        27        28        29  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        28        29        30  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        29        30        31  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        30        31        32  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        31        32        33  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        32        33        34  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        33        34        35  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        34        35        36  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        35        36        37  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        36        37        38  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        37        38        39  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        38        39        40  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000
                           harm        39        40        41  1.2600E+02  112.400000    0.000000    0.000000    0.000000    0.000000

 number of dihedral angles              38


 dihedral angle details:

                            key     index     index     index     index     f-const       angle        trig    1-4 elec     1-4 vdw

                           cos          1         2         3         4  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos          2         3         4         5  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos          3         4         5         6  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos          4         5         6         7  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos          5         6         7         8  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos          6         7         8         9  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos          7         8         9        10  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos          8         9        10        11  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos          9        10        11        12  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         10        11        12        13  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         11        12        13        14  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         12        13        14        15  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         13        14        15        16  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         14        15        16        17  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         15        16        17        18  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         16        17        18        19  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         17        18        19        20  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         18        19        20        21  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         19        20        21        22  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         20        21        22        23  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         21        22        23        24  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         22        23        24        25  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         23        24        25        26  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         24        25        26        27  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         25        26        27        28  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         26        27        28        29  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         27        28        29        30  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         28        29        30        31  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         29        30        31        32  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         30        31        32        33  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         31        32        33        34  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         32        33        34        35  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         33        34        35        36  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         34        35        36        37  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         35        36        37        38  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         36        37        38        39  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         37        38        39        40  2.0000E+00    0.000000    3.000000    0.500000    0.500000
                           cos         38        39        40        41  2.0000E+00    0.000000    3.000000    0.500000    0.500000

 molecular species type                  2


 name of species:             VM                                      

 number of molecules                     4

 number of atoms/sites                 168


 atomic characteristics:

                      site     name          mass        charge    repeat    freeze

                        42     CT          12.01000     0.27200         3         0
                        45     C           12.01000     0.47700         3         0
                        48     CT          12.01000    -0.01830         3         0
                        51     CT          12.01000    -0.13900         6         0
                        57     CT          12.01000    -0.14950         3         0
                        60     CT          12.01000    -0.01830         3         0
                        63     CT          12.01000    -0.07300         2         0
                        65     CT          12.01000    -0.13900         5         0
                        70     CT          12.01000    -0.07300         1         0
                        71     CT          12.01000    -0.13900         1         0
                        72     CT          12.01000    -0.01830         3         0
                        75     CT          12.01000    -0.13900         6         0
                        81     C           12.01000     0.69200         3         0
                        84     CT          12.01000     0.27200         3         0
                        87     C           12.01000     0.47700         3         0
                        90     CT          12.01000    -0.07300         3         0
                        93     C           12.01000     0.69200         3         0
                        96     H            1.00800     0.21100         2         0
                        98     HC           1.00800    -0.00900         3         0
                       101     HC           1.00800     0.03700         3         0
                       104     HC           1.00800     0.04730        18         0
                       122     HC           1.00800     0.05800         9         0
                       131     HC           1.00800     0.03700         3         0
                       134     HC           1.00800     0.05800         2         0
                       136     HC           1.00800     0.04730        18         0
                       154     HC           1.00800     0.03700         3         0
                       157     HC           1.00800     0.04730        18         0
                       175     HC           1.00800    -0.00900         2         0
                       177     H            1.00800     0.21100         1         0
                       178     HC           1.00800    -0.00900         1         0
                       179     HC           1.00800     0.05800         1         0
                       180     H            1.00800     0.21100         1         0
                       181     HC           1.00800     0.05800         1         0
                       182     H            1.00800     0.21100         2         0
                       184     HC           1.00800     0.05800         2         0
                       186     N           14.01000    -0.40100         6         0
                       192     OS          16.00000    -0.45500         3         0
                       195     Oe          16.00000    -0.41600         3         0
                       198     O           16.00000    -0.40500         3         0
                       201     Oe          16.00000    -0.41600         3         0
                       204     O           16.00000    -0.40500         3         0
                       207     OS          16.00000    -0.45500         3         0

 number of bond constraints            168


 constraint bond details:

                          index     index  bondlength

                              4         1    1.486105
                             31         1    1.523565
                             57         1    1.009680
                            151         1    1.442899
                             34        31    1.524913
                             37        31    1.506080
                            113        31    0.993719
                            116        34    0.992284
                            118        34    1.014433
                            119        34    0.992555
                            125        37    0.994283
                            127        37    1.010641
                            128        37    1.005550
                            163         4    1.244236
                            146         4    1.315488
                            146        56    1.001914
                            146        23    1.454486
                             94        23    1.008227
                             23         8    1.543823
                             61         8    0.999074
                             11         8    1.514619
                             14         8    1.501739
                             64        14    1.002998
                             67        14    1.005779
                             68        14    0.999233
                             73        11    0.986398
                             76        11    0.998101
                             77        11    0.985557
                             41        23    1.512212
                            155        41    1.233244
                            167        41    1.347607
                            167        44    1.461812
                            135        44    0.988338
                             44        17    1.524403
                             82        17    1.001773
                             85        17    0.980752
                             86        17    1.006294
                             47        44    1.514476
                            158        47    1.240752
                            149        47    1.335890
                            149       142    0.997261
                            149        50    1.462303
                            144        50    0.998004
                             50        20    1.513553
                             91        20    0.997102
                             25        20    1.539717
                             96        25    0.979453
                             99        25    0.980711
                            100        25    1.003605
                             28        20    1.531585
                            105        28    0.999707
                            108        28    1.000808
                            109        28    0.995455
                             53        50    1.509162
                            161        53    1.217565
                            152        53    1.344948
                            152         2    1.451880
                             58         2    0.998406
                             32         2    1.542298
                            114        32    0.994169
                             35        32    1.485713
                            117        35    1.002932
                            120        35    0.996168
                            121        35    1.002218
                             38        32    1.513793
                            126        38    0.987099
                            129        38    1.007039
                            130        38    0.998862
                              5         2    1.476429
                            164         5    1.245292
                            147         5    1.345528
                            147       136    1.000347
                            147        29    1.468647
                            137        29    0.994374
                             29         9    1.515361
                             62         9    1.008729
                             12         9    1.543147
                             78        12    1.007375
                             79        12    0.995093
                             80        12    1.011594
                             15         9    1.528393
                             69        15    0.998413
                             70        15    0.992463
                             71        15    1.003027
                             42        29    1.538416
                            156        42    1.196969
                            168        42    1.337440
                            168        45    1.454607
                            138        45    0.999003
                             45        18    1.539218
                             87        18    1.013893
                             88        18    0.992701
                             89        18    0.992267
                             48        45    1.536754
                            159        48    1.233537
                            150        48    1.345689
                            150       139    1.014450
                            150        51    1.478337
                            140        51    0.997726
                             51        21    1.532909
                             92        21    0.999932
                             26        21    1.517486
                            101        26    1.008826
                            102        26    0.993676
                            103        26    0.998177
                             30        21    1.516847
                            110        30    0.992335
                            111        30    0.995322
                            112        30    0.996005
                             54        51    1.518843
                            162        54    1.171709
                            153        54    1.340107
                            153         3    1.458518
                             59         3    1.000668
                             33         3    1.517590
                            115        33    0.994152
                             36        33    1.483032
                            122        36    0.986310
                            123        36    1.007546
                            124        36    1.007020
                             39        33    1.520240
                            131        39    1.004819
                            132        39    0.996229
                            133        39    0.991354
                              6         3    1.548029
                            165         6    1.222797
                            145         6    1.351446
                            145        55    0.990906
                            145        22    1.466169
                             93        22    1.004201
                             22         7    1.512640
                             60         7    1.002179
                             10         7    1.562525
                             63        10    0.980039
                             65        10    0.989969
                             66        10    1.015725
                             13         7    1.536684
                             72        13    1.010233
                             74        13    1.002323
                             75        13    1.008558
                             40        22    1.520833
                            154        40    1.210786
                            166        40    1.343005
                            166        43    1.470808
                            134        43    1.013113
                             43        16    1.527742
                             81        16    1.001291
                             83        16    0.999829
                             84        16    0.996005
                             46        43    1.544722
                            157        46    1.271581
                            148        46    1.283358
                            148       141    1.001623
                            148        49    1.464652
                            143        49    1.005979
                             49        19    1.539427
                             90        19    0.996794
                             24        19    1.551826
                             95        24    0.994511
                             97        24    0.984001
                             98        24    1.003867
                             27        19    1.476588
                            104        27    1.005209
                            106        27    1.002002
                            107        27    0.995524
                             52        49    1.509973
                            151        52    1.343128
                            160        52    1.206223

 number of bond angles                 312


 bond angle details:

                            key     index     index     index     f-const       angle

                           harm         4         1        31  1.2600E+02  111.100000    1.000000    0.000000    0.000000    0.000000
                           harm         4         1        57  7.0000E+01  109.500000    2.000000    0.000000    0.000000    0.000000
                           harm         4         1       151  1.4000E+02  109.500000    3.000000    0.000000    0.000000    0.000000
                           harm        31         1        57  7.0000E+01  109.500000    4.000000    0.000000    0.000000    0.000000
                           harm        31         1       151  1.0000E+02  109.500000    5.000000    0.000000    0.000000    0.000000
                           harm        57         1       151  7.0000E+01  109.500000    6.000000    0.000000    0.000000    0.000000
                           harm         5         2        32  1.2600E+02  111.100000    7.000000    0.000000    0.000000    0.000000
                           harm         5         2        58  7.0000E+01  109.500000    8.000000    0.000000    0.000000    0.000000
                           harm         5         2       152  1.4000E+02  109.500000    9.000000    0.000000    0.000000    0.000000
                           harm        32         2        58  7.0000E+01  109.500000   10.000000    0.000000    0.000000    0.000000
                           harm        32         2       152  1.0000E+02  109.500000   11.000000    0.000000    0.000000    0.000000
                           harm        58         2       152  7.0000E+01  109.500000   12.000000    0.000000    0.000000    0.000000
                           harm         6         3        33  1.2600E+02  111.100000   13.000000    0.000000    0.000000    0.000000
                           harm         6         3        59  7.0000E+01  109.500000   14.000000    0.000000    0.000000    0.000000
                           harm         6         3       153  1.4000E+02  109.500000   15.000000    0.000000    0.000000    0.000000
                           harm        33         3        59  7.0000E+01  109.500000   16.000000    0.000000    0.000000    0.000000
                           harm        33         3       153  1.0000E+02  109.500000   17.000000    0.000000    0.000000    0.000000
                           harm        59         3       153  7.0000E+01  109.500000   18.000000    0.000000    0.000000    0.000000
                           harm         1         4       146  1.4000E+02  116.600000   19.000000    0.000000    0.000000    0.000000
                           harm         1         4       163  1.6000E+02  120.400000   20.000000    0.000000    0.000000    0.000000
                           harm       146         4       163  1.6000E+02  122.900000   21.000000    0.000000    0.000000    0.000000
                           harm         2         5       147  1.4000E+02  116.600000   22.000000    0.000000    0.000000    0.000000
                           harm         2         5       164  1.6000E+02  120.400000   23.000000    0.000000    0.000000    0.000000
                           harm       147         5       164  1.6000E+02  122.900000   24.000000    0.000000    0.000000    0.000000
                           harm         3         6       145  1.4000E+02  116.600000   25.000000    0.000000    0.000000    0.000000
                           harm         3         6       165  1.6000E+02  120.400000   26.000000    0.000000    0.000000    0.000000
                           harm       145         6       165  1.6000E+02  122.900000   27.000000    0.000000    0.000000    0.000000
                           harm        10         7        13  8.0000E+01  109.500000   28.000000    0.000000    0.000000    0.000000
                           harm        10         7        22  8.0000E+01  109.500000   29.000000    0.000000    0.000000    0.000000
                           harm        10         7        60  7.0000E+01  109.500000   30.000000    0.000000    0.000000    0.000000
                           harm        13         7        22  8.0000E+01  109.500000   31.000000    0.000000    0.000000    0.000000
                           harm        13         7        60  7.0000E+01  109.500000   32.000000    0.000000    0.000000    0.000000
                           harm        22         7        60  7.0000E+01  109.500000   33.000000    0.000000    0.000000    0.000000
                           harm        11         8        14  8.0000E+01  109.500000   34.000000    0.000000    0.000000    0.000000
                           harm        11         8        23  8.0000E+01  109.500000   35.000000    0.000000    0.000000    0.000000
                           harm        11         8        61  7.0000E+01  109.500000   36.000000    0.000000    0.000000    0.000000
                           harm        14         8        23  8.0000E+01  109.500000   37.000000    0.000000    0.000000    0.000000
                           harm        14         8        61  7.0000E+01  109.500000   38.000000    0.000000    0.000000    0.000000
                           harm        23         8        61  7.0000E+01  109.500000   39.000000    0.000000    0.000000    0.000000
                           harm        12         9        15  8.0000E+01  109.500000   40.000000    0.000000    0.000000    0.000000
                           harm        12         9        29  8.0000E+01  109.500000   41.000000    0.000000    0.000000    0.000000
                           harm        12         9        62  7.0000E+01  109.500000   42.000000    0.000000    0.000000    0.000000
                           harm        15         9        29  8.0000E+01  109.500000   43.000000    0.000000    0.000000    0.000000
                           harm        15         9        62  7.0000E+01  109.500000   44.000000    0.000000    0.000000    0.000000
                           harm        29         9        62  7.0000E+01  109.500000   45.000000    0.000000    0.000000    0.000000
                           harm         7        10        63  7.0000E+01  109.500000   46.000000    0.000000    0.000000    0.000000
                           harm         7        10        65  7.0000E+01  109.500000   47.000000    0.000000    0.000000    0.000000
                           harm         7        10        66  7.0000E+01  109.500000   48.000000    0.000000    0.000000    0.000000
                           harm        63        10        65  7.0000E+01  109.500000   49.000000    0.000000    0.000000    0.000000
                           harm        63        10        66  7.0000E+01  109.500000   50.000000    0.000000    0.000000    0.000000
                           harm        65        10        66  7.0000E+01  109.500000   51.000000    0.000000    0.000000    0.000000
                           harm         8        11        73  7.0000E+01  109.500000   52.000000    0.000000    0.000000    0.000000
                           harm         8        11        76  7.0000E+01  109.500000   53.000000    0.000000    0.000000    0.000000
                           harm         8        11        77  7.0000E+01  109.500000   54.000000    0.000000    0.000000    0.000000
                           harm        73        11        76  7.0000E+01  109.500000   55.000000    0.000000    0.000000    0.000000
                           harm        73        11        77  7.0000E+01  109.500000   56.000000    0.000000    0.000000    0.000000
                           harm        76        11        77  7.0000E+01  109.500000   57.000000    0.000000    0.000000    0.000000
                           harm         9        12        78  7.0000E+01  109.500000   58.000000    0.000000    0.000000    0.000000
                           harm         9        12        79  7.0000E+01  109.500000   59.000000    0.000000    0.000000    0.000000
                           harm         9        12        80  7.0000E+01  109.500000   60.000000    0.000000    0.000000    0.000000
                           harm        78        12        79  7.0000E+01  109.500000   61.000000    0.000000    0.000000    0.000000
                           harm        78        12        80  7.0000E+01  109.500000   62.000000    0.000000    0.000000    0.000000
                           harm        79        12        80  7.0000E+01  109.500000   63.000000    0.000000    0.000000    0.000000
                           harm         7        13        72  7.0000E+01  109.500000   64.000000    0.000000    0.000000    0.000000
                           harm         7        13        74  7.0000E+01  109.500000   65.000000    0.000000    0.000000    0.000000
                           harm         7        13        75  7.0000E+01  109.500000   66.000000    0.000000    0.000000    0.000000
                           harm        72        13        74  7.0000E+01  109.500000   67.000000    0.000000    0.000000    0.000000
                           harm        72        13        75  7.0000E+01  109.500000   68.000000    0.000000    0.000000    0.000000
                           harm        74        13        75  7.0000E+01  109.500000   69.000000    0.000000    0.000000    0.000000
                           harm         8        14        64  7.0000E+01  109.500000   70.000000    0.000000    0.000000    0.000000
                           harm         8        14        67  7.0000E+01  109.500000   71.000000    0.000000    0.000000    0.000000
                           harm         8        14        68  7.0000E+01  109.500000   72.000000    0.000000    0.000000    0.000000
                           harm        64        14        67  7.0000E+01  109.500000   73.000000    0.000000    0.000000    0.000000
                           harm        64        14        68  7.0000E+01  109.500000   74.000000    0.000000    0.000000    0.000000
                           harm        67        14        68  7.0000E+01  109.500000   75.000000    0.000000    0.000000    0.000000
                           harm         9        15        69  7.0000E+01  109.500000   76.000000    0.000000    0.000000    0.000000
                           harm         9        15        70  7.0000E+01  109.500000   77.000000    0.000000    0.000000    0.000000
                           harm         9        15        71  7.0000E+01  109.500000   78.000000    0.000000    0.000000    0.000000
                           harm        69        15        70  7.0000E+01  109.500000   79.000000    0.000000    0.000000    0.000000
                           harm        69        15        71  7.0000E+01  109.500000   80.000000    0.000000    0.000000    0.000000
                           harm        70        15        71  7.0000E+01  109.500000   81.000000    0.000000    0.000000    0.000000
                           harm        43        16        81  7.0000E+01  109.500000   82.000000    0.000000    0.000000    0.000000
                           harm        43        16        83  7.0000E+01  109.500000   83.000000    0.000000    0.000000    0.000000
                           harm        43        16        84  7.0000E+01  109.500000   84.000000    0.000000    0.000000    0.000000
                           harm        81        16        83  7.0000E+01  109.500000   85.000000    0.000000    0.000000    0.000000
                           harm        81        16        84  7.0000E+01  109.500000   86.000000    0.000000    0.000000    0.000000
                           harm        83        16        84  7.0000E+01  109.500000   87.000000    0.000000    0.000000    0.000000
                           harm        44        17        82  7.0000E+01  109.500000   88.000000    0.000000    0.000000    0.000000
                           harm        44        17        85  7.0000E+01  109.500000   89.000000    0.000000    0.000000    0.000000
                           harm        44        17        86  7.0000E+01  109.500000   90.000000    0.000000    0.000000    0.000000
                           harm        82        17        85  7.0000E+01  109.500000   91.000000    0.000000    0.000000    0.000000
                           harm        82        17        86  7.0000E+01  109.500000   92.000000    0.000000    0.000000    0.000000
                           harm        85        17        86  7.0000E+01  109.500000   93.000000    0.000000    0.000000    0.000000
                           harm        45        18        87  7.0000E+01  109.500000   94.000000    0.000000    0.000000    0.000000
                           harm        45        18        88  7.0000E+01  109.500000   95.000000    0.000000    0.000000    0.000000
                           harm        45        18        89  7.0000E+01  109.500000   96.000000    0.000000    0.000000    0.000000
                           harm        87        18        88  7.0000E+01  109.500000   97.000000    0.000000    0.000000    0.000000
                           harm        87        18        89  7.0000E+01  109.500000   98.000000    0.000000    0.000000    0.000000
                           harm        88        18        89  7.0000E+01  109.500000   99.000000    0.000000    0.000000    0.000000
                           harm        24        19        27  8.0000E+01  109.500000  100.000000    0.000000    0.000000    0.000000
                           harm        24        19        49  8.0000E+01  109.500000  101.000000    0.000000    0.000000    0.000000
                           harm        24        19        90  7.0000E+01  109.500000  102.000000    0.000000    0.000000    0.000000
                           harm        27        19        49  8.0000E+01  109.500000  103.000000    0.000000    0.000000    0.000000
                           harm        27        19        90  7.0000E+01  109.500000  104.000000    0.000000    0.000000    0.000000
                           harm        49        19        90  7.0000E+01  109.500000  105.000000    0.000000    0.000000    0.000000
                           harm        25        20        28  8.0000E+01  109.500000  106.000000    0.000000    0.000000    0.000000
                           harm        25        20        50  8.0000E+01  109.500000  107.000000    0.000000    0.000000    0.000000
                           harm        25        20        91  7.0000E+01  109.500000  108.000000    0.000000    0.000000    0.000000
                           harm        28        20        50  8.0000E+01  109.500000  109.000000    0.000000    0.000000    0.000000
                           harm        28        20        91  7.0000E+01  109.500000  110.000000    0.000000    0.000000    0.000000
                           harm        50        20        91  7.0000E+01  109.500000  111.000000    0.000000    0.000000    0.000000
                           harm        26        21        30  8.0000E+01  109.500000  112.000000    0.000000    0.000000    0.000000
                           harm        26        21        51  8.0000E+01  109.500000  113.000000    0.000000    0.000000    0.000000
                           harm        26        21        92  7.0000E+01  109.500000  114.000000    0.000000    0.000000    0.000000
                           harm        30        21        51  8.0000E+01  109.500000  115.000000    0.000000    0.000000    0.000000
                           harm        30        21        92  7.0000E+01  109.500000  116.000000    0.000000    0.000000    0.000000
                           harm        51        21        92  7.0000E+01  109.500000  117.000000    0.000000    0.000000    0.000000
                           harm         7        22        40  1.2600E+02  111.100000  118.000000    0.000000    0.000000    0.000000
                           harm         7        22        93  7.0000E+01  109.500000  119.000000    0.000000    0.000000    0.000000
                           harm         7        22       145  1.6000E+02  109.700000  120.000000    0.000000    0.000000    0.000000
                           harm        40        22        93  7.0000E+01  109.500000  121.000000    0.000000    0.000000    0.000000
                           harm        40        22       145  1.2600E+02  110.100000  122.000000    0.000000    0.000000    0.000000
                           harm        93        22       145  7.0000E+01  109.500000  123.000000    0.000000    0.000000    0.000000
                           harm         8        23        41  1.2600E+02  111.100000  124.000000    0.000000    0.000000    0.000000
                           harm         8        23        94  7.0000E+01  109.500000  125.000000    0.000000    0.000000    0.000000
                           harm         8        23       146  1.6000E+02  109.700000  126.000000    0.000000    0.000000    0.000000
                           harm        41        23        94  7.0000E+01  109.500000  127.000000    0.000000    0.000000    0.000000
                           harm        41        23       146  1.2600E+02  110.100000  128.000000    0.000000    0.000000    0.000000
                           harm        94        23       146  7.0000E+01  109.500000  129.000000    0.000000    0.000000    0.000000
                           harm        19        24        95  7.0000E+01  109.500000  130.000000    0.000000    0.000000    0.000000
                           harm        19        24        97  7.0000E+01  109.500000  131.000000    0.000000    0.000000    0.000000
                           harm        19        24        98  7.0000E+01  109.500000  132.000000    0.000000    0.000000    0.000000
                           harm        95        24        97  7.0000E+01  109.500000  133.000000    0.000000    0.000000    0.000000
                           harm        95        24        98  7.0000E+01  109.500000  134.000000    0.000000    0.000000    0.000000
                           harm        97        24        98  7.0000E+01  109.500000  135.000000    0.000000    0.000000    0.000000
                           harm        20        25        96  7.0000E+01  109.500000  136.000000    0.000000    0.000000    0.000000
                           harm        20        25        99  7.0000E+01  109.500000  137.000000    0.000000    0.000000    0.000000
                           harm        20        25       100  7.0000E+01  109.500000  138.000000    0.000000    0.000000    0.000000
                           harm        96        25        99  7.0000E+01  109.500000  139.000000    0.000000    0.000000    0.000000
                           harm        96        25       100  7.0000E+01  109.500000  140.000000    0.000000    0.000000    0.000000
                           harm        99        25       100  7.0000E+01  109.500000  141.000000    0.000000    0.000000    0.000000
                           harm        21        26       101  7.0000E+01  109.500000  142.000000    0.000000    0.000000    0.000000
                           harm        21        26       102  7.0000E+01  109.500000  143.000000    0.000000    0.000000    0.000000
                           harm        21        26       103  7.0000E+01  109.500000  144.000000    0.000000    0.000000    0.000000
                           harm       101        26       102  7.0000E+01  109.500000  145.000000    0.000000    0.000000    0.000000
                           harm       101        26       103  7.0000E+01  109.500000  146.000000    0.000000    0.000000    0.000000
                           harm       102        26       103  7.0000E+01  109.500000  147.000000    0.000000    0.000000    0.000000
                           harm        19        27       104  7.0000E+01  109.500000  148.000000    0.000000    0.000000    0.000000
                           harm        19        27       106  7.0000E+01  109.500000  149.000000    0.000000    0.000000    0.000000
                           harm        19        27       107  7.0000E+01  109.500000  150.000000    0.000000    0.000000    0.000000
                           harm       104        27       106  7.0000E+01  109.500000  151.000000    0.000000    0.000000    0.000000
                           harm       104        27       107  7.0000E+01  109.500000  152.000000    0.000000    0.000000    0.000000
                           harm       106        27       107  7.0000E+01  109.500000  153.000000    0.000000    0.000000    0.000000
                           harm        20        28       105  7.0000E+01  109.500000  154.000000    0.000000    0.000000    0.000000
                           harm        20        28       108  7.0000E+01  109.500000  155.000000    0.000000    0.000000    0.000000
                           harm        20        28       109  7.0000E+01  109.500000  156.000000    0.000000    0.000000    0.000000
                           harm       105        28       108  7.0000E+01  109.500000  157.000000    0.000000    0.000000    0.000000
                           harm       105        28       109  7.0000E+01  109.500000  158.000000    0.000000    0.000000    0.000000
                           harm       108        28       109  7.0000E+01  109.500000  159.000000    0.000000    0.000000    0.000000
                           harm         9        29        42  1.2600E+02  111.100000  160.000000    0.000000    0.000000    0.000000
                           harm         9        29       137  7.0000E+01  109.500000  161.000000    0.000000    0.000000    0.000000
                           harm         9        29       147  1.6000E+02  109.700000  162.000000    0.000000    0.000000    0.000000
                           harm        42        29       137  7.0000E+01  109.500000  163.000000    0.000000    0.000000    0.000000
                           harm        42        29       147  1.2600E+02  110.100000  164.000000    0.000000    0.000000    0.000000
                           harm       137        29       147  7.0000E+01  109.500000  165.000000    0.000000    0.000000    0.000000
                           harm        21        30       110  7.0000E+01  109.500000  166.000000    0.000000    0.000000    0.000000
                           harm        21        30       111  7.0000E+01  109.500000  167.000000    0.000000    0.000000    0.000000
                           harm        21        30       112  7.0000E+01  109.500000  168.000000    0.000000    0.000000    0.000000
                           harm       110        30       111  7.0000E+01  109.500000  169.000000    0.000000    0.000000    0.000000
                           harm       110        30       112  7.0000E+01  109.500000  170.000000    0.000000    0.000000    0.000000
                           harm       111        30       112  7.0000E+01  109.500000  171.000000    0.000000    0.000000    0.000000
                           harm         1        31        34  8.0000E+01  109.500000  172.000000    0.000000    0.000000    0.000000
                           harm         1        31        37  8.0000E+01  109.500000  173.000000    0.000000    0.000000    0.000000
                           harm         1        31       113  7.0000E+01  109.500000  174.000000    0.000000    0.000000    0.000000
                           harm        34        31        37  8.0000E+01  109.500000  175.000000    0.000000    0.000000    0.000000
                           harm        34        31       113  7.0000E+01  109.500000  176.000000    0.000000    0.000000    0.000000
                           harm        37        31       113  7.0000E+01  109.500000  177.000000    0.000000    0.000000    0.000000
                           harm         2        32        35  8.0000E+01  109.500000  178.000000    0.000000    0.000000    0.000000
                           harm         2        32        38  8.0000E+01  109.500000  179.000000    0.000000    0.000000    0.000000
                           harm         2        32       114  7.0000E+01  109.500000  180.000000    0.000000    0.000000    0.000000
                           harm        35        32        38  8.0000E+01  109.500000  181.000000    0.000000    0.000000    0.000000
                           harm        35        32       114  7.0000E+01  109.500000  182.000000    0.000000    0.000000    0.000000
                           harm        38        32       114  7.0000E+01  109.500000  183.000000    0.000000    0.000000    0.000000
                           harm         3        33        36  8.0000E+01  109.500000  184.000000    0.000000    0.000000    0.000000
                           harm         3        33        39  8.0000E+01  109.500000  185.000000    0.000000    0.000000    0.000000
                           harm         3        33       115  7.0000E+01  109.500000  186.000000    0.000000    0.000000    0.000000
                           harm        36        33        39  8.0000E+01  109.500000  187.000000    0.000000    0.000000    0.000000
                           harm        36        33       115  7.0000E+01  109.500000  188.000000    0.000000    0.000000    0.000000
                           harm        39        33       115  7.0000E+01  109.500000  189.000000    0.000000    0.000000    0.000000
                           harm        31        34       116  7.0000E+01  109.500000  190.000000    0.000000    0.000000    0.000000
                           harm        31        34       118  7.0000E+01  109.500000  191.000000    0.000000    0.000000    0.000000
                           harm        31        34       119  7.0000E+01  109.500000  192.000000    0.000000    0.000000    0.000000
                           harm       116        34       118  7.0000E+01  109.500000  193.000000    0.000000    0.000000    0.000000
                           harm       116        34       119  7.0000E+01  109.500000  194.000000    0.000000    0.000000    0.000000
                           harm       118        34       119  7.0000E+01  109.500000  195.000000    0.000000    0.000000    0.000000
                           harm        32        35       117  7.0000E+01  109.500000  196.000000    0.000000    0.000000    0.000000
                           harm        32        35       120  7.0000E+01  109.500000  197.000000    0.000000    0.000000    0.000000
                           harm        32        35       121  7.0000E+01  109.500000  198.000000    0.000000    0.000000    0.000000
                           harm       117        35       120  7.0000E+01  109.500000  199.000000    0.000000    0.000000    0.000000
                           harm       117        35       121  7.0000E+01  109.500000  200.000000    0.000000    0.000000    0.000000
                           harm       120        35       121  7.0000E+01  109.500000  201.000000    0.000000    0.000000    0.000000
                           harm        33        36       122  7.0000E+01  109.500000  202.000000    0.000000    0.000000    0.000000
                           harm        33        36       123  7.0000E+01  109.500000  203.000000    0.000000    0.000000    0.000000
                           harm        33        36       124  7.0000E+01  109.500000  204.000000    0.000000    0.000000    0.000000
                           harm       122        36       123  7.0000E+01  109.500000  205.000000    0.000000    0.000000    0.000000
                           harm       122        36       124  7.0000E+01  109.500000  206.000000    0.000000    0.000000    0.000000
                           harm       123        36       124  7.0000E+01  109.500000  207.000000    0.000000    0.000000    0.000000
                           harm        31        37       125  7.0000E+01  109.500000  208.000000    0.000000    0.000000    0.000000
                           harm        31        37       127  7.0000E+01  109.500000  209.000000    0.000000    0.000000    0.000000
                           harm        31        37       128  7.0000E+01  109.500000  210.000000    0.000000    0.000000    0.000000
                           harm       125        37       127  7.0000E+01  109.500000  211.000000    0.000000    0.000000    0.000000
                           harm       125        37       128  7.0000E+01  109.500000  212.000000    0.000000    0.000000    0.000000
                           harm       127        37       128  7.0000E+01  109.500000  213.000000    0.000000    0.000000    0.000000
                           harm        32        38       126  7.0000E+01  109.500000  214.000000    0.000000    0.000000    0.000000
                           harm        32        38       129  7.0000E+01  109.500000  215.000000    0.000000    0.000000    0.000000
                           harm        32        38       130  7.0000E+01  109.500000  216.000000    0.000000    0.000000    0.000000
                           harm       126        38       129  7.0000E+01  109.500000  217.000000    0.000000    0.000000    0.000000
                           harm       126        38       130  7.0000E+01  109.500000  218.000000    0.000000    0.000000    0.000000
                           harm       129        38       130  7.0000E+01  109.500000  219.000000    0.000000    0.000000    0.000000
                           harm        33        39       131  7.0000E+01  109.500000  220.000000    0.000000    0.000000    0.000000
                           harm        33        39       132  7.0000E+01  109.500000  221.000000    0.000000    0.000000    0.000000
                           harm        33        39       133  7.0000E+01  109.500000  222.000000    0.000000    0.000000    0.000000
                           harm       131        39       132  7.0000E+01  109.500000  223.000000    0.000000    0.000000    0.000000
                           harm       131        39       133  7.0000E+01  109.500000  224.000000    0.000000    0.000000    0.000000
                           harm       132        39       133  7.0000E+01  109.500000  225.000000    0.000000    0.000000    0.000000
                           harm        22        40       154  1.6000E+02  120.400000  226.000000    0.000000    0.000000    0.000000
                           harm        22        40       166  1.4000E+02  117.000000  227.000000    0.000000    0.000000    0.000000
                           harm       154        40       166  1.4000E+02  123.000000  228.000000    0.000000    0.000000    0.000000
                           harm        23        41       155  1.6000E+02  120.400000  229.000000    0.000000    0.000000    0.000000
                           harm        23        41       167  1.4000E+02  117.000000  230.000000    0.000000    0.000000    0.000000
                           harm       155        41       167  1.4000E+02  123.000000  231.000000    0.000000    0.000000    0.000000
                           harm        29        42       156  1.6000E+02  120.400000  232.000000    0.000000    0.000000    0.000000
                           harm        29        42       168  1.4000E+02  117.000000  233.000000    0.000000    0.000000    0.000000
                           harm       156        42       168  1.4000E+02  123.000000  234.000000    0.000000    0.000000    0.000000
                           harm        16        43        46  1.2600E+02  111.100000  235.000000    0.000000    0.000000    0.000000
                           harm        16        43       134  7.0000E+01  109.500000  236.000000    0.000000    0.000000    0.000000
                           harm        16        43       166  1.0000E+02  109.500000  237.000000    0.000000    0.000000    0.000000
                           harm        46        43       134  7.0000E+01  109.500000  238.000000    0.000000    0.000000    0.000000
                           harm        46        43       166  1.4000E+02  109.500000  239.000000    0.000000    0.000000    0.000000
                           harm       134        43       166  7.0000E+01  109.500000  240.000000    0.000000    0.000000    0.000000
                           harm        17        44        47  1.2600E+02  111.100000  241.000000    0.000000    0.000000    0.000000
                           harm        17        44       135  7.0000E+01  109.500000  242.000000    0.000000    0.000000    0.000000
                           harm        17        44       167  1.0000E+02  109.500000  243.000000    0.000000    0.000000    0.000000
                           harm        47        44       135  7.0000E+01  109.500000  244.000000    0.000000    0.000000    0.000000
                           harm        47        44       167  1.4000E+02  109.500000  245.000000    0.000000    0.000000    0.000000
                           harm       135        44       167  7.0000E+01  109.500000  246.000000    0.000000    0.000000    0.000000
                           harm        18        45        48  1.2600E+02  111.100000  247.000000    0.000000    0.000000    0.000000
                           harm        18        45       138  7.0000E+01  109.500000  248.000000    0.000000    0.000000    0.000000
                           harm        18        45       168  1.0000E+02  109.500000  249.000000    0.000000    0.000000    0.000000
                           harm        48        45       138  7.0000E+01  109.500000  250.000000    0.000000    0.000000    0.000000
                           harm        48        45       168  1.4000E+02  109.500000  251.000000    0.000000    0.000000    0.000000
                           harm       138        45       168  7.0000E+01  109.500000  252.000000    0.000000    0.000000    0.000000
                           harm        43        46       148  1.4000E+02  116.600000  253.000000    0.000000    0.000000    0.000000
                           harm        43        46       157  1.6000E+02  120.400000  254.000000    0.000000    0.000000    0.000000
                           harm       148        46       157  1.6000E+02  122.900000  255.000000    0.000000    0.000000    0.000000
                           harm        44        47       149  1.4000E+02  116.600000  256.000000    0.000000    0.000000    0.000000
                           harm        44        47       158  1.6000E+02  120.400000  257.000000    0.000000    0.000000    0.000000
                           harm       149        47       158  1.6000E+02  122.900000  258.000000    0.000000    0.000000    0.000000
                           harm        45        48       150  1.4000E+02  116.600000  259.000000    0.000000    0.000000    0.000000
                           harm        45        48       159  1.6000E+02  120.400000  260.000000    0.000000    0.000000    0.000000
                           harm       150        48       159  1.6000E+02  122.900000  261.000000    0.000000    0.000000    0.000000
                           harm        19        49        52  1.2600E+02  111.100000  262.000000    0.000000    0.000000    0.000000
                           harm        19        49       143  7.0000E+01  109.500000  263.000000    0.000000    0.000000    0.000000
                           harm        19        49       148  1.6000E+02  109.700000  264.000000    0.000000    0.000000    0.000000
                           harm        52        49       143  7.0000E+01  109.500000  265.000000    0.000000    0.000000    0.000000
                           harm        52        49       148  1.2600E+02  110.100000  266.000000    0.000000    0.000000    0.000000
                           harm       143        49       148  7.0000E+01  109.500000  267.000000    0.000000    0.000000    0.000000
                           harm        20        50        53  1.2600E+02  111.100000  268.000000    0.000000    0.000000    0.000000
                           harm        20        50       144  7.0000E+01  109.500000  269.000000    0.000000    0.000000    0.000000
                           harm        20        50       149  1.6000E+02  109.700000  270.000000    0.000000    0.000000    0.000000
                           harm        53        50       144  7.0000E+01  109.500000  271.000000    0.000000    0.000000    0.000000
                           harm        53        50       149  1.2600E+02  110.100000  272.000000    0.000000    0.000000    0.000000
                           harm       144        50       149  7.0000E+01  109.500000  273.000000    0.000000    0.000000    0.000000
                           harm        21        51        54  1.2600E+02  111.100000  274.000000    0.000000    0.000000    0.000000
                           harm        21        51       140  7.0000E+01  109.500000  275.000000    0.000000    0.000000    0.000000
                           harm        21        51       150  1.6000E+02  109.700000  276.000000    0.000000    0.000000    0.000000
                           harm        54        51       140  7.0000E+01  109.500000  277.000000    0.000000    0.000000    0.000000
                           harm        54        51       150  1.2600E+02  110.100000  278.000000    0.000000    0.000000    0.000000
                           harm       140        51       150  7.0000E+01  109.500000  279.000000    0.000000    0.000000    0.000000
                           harm        49        52       151  1.4000E+02  117.000000  280.000000    0.000000    0.000000    0.000000
                           harm        49        52       160  1.6000E+02  120.400000  281.000000    0.000000    0.000000    0.000000
                           harm       151        52       160  1.4000E+02  123.000000  282.000000    0.000000    0.000000    0.000000
                           harm        50        53       152  1.4000E+02  117.000000  283.000000    0.000000    0.000000    0.000000
                           harm        50        53       161  1.6000E+02  120.400000  284.000000    0.000000    0.000000    0.000000
                           harm       152        53       161  1.4000E+02  123.000000  285.000000    0.000000    0.000000    0.000000
                           harm        51        54       153  1.4000E+02  117.000000  286.000000    0.000000    0.000000    0.000000
                           harm        51        54       162  1.6000E+02  120.400000  287.000000    0.000000    0.000000    0.000000
                           harm       153        54       162  1.4000E+02  123.000000  288.000000    0.000000    0.000000    0.000000
                           harm         6       145        55  7.0000E+01  119.800000  289.000000    0.000000    0.000000    0.000000
                           harm         6       145        22  1.0000E+02  121.900000  290.000000    0.000000    0.000000    0.000000
                           harm        22       145        55  7.6000E+01  118.400000  291.000000    0.000000    0.000000    0.000000
                           harm         4       146        56  7.0000E+01  119.800000  292.000000    0.000000    0.000000    0.000000
                           harm         4       146        23  1.0000E+02  121.900000  293.000000    0.000000    0.000000    0.000000
                           harm        23       146        56  7.6000E+01  118.400000  294.000000    0.000000    0.000000    0.000000
                           harm         5       147       136  7.0000E+01  119.800000  295.000000    0.000000    0.000000    0.000000
                           harm         5       147        29  1.0000E+02  121.900000  296.000000    0.000000    0.000000    0.000000
                           harm        29       147       136  7.6000E+01  118.400000  297.000000    0.000000    0.000000    0.000000
                           harm        46       148       141  7.0000E+01  119.800000  298.000000    0.000000    0.000000    0.000000
                           harm        46       148        49  1.0000E+02  121.900000  299.000000    0.000000    0.000000    0.000000
                           harm        49       148       141  7.6000E+01  118.400000  300.000000    0.000000    0.000000    0.000000
                           harm        47       149       142  7.0000E+01  119.800000  301.000000    0.000000    0.000000    0.000000
                           harm        47       149        50  1.0000E+02  121.900000  302.000000    0.000000    0.000000    0.000000
                           harm        50       149       142  7.6000E+01  118.400000  303.000000    0.000000    0.000000    0.000000
                           harm        48       150       139  7.0000E+01  119.800000  304.000000    0.000000    0.000000    0.000000
                           harm        48       150        51  1.0000E+02  121.900000  305.000000    0.000000    0.000000    0.000000
                           harm        51       150       139  7.6000E+01  118.400000  306.000000    0.000000    0.000000    0.000000
                           harm         1       151        52  2.0000E+02  116.400000  307.000000    0.000000    0.000000    0.000000
                           harm         2       152        53  2.0000E+02  116.400000  308.000000    0.000000    0.000000    0.000000
                           harm         3       153        54  2.0000E+02  116.400000  309.000000    0.000000    0.000000    0.000000
                           harm        40       166        43  2.0000E+02  116.400000  310.000000    0.000000    0.000000    0.000000
                           harm        41       167        44  2.0000E+02  116.400000  311.000000    0.000000    0.000000    0.000000
                           harm        42       168        45  2.0000E+02  116.400000  312.000000    0.000000    0.000000    0.000000

 number of dihedral angles             450


 dihedral angle details:

                            key     index     index     index     index     f-const       angle        trig    1-4 elec     1-4 vdw

                           cos        146         4         1       151  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         34        31         1        57  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31         1        57  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         34        31         1       151  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31         1       151  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31         1       151  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        147         5         2       152  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         35        32         2        58  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32         2        58  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         35        32         2       152  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32         2       152  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32         2       152  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        145         6         3       153  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         36        33         3        59  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33         3        59  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         36        33         3       153  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33         3       153  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33         3       153  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         31         1         4       146  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         57         1         4       146  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         31         1         4       163  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         31         1         4       163  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         57         1         4       163  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         57         1         4       163  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        151         1         4       163  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         56       146         4       163  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         56       146         4       163  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos         56       146         4       163  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         23       146         4       163  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         32         2         5       147  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         58         2         5       147  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         32         2         5       164  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         32         2         5       164  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         58         2         5       164  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         58         2         5       164  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        152         2         5       164  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        136       147         5       164  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        136       147         5       164  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos        136       147         5       164  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         29       147         5       164  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         33         3         6       145  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         59         3         6       145  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         33         3         6       165  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         33         3         6       165  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         59         3         6       165  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         59         3         6       165  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        153         3         6       165  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         55       145         6       165  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         55       145         6       165  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos         55       145         6       165  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         22       145         6       165  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         40        22         7        60  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         41        23         8        61  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         42        29         9        62  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         13         7        10        63  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        10        63  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        10        63  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         13         7        10        65  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        10        65  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        10        65  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         13         7        10        66  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        10        66  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        10        66  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         14         8        11        73  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        11        73  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        11        73  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         14         8        11        76  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        11        76  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        11        76  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         14         8        11        77  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        11        77  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        11        77  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         15         9        12        78  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        12        78  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        12        78  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         15         9        12        79  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        12        79  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        12        79  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         15         9        12        80  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        12        80  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        12        80  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         10         7        13        72  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        13        72  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        13        72  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         10         7        13        74  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        13        74  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        13        74  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         10         7        13        75  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        13        75  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        13        75  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         11         8        14        64  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        14        64  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        14        64  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         11         8        14        67  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        14        67  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        14        67  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         11         8        14        68  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        14        68  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        14        68  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         12         9        15        69  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        15        69  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         46        43        16        84  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         48        45        18        88  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         48        45        18        89  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         61         8        23       146  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         49        19        24        95  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         27        19        24        97  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         49        19        24        98  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        24        98  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        25        96  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         50        20        25        96  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        25        96  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        25        99  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         91        20        25       100  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         30        21        26       102  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         51        21        26       102  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         30        21        26       103  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         51        21        26       103  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        26       103  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         49        19        27       104  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         24        19        27       106  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         49        19        27       106  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        27       106  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         24        19        27       107  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         49        19        27       107  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        27       107  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        28       105  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         50        20        28       105  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        28       105  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        28       108  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         50        20        28       108  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        28       108  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        28       109  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         50        20        28       109  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        28       109  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         12         9        29        42  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         15         9        29        42  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         12         9        29       137  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         15         9        29       137  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        29       137  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         15         9        29       147  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        29       147  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        30       110  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         51        21        30       110  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        30       110  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        30       111  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         51        21        30       111  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        30       111  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        30       112  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         51        21        30       112  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        30       112  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          4         1        31        34  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          4         1        31        37  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          4         1        31       113  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         57         1        31       113  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          5         2        32        35  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          5         2        32        38  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          5         2        32       114  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         58         2        32       114  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          6         3        33        36  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          6         3        33        39  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          6         3        33       115  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         59         3        33       115  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        34       116  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31        34       116  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        34       116  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        34       118  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31        34       118  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        34       118  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        34       119  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31        34       119  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        34       119  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        35       117  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32        35       117  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        35       117  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        35       120  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32        35       120  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        35       120  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        35       121  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32        35       121  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        35       121  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        36       122  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33        36       122  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        36       122  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        36       123  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33        36       123  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        36       123  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        36       124  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33        36       124  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        36       124  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        37       125  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         34        31        37       125  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        37       125  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        37       127  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         34        31        37       127  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        37       127  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        37       128  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         34        31        37       128  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        37       128  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        38       126  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         35        32        38       126  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        38       126  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        38       129  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         35        32        38       129  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        38       129  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        38       130  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         35        32        38       130  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        38       130  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        39       131  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         36        33        39       131  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        39       131  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        39       132  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         36        33        39       132  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        39       132  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        39       133  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         36        33        39       133  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        39       133  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos          7        22        40       154  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         93        22        40       154  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         93        22        40       154  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        145        22        40       154  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        145        22        40       154  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          7        22        40       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         93        22        40       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        145        22        40       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos          8        23        41       155  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos          8        23        41       155  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         94        23        41       155  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         94        23        41       155  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        146        23        41       155  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        146        23        41       155  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          8        23        41       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         94        23        41       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        146        23        41       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos          9        29        42       156  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos          9        29        42       156  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        137        29        42       156  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        137        29        42       156  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        147        29        42       156  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        147        29        42       156  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          9        29        42       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        137        29        42       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        147        29        42       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         81        16        43       134  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         83        16        43       134  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         84        16        43       134  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         81        16        43       166  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         83        16        43       166  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         84        16        43       166  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        148        46        43       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        157        46        43       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         82        17        44       135  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         85        17        44       135  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         86        17        44       135  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         82        17        44       167  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         85        17        44       167  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         86        17        44       167  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        149        47        44       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        158        47        44       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         87        18        45       138  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         88        18        45       138  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         89        18        45       138  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         87        18        45       168  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         88        18        45       168  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         89        18        45       168  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        150        48        45       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        159        48        45       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         16        43        46       148  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        134        43        46       148  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         16        43        46       157  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         16        43        46       157  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        134        43        46       157  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        134        43        46       157  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        141       148        46       157  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        141       148        46       157  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos        141       148        46       157  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         49       148        46       157  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         17        44        47       149  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        135        44        47       149  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         17        44        47       158  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         17        44        47       158  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        135        44        47       158  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        135        44        47       158  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        142       149        47       158  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        142       149        47       158  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos        142       149        47       158  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         50       149        47       158  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         18        45        48       150  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        138        45        48       150  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         18        45        48       159  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         18        45        48       159  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        138        45        48       159  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        138        45        48       159  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        139       150        48       159  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        139       150        48       159  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos        139       150        48       159  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         51       150        48       159  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         24        19        49        52  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         27        19        49        52  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         24        19        49       143  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         27        19        49       143  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        49       143  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         24        19        49       148  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         27        19        49       148  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        49       148  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        50        53  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        50        53  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        50       144  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        50       144  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        50       144  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        50       149  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        50       149  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        50       149  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        51        54  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         30        21        51        54  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        51       140  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         30        21        51       140  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        51       140  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        51       150  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         30        21        51       150  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        51       150  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         19        49        52       151  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        143        49        52       151  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        148        49        52       151  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         19        49        52       160  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         19        49        52       160  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        143        49        52       160  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        143        49        52       160  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        148        49        52       160  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        148        49        52       160  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          1       151        52       160  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         20        50        53       152  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        144        50        53       152  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        149        50        53       152  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         20        50        53       161  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         20        50        53       161  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        144        50        53       161  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        144        50        53       161  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        149        50        53       161  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        149        50        53       161  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          2       152        53       161  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         21        51        54       153  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        140        51        54       153  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        150        51        54       153  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         21        51        54       162  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         21        51        54       162  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        140        51        54       162  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        140        51        54       162  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        150        51        54       162  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        150        51        54       162  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          3       153        54       162  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          3         6       145        55  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          3         6       145        22  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          7        22       145        55  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         40        22       145        55  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos          1         4       146        56  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          1         4       146        23  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          8        23       146        56  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         41        23       146        56  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos          2         5       147       136  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          2         5       147        29  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          9        29       147       136  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         42        29       147       136  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         43        46       148       141  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         43        46       148        49  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         19        49       148       141  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         52        49       148       141  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         44        47       149       142  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         44        47       149        50  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         20        50       149       142  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         53        50       149       142  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         45        48       150       139  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         45        48       150        51  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         21        51       150       139  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         54        51       150       139  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos          4         1       151        52  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos         31         1       151        52  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos          5         2       152        53  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos         32         2       152        53  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos          6         3       153        54  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos         33         3       153        54  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22        40       166        43  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         23        41       167        44  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         29        42       168        45  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        146         1         4       163  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        147         2         5       164  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        145         3         6       165  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos         22       166        40       154  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos         23       167        41       155  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos         29       168        42       156  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        148        43        46       157  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        149        44        47       158  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        150        45        48       159  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        151        49        52       160  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        152        50        53       161  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        153        51        54       162  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos          6        22       145        55  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos          4        23       146        56  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos          5        29       147       136  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         46        49       148       141  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         47        50       149       142  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         48        51       150       139  1.0000E+00  180.000000    2.000000    0.000000    0.000000

 molecular species type                  3


 name of species:             VM+K                                    

 number of molecules                     4

 number of atoms/sites                 169


 atomic characteristics:

                      site     name          mass        charge    repeat    freeze

                       210     CT          12.01000     0.27200         3         0
                       213     C           12.01000     0.47700         3         0
                       216     CT          12.01000    -0.01830         3         0
                       219     CT          12.01000    -0.13900         6         0
                       225     CT          12.01000    -0.14950         3         0
                       228     CT          12.01000    -0.01830         3         0
                       231     CT          12.01000    -0.07300         2         0
                       233     CT          12.01000    -0.13900         5         0
                       238     CT          12.01000    -0.07300         1         0
                       239     CT          12.01000    -0.13900         1         0
                       240     CT          12.01000    -0.01830         3         0
                       243     CT          12.01000    -0.13900         6         0
                       249     C           12.01000     0.69200         3         0
                       252     CT          12.01000     0.27200         3         0
                       255     C           12.01000     0.47700         3         0
                       258     CT          12.01000    -0.07300         3         0
                       261     C           12.01000     0.69200         3         0
                       264     H            1.00800     0.21100         2         0
                       266     HC           1.00800    -0.00900         3         0
                       269     HC           1.00800     0.03700         3         0
                       272     HC           1.00800     0.04730        18         0
                       290     HC           1.00800     0.05800         9         0
                       299     HC           1.00800     0.03700         3         0
                       302     HC           1.00800     0.05800         2         0
                       304     HC           1.00800     0.04730        18         0
                       322     HC           1.00800     0.03700         3         0
                       325     HC           1.00800     0.04730        18         0
                       343     HC           1.00800    -0.00900         2         0
                       345     H            1.00800     0.21100         1         0
                       346     HC           1.00800    -0.00900         1         0
                       347     HC           1.00800     0.05800         1         0
                       348     H            1.00800     0.21100         1         0
                       349     HC           1.00800     0.05800         1         0
                       350     H            1.00800     0.21100         2         0
                       352     HC           1.00800     0.05800         2         0
                       354     N           14.01000    -0.40100         6         0
                       360     OS          16.00000    -0.45500         3         0
                       363     Oe          16.00000    -0.41600         3         0
                       366     O           16.00000    -0.40500         3         0
                       369     Oe          16.00000    -0.41600         3         0
                       372     O           16.00000    -0.40500         3         0
                       375     OS          16.00000    -0.45500         3         0
                       378     K           39.00000     1.00000         1         0

 number of bond constraints            168


 constraint bond details:

                          index     index  bondlength

                              4         1    1.486105
                             31         1    1.523565
                             57         1    1.009680
                            151         1    1.442899
                             34        31    1.524913
                             37        31    1.506080
                            113        31    0.993719
                            116        34    0.992284
                            118        34    1.014433
                            119        34    0.992555
                            125        37    0.994283
                            127        37    1.010641
                            128        37    1.005550
                            163         4    1.244236
                            146         4    1.315488
                            146        56    1.001914
                            146        23    1.454486
                             94        23    1.008227
                             23         8    1.543823
                             61         8    0.999074
                             11         8    1.514619
                             14         8    1.501739
                             64        14    1.002998
                             67        14    1.005779
                             68        14    0.999233
                             73        11    0.986398
                             76        11    0.998101
                             77        11    0.985557
                             41        23    1.512212
                            155        41    1.233244
                            167        41    1.347607
                            167        44    1.461812
                            135        44    0.988338
                             44        17    1.524403
                             82        17    1.001773
                             85        17    0.980752
                             86        17    1.006294
                             47        44    1.514476
                            158        47    1.240752
                            149        47    1.335890
                            149       142    0.997261
                            149        50    1.462303
                            144        50    0.998004
                             50        20    1.513553
                             91        20    0.997102
                             25        20    1.539717
                             96        25    0.979453
                             99        25    0.980711
                            100        25    1.003605
                             28        20    1.531585
                            105        28    0.999707
                            108        28    1.000808
                            109        28    0.995455
                             53        50    1.509162
                            161        53    1.217565
                            152        53    1.344948
                            152         2    1.451880
                             58         2    0.998406
                             32         2    1.542298
                            114        32    0.994169
                             35        32    1.485713
                            117        35    1.002932
                            120        35    0.996168
                            121        35    1.002218
                             38        32    1.513793
                            126        38    0.987099
                            129        38    1.007039
                            130        38    0.998862
                              5         2    1.476429
                            164         5    1.245292
                            147         5    1.345528
                            147       136    1.000347
                            147        29    1.468647
                            137        29    0.994374
                             29         9    1.515361
                             62         9    1.008729
                             12         9    1.543147
                             78        12    1.007375
                             79        12    0.995093
                             80        12    1.011594
                             15         9    1.528393
                             69        15    0.998413
                             70        15    0.992463
                             71        15    1.003027
                             42        29    1.538416
                            156        42    1.196969
                            168        42    1.337440
                            168        45    1.454607
                            138        45    0.999003
                             45        18    1.539218
                             87        18    1.013893
                             88        18    0.992701
                             89        18    0.992267
                             48        45    1.536754
                            159        48    1.233537
                            150        48    1.345689
                            150       139    1.014450
                            150        51    1.478337
                            140        51    0.997726
                             51        21    1.532909
                             92        21    0.999932
                             26        21    1.517486
                            101        26    1.008826
                            102        26    0.993676
                            103        26    0.998177
                             30        21    1.516847
                            110        30    0.992335
                            111        30    0.995322
                            112        30    0.996005
                             54        51    1.518843
                            162        54    1.171709
                            153        54    1.340107
                            153         3    1.458518
                             59         3    1.000668
                             33         3    1.517590
                            115        33    0.994152
                             36        33    1.483032
                            122        36    0.986310
                            123        36    1.007546
                            124        36    1.007020
                             39        33    1.520240
                            131        39    1.004819
                            132        39    0.996229
                            133        39    0.991354
                              6         3    1.548029
                            165         6    1.222797
                            145         6    1.351446
                            145        55    0.990906
                            145        22    1.466169
                             93        22    1.004201
                             22         7    1.512640
                             60         7    1.002179
                             10         7    1.562525
                             63        10    0.980039
                             65        10    0.989969
                             66        10    1.015725
                             13         7    1.536684
                             72        13    1.010233
                             74        13    1.002323
                             75        13    1.008558
                             40        22    1.520833
                            154        40    1.210786
                            166        40    1.343005
                            166        43    1.470808
                            134        43    1.013113
                             43        16    1.527742
                             81        16    1.001291
                             83        16    0.999829
                             84        16    0.996005
                             46        43    1.544722
                            157        46    1.271581
                            148        46    1.283358
                            148       141    1.001623
                            148        49    1.464652
                            143        49    1.005979
                             49        19    1.539427
                             90        19    0.996794
                             24        19    1.551826
                             95        24    0.994511
                             97        24    0.984001
                             98        24    1.003867
                             27        19    1.476588
                            104        27    1.005209
                            106        27    1.002002
                            107        27    0.995524
                             52        49    1.509973
                            151        52    1.343128
                            160        52    1.206223

 number of bond angles                 312


 bond angle details:

                            key     index     index     index     f-const       angle

                           harm         4         1        31  1.2600E+02  111.100000    1.000000    0.000000    0.000000    0.000000
                           harm         4         1        57  7.0000E+01  109.500000    2.000000    0.000000    0.000000    0.000000
                           harm         4         1       151  1.4000E+02  109.500000    3.000000    0.000000    0.000000    0.000000
                           harm        31         1        57  7.0000E+01  109.500000    4.000000    0.000000    0.000000    0.000000
                           harm        31         1       151  1.0000E+02  109.500000    5.000000    0.000000    0.000000    0.000000
                           harm        57         1       151  7.0000E+01  109.500000    6.000000    0.000000    0.000000    0.000000
                           harm         5         2        32  1.2600E+02  111.100000    7.000000    0.000000    0.000000    0.000000
                           harm         5         2        58  7.0000E+01  109.500000    8.000000    0.000000    0.000000    0.000000
                           harm         5         2       152  1.4000E+02  109.500000    9.000000    0.000000    0.000000    0.000000
                           harm        32         2        58  7.0000E+01  109.500000   10.000000    0.000000    0.000000    0.000000
                           harm        32         2       152  1.0000E+02  109.500000   11.000000    0.000000    0.000000    0.000000
                           harm        58         2       152  7.0000E+01  109.500000   12.000000    0.000000    0.000000    0.000000
                           harm         6         3        33  1.2600E+02  111.100000   13.000000    0.000000    0.000000    0.000000
                           harm         6         3        59  7.0000E+01  109.500000   14.000000    0.000000    0.000000    0.000000
                           harm         6         3       153  1.4000E+02  109.500000   15.000000    0.000000    0.000000    0.000000
                           harm        33         3        59  7.0000E+01  109.500000   16.000000    0.000000    0.000000    0.000000
                           harm        33         3       153  1.0000E+02  109.500000   17.000000    0.000000    0.000000    0.000000
                           harm        59         3       153  7.0000E+01  109.500000   18.000000    0.000000    0.000000    0.000000
                           harm         1         4       146  1.4000E+02  116.600000   19.000000    0.000000    0.000000    0.000000
                           harm         1         4       163  1.6000E+02  120.400000   20.000000    0.000000    0.000000    0.000000
                           harm       146         4       163  1.6000E+02  122.900000   21.000000    0.000000    0.000000    0.000000
                           harm         2         5       147  1.4000E+02  116.600000   22.000000    0.000000    0.000000    0.000000
                           harm         2         5       164  1.6000E+02  120.400000   23.000000    0.000000    0.000000    0.000000
                           harm       147         5       164  1.6000E+02  122.900000   24.000000    0.000000    0.000000    0.000000
                           harm         3         6       145  1.4000E+02  116.600000   25.000000    0.000000    0.000000    0.000000
                           harm         3         6       165  1.6000E+02  120.400000   26.000000    0.000000    0.000000    0.000000
                           harm       145         6       165  1.6000E+02  122.900000   27.000000    0.000000    0.000000    0.000000
                           harm        10         7        13  8.0000E+01  109.500000   28.000000    0.000000    0.000000    0.000000
                           harm        10         7        22  8.0000E+01  109.500000   29.000000    0.000000    0.000000    0.000000
                           harm        10         7        60  7.0000E+01  109.500000   30.000000    0.000000    0.000000    0.000000
                           harm        13         7        22  8.0000E+01  109.500000   31.000000    0.000000    0.000000    0.000000
                           harm        13         7        60  7.0000E+01  109.500000   32.000000    0.000000    0.000000    0.000000
                           harm        22         7        60  7.0000E+01  109.500000   33.000000    0.000000    0.000000    0.000000
                           harm        11         8        14  8.0000E+01  109.500000   34.000000    0.000000    0.000000    0.000000
                           harm        11         8        23  8.0000E+01  109.500000   35.000000    0.000000    0.000000    0.000000
                           harm        11         8        61  7.0000E+01  109.500000   36.000000    0.000000    0.000000    0.000000
                           harm        14         8        23  8.0000E+01  109.500000   37.000000    0.000000    0.000000    0.000000
                           harm        14         8        61  7.0000E+01  109.500000   38.000000    0.000000    0.000000    0.000000
                           harm        23         8        61  7.0000E+01  109.500000   39.000000    0.000000    0.000000    0.000000
                           harm        12         9        15  8.0000E+01  109.500000   40.000000    0.000000    0.000000    0.000000
                           harm        12         9        29  8.0000E+01  109.500000   41.000000    0.000000    0.000000    0.000000
                           harm        12         9        62  7.0000E+01  109.500000   42.000000    0.000000    0.000000    0.000000
                           harm        15         9        29  8.0000E+01  109.500000   43.000000    0.000000    0.000000    0.000000
                           harm        15         9        62  7.0000E+01  109.500000   44.000000    0.000000    0.000000    0.000000
                           harm        29         9        62  7.0000E+01  109.500000   45.000000    0.000000    0.000000    0.000000
                           harm         7        10        63  7.0000E+01  109.500000   46.000000    0.000000    0.000000    0.000000
                           harm         7        10        65  7.0000E+01  109.500000   47.000000    0.000000    0.000000    0.000000
                           harm         7        10        66  7.0000E+01  109.500000   48.000000    0.000000    0.000000    0.000000
                           harm        63        10        65  7.0000E+01  109.500000   49.000000    0.000000    0.000000    0.000000
                           harm        63        10        66  7.0000E+01  109.500000   50.000000    0.000000    0.000000    0.000000
                           harm        65        10        66  7.0000E+01  109.500000   51.000000    0.000000    0.000000    0.000000
                           harm         8        11        73  7.0000E+01  109.500000   52.000000    0.000000    0.000000    0.000000
                           harm         8        11        76  7.0000E+01  109.500000   53.000000    0.000000    0.000000    0.000000
                           harm         8        11        77  7.0000E+01  109.500000   54.000000    0.000000    0.000000    0.000000
                           harm        73        11        76  7.0000E+01  109.500000   55.000000    0.000000    0.000000    0.000000
                           harm        73        11        77  7.0000E+01  109.500000   56.000000    0.000000    0.000000    0.000000
                           harm        76        11        77  7.0000E+01  109.500000   57.000000    0.000000    0.000000    0.000000
                           harm         9        12        78  7.0000E+01  109.500000   58.000000    0.000000    0.000000    0.000000
                           harm         9        12        79  7.0000E+01  109.500000   59.000000    0.000000    0.000000    0.000000
                           harm         9        12        80  7.0000E+01  109.500000   60.000000    0.000000    0.000000    0.000000
                           harm        78        12        79  7.0000E+01  109.500000   61.000000    0.000000    0.000000    0.000000
                           harm        78        12        80  7.0000E+01  109.500000   62.000000    0.000000    0.000000    0.000000
                           harm        79        12        80  7.0000E+01  109.500000   63.000000    0.000000    0.000000    0.000000
                           harm         7        13        72  7.0000E+01  109.500000   64.000000    0.000000    0.000000    0.000000
                           harm         7        13        74  7.0000E+01  109.500000   65.000000    0.000000    0.000000    0.000000
                           harm         7        13        75  7.0000E+01  109.500000   66.000000    0.000000    0.000000    0.000000
                           harm        72        13        74  7.0000E+01  109.500000   67.000000    0.000000    0.000000    0.000000
                           harm        72        13        75  7.0000E+01  109.500000   68.000000    0.000000    0.000000    0.000000
                           harm        74        13        75  7.0000E+01  109.500000   69.000000    0.000000    0.000000    0.000000
                           harm         8        14        64  7.0000E+01  109.500000   70.000000    0.000000    0.000000    0.000000
                           harm         8        14        67  7.0000E+01  109.500000   71.000000    0.000000    0.000000    0.000000
                           harm         8        14        68  7.0000E+01  109.500000   72.000000    0.000000    0.000000    0.000000
                           harm        64        14        67  7.0000E+01  109.500000   73.000000    0.000000    0.000000    0.000000
                           harm        64        14        68  7.0000E+01  109.500000   74.000000    0.000000    0.000000    0.000000
                           harm        67        14        68  7.0000E+01  109.500000   75.000000    0.000000    0.000000    0.000000
                           harm         9        15        69  7.0000E+01  109.500000   76.000000    0.000000    0.000000    0.000000
                           harm         9        15        70  7.0000E+01  109.500000   77.000000    0.000000    0.000000    0.000000
                           harm         9        15        71  7.0000E+01  109.500000   78.000000    0.000000    0.000000    0.000000
                           harm        69        15        70  7.0000E+01  109.500000   79.000000    0.000000    0.000000    0.000000
                           harm        69        15        71  7.0000E+01  109.500000   80.000000    0.000000    0.000000    0.000000
                           harm        70        15        71  7.0000E+01  109.500000   81.000000    0.000000    0.000000    0.000000
                           harm        43        16        81  7.0000E+01  109.500000   82.000000    0.000000    0.000000    0.000000
                           harm        43        16        83  7.0000E+01  109.500000   83.000000    0.000000    0.000000    0.000000
                           harm        43        16        84  7.0000E+01  109.500000   84.000000    0.000000    0.000000    0.000000
                           harm        81        16        83  7.0000E+01  109.500000   85.000000    0.000000    0.000000    0.000000
                           harm        81        16        84  7.0000E+01  109.500000   86.000000    0.000000    0.000000    0.000000
                           harm        83        16        84  7.0000E+01  109.500000   87.000000    0.000000    0.000000    0.000000
                           harm        44        17        82  7.0000E+01  109.500000   88.000000    0.000000    0.000000    0.000000
                           harm        44        17        85  7.0000E+01  109.500000   89.000000    0.000000    0.000000    0.000000
                           harm        44        17        86  7.0000E+01  109.500000   90.000000    0.000000    0.000000    0.000000
                           harm        82        17        85  7.0000E+01  109.500000   91.000000    0.000000    0.000000    0.000000
                           harm        82        17        86  7.0000E+01  109.500000   92.000000    0.000000    0.000000    0.000000
                           harm        85        17        86  7.0000E+01  109.500000   93.000000    0.000000    0.000000    0.000000
                           harm        45        18        87  7.0000E+01  109.500000   94.000000    0.000000    0.000000    0.000000
                           harm        45        18        88  7.0000E+01  109.500000   95.000000    0.000000    0.000000    0.000000
                           harm        45        18        89  7.0000E+01  109.500000   96.000000    0.000000    0.000000    0.000000
                           harm        87        18        88  7.0000E+01  109.500000   97.000000    0.000000    0.000000    0.000000
                           harm        87        18        89  7.0000E+01  109.500000   98.000000    0.000000    0.000000    0.000000
                           harm        88        18        89  7.0000E+01  109.500000   99.000000    0.000000    0.000000    0.000000
                           harm        24        19        27  8.0000E+01  109.500000  100.000000    0.000000    0.000000    0.000000
                           harm        24        19        49  8.0000E+01  109.500000  101.000000    0.000000    0.000000    0.000000
                           harm        24        19        90  7.0000E+01  109.500000  102.000000    0.000000    0.000000    0.000000
                           harm        27        19        49  8.0000E+01  109.500000  103.000000    0.000000    0.000000    0.000000
                           harm        27        19        90  7.0000E+01  109.500000  104.000000    0.000000    0.000000    0.000000
                           harm        49        19        90  7.0000E+01  109.500000  105.000000    0.000000    0.000000    0.000000
                           harm        25        20        28  8.0000E+01  109.500000  106.000000    0.000000    0.000000    0.000000
                           harm        25        20        50  8.0000E+01  109.500000  107.000000    0.000000    0.000000    0.000000
                           harm        25        20        91  7.0000E+01  109.500000  108.000000    0.000000    0.000000    0.000000
                           harm        28        20        50  8.0000E+01  109.500000  109.000000    0.000000    0.000000    0.000000
                           harm        28        20        91  7.0000E+01  109.500000  110.000000    0.000000    0.000000    0.000000
                           harm        50        20        91  7.0000E+01  109.500000  111.000000    0.000000    0.000000    0.000000
                           harm        26        21        30  8.0000E+01  109.500000  112.000000    0.000000    0.000000    0.000000
                           harm        26        21        51  8.0000E+01  109.500000  113.000000    0.000000    0.000000    0.000000
                           harm        26        21        92  7.0000E+01  109.500000  114.000000    0.000000    0.000000    0.000000
                           harm        30        21        51  8.0000E+01  109.500000  115.000000    0.000000    0.000000    0.000000
                           harm        30        21        92  7.0000E+01  109.500000  116.000000    0.000000    0.000000    0.000000
                           harm        51        21        92  7.0000E+01  109.500000  117.000000    0.000000    0.000000    0.000000
                           harm         7        22        40  1.2600E+02  111.100000  118.000000    0.000000    0.000000    0.000000
                           harm         7        22        93  7.0000E+01  109.500000  119.000000    0.000000    0.000000    0.000000
                           harm         7        22       145  1.6000E+02  109.700000  120.000000    0.000000    0.000000    0.000000
                           harm        40        22        93  7.0000E+01  109.500000  121.000000    0.000000    0.000000    0.000000
                           harm        40        22       145  1.2600E+02  110.100000  122.000000    0.000000    0.000000    0.000000
                           harm        93        22       145  7.0000E+01  109.500000  123.000000    0.000000    0.000000    0.000000
                           harm         8        23        41  1.2600E+02  111.100000  124.000000    0.000000    0.000000    0.000000
                           harm         8        23        94  7.0000E+01  109.500000  125.000000    0.000000    0.000000    0.000000
                           harm         8        23       146  1.6000E+02  109.700000  126.000000    0.000000    0.000000    0.000000
                           harm        41        23        94  7.0000E+01  109.500000  127.000000    0.000000    0.000000    0.000000
                           harm        41        23       146  1.2600E+02  110.100000  128.000000    0.000000    0.000000    0.000000
                           harm        94        23       146  7.0000E+01  109.500000  129.000000    0.000000    0.000000    0.000000
                           harm        19        24        95  7.0000E+01  109.500000  130.000000    0.000000    0.000000    0.000000
                           harm        19        24        97  7.0000E+01  109.500000  131.000000    0.000000    0.000000    0.000000
                           harm        19        24        98  7.0000E+01  109.500000  132.000000    0.000000    0.000000    0.000000
                           harm        95        24        97  7.0000E+01  109.500000  133.000000    0.000000    0.000000    0.000000
                           harm        95        24        98  7.0000E+01  109.500000  134.000000    0.000000    0.000000    0.000000
                           harm        97        24        98  7.0000E+01  109.500000  135.000000    0.000000    0.000000    0.000000
                           harm        20        25        96  7.0000E+01  109.500000  136.000000    0.000000    0.000000    0.000000
                           harm        20        25        99  7.0000E+01  109.500000  137.000000    0.000000    0.000000    0.000000
                           harm        20        25       100  7.0000E+01  109.500000  138.000000    0.000000    0.000000    0.000000
                           harm        96        25        99  7.0000E+01  109.500000  139.000000    0.000000    0.000000    0.000000
                           harm        96        25       100  7.0000E+01  109.500000  140.000000    0.000000    0.000000    0.000000
                           harm        99        25       100  7.0000E+01  109.500000  141.000000    0.000000    0.000000    0.000000
                           harm        21        26       101  7.0000E+01  109.500000  142.000000    0.000000    0.000000    0.000000
                           harm        21        26       102  7.0000E+01  109.500000  143.000000    0.000000    0.000000    0.000000
                           harm        21        26       103  7.0000E+01  109.500000  144.000000    0.000000    0.000000    0.000000
                           harm       101        26       102  7.0000E+01  109.500000  145.000000    0.000000    0.000000    0.000000
                           harm       101        26       103  7.0000E+01  109.500000  146.000000    0.000000    0.000000    0.000000
                           harm       102        26       103  7.0000E+01  109.500000  147.000000    0.000000    0.000000    0.000000
                           harm        19        27       104  7.0000E+01  109.500000  148.000000    0.000000    0.000000    0.000000
                           harm        19        27       106  7.0000E+01  109.500000  149.000000    0.000000    0.000000    0.000000
                           harm        19        27       107  7.0000E+01  109.500000  150.000000    0.000000    0.000000    0.000000
                           harm       104        27       106  7.0000E+01  109.500000  151.000000    0.000000    0.000000    0.000000
                           harm       104        27       107  7.0000E+01  109.500000  152.000000    0.000000    0.000000    0.000000
                           harm       106        27       107  7.0000E+01  109.500000  153.000000    0.000000    0.000000    0.000000
                           harm        20        28       105  7.0000E+01  109.500000  154.000000    0.000000    0.000000    0.000000
                           harm        20        28       108  7.0000E+01  109.500000  155.000000    0.000000    0.000000    0.000000
                           harm        20        28       109  7.0000E+01  109.500000  156.000000    0.000000    0.000000    0.000000
                           harm       105        28       108  7.0000E+01  109.500000  157.000000    0.000000    0.000000    0.000000
                           harm       105        28       109  7.0000E+01  109.500000  158.000000    0.000000    0.000000    0.000000
                           harm       108        28       109  7.0000E+01  109.500000  159.000000    0.000000    0.000000    0.000000
                           harm         9        29        42  1.2600E+02  111.100000  160.000000    0.000000    0.000000    0.000000
                           harm         9        29       137  7.0000E+01  109.500000  161.000000    0.000000    0.000000    0.000000
                           harm         9        29       147  1.6000E+02  109.700000  162.000000    0.000000    0.000000    0.000000
                           harm        42        29       137  7.0000E+01  109.500000  163.000000    0.000000    0.000000    0.000000
                           harm        42        29       147  1.2600E+02  110.100000  164.000000    0.000000    0.000000    0.000000
                           harm       137        29       147  7.0000E+01  109.500000  165.000000    0.000000    0.000000    0.000000
                           harm        21        30       110  7.0000E+01  109.500000  166.000000    0.000000    0.000000    0.000000
                           harm        21        30       111  7.0000E+01  109.500000  167.000000    0.000000    0.000000    0.000000
                           harm        21        30       112  7.0000E+01  109.500000  168.000000    0.000000    0.000000    0.000000
                           harm       110        30       111  7.0000E+01  109.500000  169.000000    0.000000    0.000000    0.000000
                           harm       110        30       112  7.0000E+01  109.500000  170.000000    0.000000    0.000000    0.000000
                           harm       111        30       112  7.0000E+01  109.500000  171.000000    0.000000    0.000000    0.000000
                           harm         1        31        34  8.0000E+01  109.500000  172.000000    0.000000    0.000000    0.000000
                           harm         1        31        37  8.0000E+01  109.500000  173.000000    0.000000    0.000000    0.000000
                           harm         1        31       113  7.0000E+01  109.500000  174.000000    0.000000    0.000000    0.000000
                           harm        34        31        37  8.0000E+01  109.500000  175.000000    0.000000    0.000000    0.000000
                           harm        34        31       113  7.0000E+01  109.500000  176.000000    0.000000    0.000000    0.000000
                           harm        37        31       113  7.0000E+01  109.500000  177.000000    0.000000    0.000000    0.000000
                           harm         2        32        35  8.0000E+01  109.500000  178.000000    0.000000    0.000000    0.000000
                           harm         2        32        38  8.0000E+01  109.500000  179.000000    0.000000    0.000000    0.000000
                           harm         2        32       114  7.0000E+01  109.500000  180.000000    0.000000    0.000000    0.000000
                           harm        35        32        38  8.0000E+01  109.500000  181.000000    0.000000    0.000000    0.000000
                           harm        35        32       114  7.0000E+01  109.500000  182.000000    0.000000    0.000000    0.000000
                           harm        38        32       114  7.0000E+01  109.500000  183.000000    0.000000    0.000000    0.000000
                           harm         3        33        36  8.0000E+01  109.500000  184.000000    0.000000    0.000000    0.000000
                           harm         3        33        39  8.0000E+01  109.500000  185.000000    0.000000    0.000000    0.000000
                           harm         3        33       115  7.0000E+01  109.500000  186.000000    0.000000    0.000000    0.000000
                           harm        36        33        39  8.0000E+01  109.500000  187.000000    0.000000    0.000000    0.000000
                           harm        36        33       115  7.0000E+01  109.500000  188.000000    0.000000    0.000000    0.000000
                           harm        39        33       115  7.0000E+01  109.500000  189.000000    0.000000    0.000000    0.000000
                           harm        31        34       116  7.0000E+01  109.500000  190.000000    0.000000    0.000000    0.000000
                           harm        31        34       118  7.0000E+01  109.500000  191.000000    0.000000    0.000000    0.000000
                           harm        31        34       119  7.0000E+01  109.500000  192.000000    0.000000    0.000000    0.000000
                           harm       116        34       118  7.0000E+01  109.500000  193.000000    0.000000    0.000000    0.000000
                           harm       116        34       119  7.0000E+01  109.500000  194.000000    0.000000    0.000000    0.000000
                           harm       118        34       119  7.0000E+01  109.500000  195.000000    0.000000    0.000000    0.000000
                           harm        32        35       117  7.0000E+01  109.500000  196.000000    0.000000    0.000000    0.000000
                           harm        32        35       120  7.0000E+01  109.500000  197.000000    0.000000    0.000000    0.000000
                           harm        32        35       121  7.0000E+01  109.500000  198.000000    0.000000    0.000000    0.000000
                           harm       117        35       120  7.0000E+01  109.500000  199.000000    0.000000    0.000000    0.000000
                           harm       117        35       121  7.0000E+01  109.500000  200.000000    0.000000    0.000000    0.000000
                           harm       120        35       121  7.0000E+01  109.500000  201.000000    0.000000    0.000000    0.000000
                           harm        33        36       122  7.0000E+01  109.500000  202.000000    0.000000    0.000000    0.000000
                           harm        33        36       123  7.0000E+01  109.500000  203.000000    0.000000    0.000000    0.000000
                           harm        33        36       124  7.0000E+01  109.500000  204.000000    0.000000    0.000000    0.000000
                           harm       122        36       123  7.0000E+01  109.500000  205.000000    0.000000    0.000000    0.000000
                           harm       122        36       124  7.0000E+01  109.500000  206.000000    0.000000    0.000000    0.000000
                           harm       123        36       124  7.0000E+01  109.500000  207.000000    0.000000    0.000000    0.000000
                           harm        31        37       125  7.0000E+01  109.500000  208.000000    0.000000    0.000000    0.000000
                           harm        31        37       127  7.0000E+01  109.500000  209.000000    0.000000    0.000000    0.000000
                           harm        31        37       128  7.0000E+01  109.500000  210.000000    0.000000    0.000000    0.000000
                           harm       125        37       127  7.0000E+01  109.500000  211.000000    0.000000    0.000000    0.000000
                           harm       125        37       128  7.0000E+01  109.500000  212.000000    0.000000    0.000000    0.000000
                           harm       127        37       128  7.0000E+01  109.500000  213.000000    0.000000    0.000000    0.000000
                           harm        32        38       126  7.0000E+01  109.500000  214.000000    0.000000    0.000000    0.000000
                           harm        32        38       129  7.0000E+01  109.500000  215.000000    0.000000    0.000000    0.000000
                           harm        32        38       130  7.0000E+01  109.500000  216.000000    0.000000    0.000000    0.000000
                           harm       126        38       129  7.0000E+01  109.500000  217.000000    0.000000    0.000000    0.000000
                           harm       126        38       130  7.0000E+01  109.500000  218.000000    0.000000    0.000000    0.000000
                           harm       129        38       130  7.0000E+01  109.500000  219.000000    0.000000    0.000000    0.000000
                           harm        33        39       131  7.0000E+01  109.500000  220.000000    0.000000    0.000000    0.000000
                           harm        33        39       132  7.0000E+01  109.500000  221.000000    0.000000    0.000000    0.000000
                           harm        33        39       133  7.0000E+01  109.500000  222.000000    0.000000    0.000000    0.000000
                           harm       131        39       132  7.0000E+01  109.500000  223.000000    0.000000    0.000000    0.000000
                           harm       131        39       133  7.0000E+01  109.500000  224.000000    0.000000    0.000000    0.000000
                           harm       132        39       133  7.0000E+01  109.500000  225.000000    0.000000    0.000000    0.000000
                           harm        22        40       154  1.6000E+02  120.400000  226.000000    0.000000    0.000000    0.000000
                           harm        22        40       166  1.4000E+02  117.000000  227.000000    0.000000    0.000000    0.000000
                           harm       154        40       166  1.4000E+02  123.000000  228.000000    0.000000    0.000000    0.000000
                           harm        23        41       155  1.6000E+02  120.400000  229.000000    0.000000    0.000000    0.000000
                           harm        23        41       167  1.4000E+02  117.000000  230.000000    0.000000    0.000000    0.000000
                           harm       155        41       167  1.4000E+02  123.000000  231.000000    0.000000    0.000000    0.000000
                           harm        29        42       156  1.6000E+02  120.400000  232.000000    0.000000    0.000000    0.000000
                           harm        29        42       168  1.4000E+02  117.000000  233.000000    0.000000    0.000000    0.000000
                           harm       156        42       168  1.4000E+02  123.000000  234.000000    0.000000    0.000000    0.000000
                           harm        16        43        46  1.2600E+02  111.100000  235.000000    0.000000    0.000000    0.000000
                           harm        16        43       134  7.0000E+01  109.500000  236.000000    0.000000    0.000000    0.000000
                           harm        16        43       166  1.0000E+02  109.500000  237.000000    0.000000    0.000000    0.000000
                           harm        46        43       134  7.0000E+01  109.500000  238.000000    0.000000    0.000000    0.000000
                           harm        46        43       166  1.4000E+02  109.500000  239.000000    0.000000    0.000000    0.000000
                           harm       134        43       166  7.0000E+01  109.500000  240.000000    0.000000    0.000000    0.000000
                           harm        17        44        47  1.2600E+02  111.100000  241.000000    0.000000    0.000000    0.000000
                           harm        17        44       135  7.0000E+01  109.500000  242.000000    0.000000    0.000000    0.000000
                           harm        17        44       167  1.0000E+02  109.500000  243.000000    0.000000    0.000000    0.000000
                           harm        47        44       135  7.0000E+01  109.500000  244.000000    0.000000    0.000000    0.000000
                           harm        47        44       167  1.4000E+02  109.500000  245.000000    0.000000    0.000000    0.000000
                           harm       135        44       167  7.0000E+01  109.500000  246.000000    0.000000    0.000000    0.000000
                           harm        18        45        48  1.2600E+02  111.100000  247.000000    0.000000    0.000000    0.000000
                           harm        18        45       138  7.0000E+01  109.500000  248.000000    0.000000    0.000000    0.000000
                           harm        18        45       168  1.0000E+02  109.500000  249.000000    0.000000    0.000000    0.000000
                           harm        48        45       138  7.0000E+01  109.500000  250.000000    0.000000    0.000000    0.000000
                           harm        48        45       168  1.4000E+02  109.500000  251.000000    0.000000    0.000000    0.000000
                           harm       138        45       168  7.0000E+01  109.500000  252.000000    0.000000    0.000000    0.000000
                           harm        43        46       148  1.4000E+02  116.600000  253.000000    0.000000    0.000000    0.000000
                           harm        43        46       157  1.6000E+02  120.400000  254.000000    0.000000    0.000000    0.000000
                           harm       148        46       157  1.6000E+02  122.900000  255.000000    0.000000    0.000000    0.000000
                           harm        44        47       149  1.4000E+02  116.600000  256.000000    0.000000    0.000000    0.000000
                           harm        44        47       158  1.6000E+02  120.400000  257.000000    0.000000    0.000000    0.000000
                           harm       149        47       158  1.6000E+02  122.900000  258.000000    0.000000    0.000000    0.000000
                           harm        45        48       150  1.4000E+02  116.600000  259.000000    0.000000    0.000000    0.000000
                           harm        45        48       159  1.6000E+02  120.400000  260.000000    0.000000    0.000000    0.000000
                           harm       150        48       159  1.6000E+02  122.900000  261.000000    0.000000    0.000000    0.000000
                           harm        19        49        52  1.2600E+02  111.100000  262.000000    0.000000    0.000000    0.000000
                           harm        19        49       143  7.0000E+01  109.500000  263.000000    0.000000    0.000000    0.000000
                           harm        19        49       148  1.6000E+02  109.700000  264.000000    0.000000    0.000000    0.000000
                           harm        52        49       143  7.0000E+01  109.500000  265.000000    0.000000    0.000000    0.000000
                           harm        52        49       148  1.2600E+02  110.100000  266.000000    0.000000    0.000000    0.000000
                           harm       143        49       148  7.0000E+01  109.500000  267.000000    0.000000    0.000000    0.000000
                           harm        20        50        53  1.2600E+02  111.100000  268.000000    0.000000    0.000000    0.000000
                           harm        20        50       144  7.0000E+01  109.500000  269.000000    0.000000    0.000000    0.000000
                           harm        20        50       149  1.6000E+02  109.700000  270.000000    0.000000    0.000000    0.000000
                           harm        53        50       144  7.0000E+01  109.500000  271.000000    0.000000    0.000000    0.000000
                           harm        53        50       149  1.2600E+02  110.100000  272.000000    0.000000    0.000000    0.000000
                           harm       144        50       149  7.0000E+01  109.500000  273.000000    0.000000    0.000000    0.000000
                           harm        21        51        54  1.2600E+02  111.100000  274.000000    0.000000    0.000000    0.000000
                           harm        21        51       140  7.0000E+01  109.500000  275.000000    0.000000    0.000000    0.000000
                           harm        21        51       150  1.6000E+02  109.700000  276.000000    0.000000    0.000000    0.000000
                           harm        54        51       140  7.0000E+01  109.500000  277.000000    0.000000    0.000000    0.000000
                           harm        54        51       150  1.2600E+02  110.100000  278.000000    0.000000    0.000000    0.000000
                           harm       140        51       150  7.0000E+01  109.500000  279.000000    0.000000    0.000000    0.000000
                           harm        49        52       151  1.4000E+02  117.000000  280.000000    0.000000    0.000000    0.000000
                           harm        49        52       160  1.6000E+02  120.400000  281.000000    0.000000    0.000000    0.000000
                           harm       151        52       160  1.4000E+02  123.000000  282.000000    0.000000    0.000000    0.000000
                           harm        50        53       152  1.4000E+02  117.000000  283.000000    0.000000    0.000000    0.000000
                           harm        50        53       161  1.6000E+02  120.400000  284.000000    0.000000    0.000000    0.000000
                           harm       152        53       161  1.4000E+02  123.000000  285.000000    0.000000    0.000000    0.000000
                           harm        51        54       153  1.4000E+02  117.000000  286.000000    0.000000    0.000000    0.000000
                           harm        51        54       162  1.6000E+02  120.400000  287.000000    0.000000    0.000000    0.000000
                           harm       153        54       162  1.4000E+02  123.000000  288.000000    0.000000    0.000000    0.000000
                           harm         6       145        55  7.0000E+01  119.800000  289.000000    0.000000    0.000000    0.000000
                           harm         6       145        22  1.0000E+02  121.900000  290.000000    0.000000    0.000000    0.000000
                           harm        22       145        55  7.6000E+01  118.400000  291.000000    0.000000    0.000000    0.000000
                           harm         4       146        56  7.0000E+01  119.800000  292.000000    0.000000    0.000000    0.000000
                           harm         4       146        23  1.0000E+02  121.900000  293.000000    0.000000    0.000000    0.000000
                           harm        23       146        56  7.6000E+01  118.400000  294.000000    0.000000    0.000000    0.000000
                           harm         5       147       136  7.0000E+01  119.800000  295.000000    0.000000    0.000000    0.000000
                           harm         5       147        29  1.0000E+02  121.900000  296.000000    0.000000    0.000000    0.000000
                           harm        29       147       136  7.6000E+01  118.400000  297.000000    0.000000    0.000000    0.000000
                           harm        46       148       141  7.0000E+01  119.800000  298.000000    0.000000    0.000000    0.000000
                           harm        46       148        49  1.0000E+02  121.900000  299.000000    0.000000    0.000000    0.000000
                           harm        49       148       141  7.6000E+01  118.400000  300.000000    0.000000    0.000000    0.000000
                           harm        47       149       142  7.0000E+01  119.800000  301.000000    0.000000    0.000000    0.000000
                           harm        47       149        50  1.0000E+02  121.900000  302.000000    0.000000    0.000000    0.000000
                           harm        50       149       142  7.6000E+01  118.400000  303.000000    0.000000    0.000000    0.000000
                           harm        48       150       139  7.0000E+01  119.800000  304.000000    0.000000    0.000000    0.000000
                           harm        48       150        51  1.0000E+02  121.900000  305.000000    0.000000    0.000000    0.000000
                           harm        51       150       139  7.6000E+01  118.400000  306.000000    0.000000    0.000000    0.000000
                           harm         1       151        52  2.0000E+02  116.400000  307.000000    0.000000    0.000000    0.000000
                           harm         2       152        53  2.0000E+02  116.400000  308.000000    0.000000    0.000000    0.000000
                           harm         3       153        54  2.0000E+02  116.400000  309.000000    0.000000    0.000000    0.000000
                           harm        40       166        43  2.0000E+02  116.400000  310.000000    0.000000    0.000000    0.000000
                           harm        41       167        44  2.0000E+02  116.400000  311.000000    0.000000    0.000000    0.000000
                           harm        42       168        45  2.0000E+02  116.400000  312.000000    0.000000    0.000000    0.000000

 number of dihedral angles             450


 dihedral angle details:

                            key     index     index     index     index     f-const       angle        trig    1-4 elec     1-4 vdw

                           cos        146         4         1       151  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         34        31         1        57  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31         1        57  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         34        31         1       151  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31         1       151  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31         1       151  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        147         5         2       152  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         35        32         2        58  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32         2        58  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         35        32         2       152  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32         2       152  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32         2       152  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        145         6         3       153  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         36        33         3        59  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33         3        59  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         36        33         3       153  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33         3       153  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33         3       153  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         31         1         4       146  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         57         1         4       146  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         31         1         4       163  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         31         1         4       163  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         57         1         4       163  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         57         1         4       163  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        151         1         4       163  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         56       146         4       163  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         56       146         4       163  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos         56       146         4       163  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         23       146         4       163  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         32         2         5       147  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         58         2         5       147  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         32         2         5       164  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         32         2         5       164  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         58         2         5       164  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         58         2         5       164  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        152         2         5       164  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        136       147         5       164  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        136       147         5       164  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos        136       147         5       164  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         29       147         5       164  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         33         3         6       145  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         59         3         6       145  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         33         3         6       165  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         33         3         6       165  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         59         3         6       165  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         59         3         6       165  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        153         3         6       165  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         55       145         6       165  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         55       145         6       165  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos         55       145         6       165  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         22       145         6       165  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         40        22         7        60  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         41        23         8        61  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         42        29         9        62  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         13         7        10        63  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        10        63  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        10        63  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         13         7        10        65  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        10        65  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        10        65  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         13         7        10        66  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        10        66  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        10        66  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         14         8        11        73  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        11        73  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        11        73  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         14         8        11        76  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        11        76  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        11        76  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         14         8        11        77  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        11        77  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        11        77  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         15         9        12        78  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        12        78  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        12        78  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         15         9        12        79  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        12        79  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        12        79  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         15         9        12        80  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        12        80  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        12        80  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         10         7        13        72  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        13        72  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        13        72  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         10         7        13        74  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        13        74  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        13        74  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         10         7        13        75  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22         7        13        75  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         60         7        13        75  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         11         8        14        64  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        14        64  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        14        64  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         11         8        14        67  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        14        67  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        14        67  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         11         8        14        68  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         23         8        14        68  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         61         8        14        68  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         12         9        15        69  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        15        69  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        15        69  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         12         9        15        70  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        15        70  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        15        70  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         12         9        15        71  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         29         9        15        71  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         49        19        24        97  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         90        19        24        98  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         51        21        26       103  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         49        19        27       106  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        27       106  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         24        19        27       107  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         49        19        27       107  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        27       107  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         50        20        28       105  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         25        20        28       108  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         50        20        28       108  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        28       108  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        28       109  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         50        20        28       109  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        28       109  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         15         9        29        42  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         15         9        29       137  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        29       137  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         15         9        29       147  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        29       147  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        30       110  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         51        21        30       110  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        30       110  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        30       111  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         51        21        30       111  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        30       111  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        30       112  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         51        21        30       112  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        30       112  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          4         1        31        34  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          4         1        31        37  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          4         1        31       113  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         57         1        31       113  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          5         2        32        35  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos          5         2        32       114  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         58         2        32       114  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          6         3        33        36  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          6         3        33        39  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         59         3        33       115  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        34       116  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31        34       116  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        34       116  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        34       118  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31        34       118  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        34       118  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        34       119  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         37        31        34       119  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        34       119  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        35       117  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32        35       117  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        35       117  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        35       120  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32        35       120  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        35       120  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        35       121  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         38        32        35       121  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        35       121  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        36       122  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33        36       122  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        36       122  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        36       123  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33        36       123  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        36       123  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        36       124  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         39        33        36       124  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        36       124  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         34        31        37       125  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        37       125  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        37       127  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         34        31        37       127  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        37       127  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          1        31        37       128  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         34        31        37       128  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        113        31        37       128  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        38       126  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         35        32        38       126  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        38       126  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        38       129  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         35        32        38       129  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        38       129  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          2        32        38       130  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         35        32        38       130  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        114        32        38       130  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        39       131  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         36        33        39       131  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        39       131  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        39       132  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         36        33        39       132  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        39       132  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos          3        33        39       133  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         36        33        39       133  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        115        33        39       133  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos          7        22        40       154  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         93        22        40       154  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         93        22        40       154  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        145        22        40       154  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        145        22        40       154  0.0000E+00    0.000000    2.000000    0.000000    0.000000
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                           cos         93        22        40       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        145        22        40       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
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                           cos          8        23        41       155  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos         94        23        41       155  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         94        23        41       155  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        146        23        41       155  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        146        23        41       155  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          8        23        41       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         94        23        41       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        146        23        41       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos          9        29        42       156  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos          9        29        42       156  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        137        29        42       156  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        137        29        42       156  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        147        29        42       156  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        147        29        42       156  0.0000E+00    0.000000    2.000000    0.000000    0.000000
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                           cos        137        29        42       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        147        29        42       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         81        16        43       134  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         83        16        43       134  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         84        16        43       134  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         81        16        43       166  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         83        16        43       166  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         84        16        43       166  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        148        46        43       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        157        46        43       166  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         82        17        44       135  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         85        17        44       135  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         86        17        44       135  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         82        17        44       167  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         85        17        44       167  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         86        17        44       167  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        149        47        44       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        158        47        44       167  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         87        18        45       138  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         88        18        45       138  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         89        18        45       138  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         87        18        45       168  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         88        18        45       168  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         89        18        45       168  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos        150        48        45       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        159        48        45       168  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         16        43        46       148  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        134        43        46       148  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         16        43        46       157  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         16        43        46       157  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        134        43        46       157  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        134        43        46       157  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        141       148        46       157  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        141       148        46       157  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos        141       148        46       157  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         49       148        46       157  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         17        44        47       149  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        135        44        47       149  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         17        44        47       158  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         17        44        47       158  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        135        44        47       158  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        135        44        47       158  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        142       149        47       158  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        142       149        47       158  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos        142       149        47       158  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         50       149        47       158  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         18        45        48       150  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        138        45        48       150  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         18        45        48       159  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         18        45        48       159  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        138        45        48       159  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        138        45        48       159  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        139       150        48       159  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        139       150        48       159  6.5000E-01    0.000000    1.000000    0.000000    0.000000
                           cos        139       150        48       159  2.5000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         51       150        48       159  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         24        19        49        52  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         27        19        49        52  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         24        19        49       143  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         27        19        49       143  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        49       143  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         24        19        49       148  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         27        19        49       148  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        49       148  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        50        53  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        50        53  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        50       144  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        50       144  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        50       144  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         25        20        50       149  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        50       149  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        50       149  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        51        54  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         30        21        51        54  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        51       140  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         30        21        51       140  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        51       140  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         26        21        51       150  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         30        21        51       150  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        51       150  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         19        49        52       151  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        143        49        52       151  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        148        49        52       151  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         19        49        52       160  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         19        49        52       160  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        143        49        52       160  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        143        49        52       160  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        148        49        52       160  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        148        49        52       160  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          1       151        52       160  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         20        50        53       152  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        144        50        53       152  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        149        50        53       152  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         20        50        53       161  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         20        50        53       161  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        144        50        53       161  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        144        50        53       161  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        149        50        53       161  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        149        50        53       161  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          2       152        53       161  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         21        51        54       153  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        140        51        54       153  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos        150        51        54       153  0.0000E+00    0.000000    2.000000    0.500000    1.000000
                           cos         21        51        54       162  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos         21        51        54       162  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        140        51        54       162  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        140        51        54       162  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos        150        51        54       162  6.7000E-02  180.000000    3.000000    0.500000    1.000000
                           cos        150        51        54       162  0.0000E+00    0.000000    2.000000    0.000000    0.000000
                           cos          3       153        54       162  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          3         6       145        55  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          3         6       145        22  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          7        22       145        55  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         40        22       145        55  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos          1         4       146        56  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          1         4       146        23  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          8        23       146        56  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         41        23       146        56  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos          2         5       147       136  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          2         5       147        29  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos          9        29       147       136  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         42        29       147       136  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         43        46       148       141  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         43        46       148        49  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         19        49       148       141  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         52        49       148       141  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         44        47       149       142  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         44        47       149        50  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         20        50       149       142  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         53        50       149       142  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         45        48       150       139  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         45        48       150        51  2.5000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         21        51       150       139  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos         54        51       150       139  0.0000E+00    0.000000    3.000000    0.500000    1.000000
                           cos          4         1       151        52  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos         31         1       151        52  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos          5         2       152        53  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos         32         2       152        53  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos          6         3       153        54  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos         33         3       153        54  3.8333E-01    0.000000    3.000000    0.500000    1.000000
                           cos         22        40       166        43  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         23        41       167        44  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos         29        42       168        45  2.3000E+00  180.000000    2.000000    0.500000    1.000000
                           cos        146         1         4       163  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        147         2         5       164  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        145         3         6       165  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos         22       166        40       154  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos         23       167        41       155  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos         29       168        42       156  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        148        43        46       157  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        149        44        47       158  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        150        45        48       159  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        151        49        52       160  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        152        50        53       161  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos        153        51        54       162  1.0500E+01  180.000000    2.000000    0.000000    0.000000
                           cos          6        22       145        55  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos          4        23       146        56  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos          5        29       147       136  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         46        49       148       141  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         47        50       149       142  1.0000E+00  180.000000    2.000000    0.000000    0.000000
                           cos         48        51       150       139  1.0000E+00  180.000000    2.000000    0.000000    0.000000

 molecular species type                  4


 name of species:             potassium and chloride ions             

 number of molecules                     1

 number of atoms/sites                  50


 atomic characteristics:

                      site     name          mass        charge    repeat    freeze

                       379     K           39.00000     1.00000        23         0
                       402     cl          35.45000    -1.00000        27         0

 molecular species type                  5


 name of species:             spc water                               

 number of molecules                  3144

 number of atoms/sites                   3


 atomic characteristics:

                      site     name          mass        charge    repeat    freeze

                       429     OW          15.99960    -0.82000         1         0
                       430     HW           1.00080     0.41000         2         0

 number of bond constraints              3


 constraint bond details:

                          index     index  bondlength

                              1         2    1.000000
                              1         3    1.000000
                              2         3    1.633283


 number of specified pair potentials        91


                atom 1  atom 2      key                              parameters


                ch2     ch2       lj       1.43070E-01  3.92300E+00
                ch2     cl        lj       1.29820E-01  4.18650E+00
                ch2     C         lj       1.31028E-01  3.60970E+00
                ch2     OW        lj       1.22890E-01  3.65330E+00
                C       C         lj       1.20000E-01  3.29630E+00
                C       cl        lj       1.18895E-01  3.87315E+00
                C       CT        lj       8.48530E-02  3.25180E+00
                C       H         lj       4.89900E-02  2.53910E+00
                C       HC        lj       6.75270E-02  2.86800E+00
                C       K         lj       1.97180E-01  3.21150E+00
                C       N         lj       1.38560E-01  3.20720E+00
                C       O         lj       1.54920E-01  3.07360E+00
                C       Oe        lj       1.54920E-01  3.07360E+00
                C       OS        lj       1.34160E-01  3.11810E+00
                C       OW        lj       1.35060E-01  3.23065E+00
                ch2     CT        lj       9.26510E-02  3.56510E+00
                CT      CT        lj       6.00000E-02  3.20720E+00
                CT      cl        lj       8.40700E-02  3.82860E+00
                CT      OW        lj       9.54990E-02  3.18610E+00
                CT      H         lj       3.46410E-02  2.49450E+00
                CT      HC        lj       4.77490E-02  2.82360E+00
                CT      K         lj       1.39420E-01  3.16860E+00
                CT      N         lj       9.79800E-02  3.16270E+00
                CT      O         lj       1.09540E-01  3.02910E+00
                CT      Oe        lj       1.09540E-01  3.02910E+00
                CT      OS        lj       9.48680E-02  3.07360E+00
                ch2     H         lj       5.34920E-02  2.85240E+00
                H       H         lj       2.00000E-02  1.78180E+00
                H       cl        lj       4.85390E-02  3.11600E+00
                H       HC        lj       2.74680E-02  2.11090E+00
                H       K         lj       8.04980E-02  2.45590E+00
                H       N         lj       5.65690E-02  2.45000E+00
                H       O         hbnd     7.55700E+03  2.38500E+03
                H       Oe        hbnd     7.55700E+03  2.38500E+03
                H       OS        hbnd     7.55700E+03  2.38500E+03
                H       OW        hbnd     7.55700E+03  2.38500E+03
                ch2     HC        lj       7.37337E-02  3.18150E+00
                HC      HC        lj       3.80000E-02  2.77400E+00
                HC      cl        lj       6.69060E-02  3.61200E+00
                HC      K         lj       1.10959E-01  2.78500E+00
                HC      N         lj       7.79740E-02  2.77900E+00
                HC      O         lj       8.71770E-02  2.64500E+00
                HC      Oe        lj       8.71770E-02  2.64500E+00
                HC      OS        lj       7.54986E-02  2.69000E+00
                HC      OW        lj       7.60000E-02  2.96950E+00
                ch2     K         lj       2.15300E-01  3.52650E+00
                K       K         lj       3.24000E-01  3.13000E+00
                K       cl        lj       1.95364E-01  6.79000E+00
                K       N         lj       2.27683E-01  3.12400E+00
                K       O         lj       2.54558E-01  2.99050E+00
                K       Oe        lj       2.54558E-01  2.99050E+00
                K       OS        lj       2.20454E-01  3.03500E+00
                K       OW        lj       2.21920E-01  3.14750E+00
                ch2     N         lj       1.51300E-01  3.52060E+00
                N       N         lj       1.60000E-01  3.11810E+00
                N       cl        lj       1.37289E-01  3.78400E+00
                N       O         lj       1.78890E-01  2.98450E+00
                N       Oe        lj       1.78890E-01  2.98450E+00
                N       OS        lj       1.54920E-01  3.02910E+00
                N       OW        lj       1.55950E-01  3.14155E+00
                ch2     O         lj       1.69156E-01  3.38695E+00
                O       O         lj       2.00000E-01  2.85090E+00
                O       cl        lj       1.53490E-01  3.65045E+00
                Oe      cl        lj       1.53490E-01  3.65045E+00
                O       Oe        lj       2.00000E-01  2.85090E+00
                O       OS        lj       1.73210E-01  2.89540E+00
                O       OW        lj       1.74360E-01  3.00800E+00
                Oe      OW        lj       1.74360E-01  3.00800E+00
                ch2     Oe        lj       1.69156E-01  3.38695E+00
                Oe      Oe        lj       2.00000E-01  2.85090E+00
                Oe      OS        lj       1.73210E-01  2.89540E+00
                ch2     OS        lj       1.46500E-01  3.43150E+00
                OS      OS        lj       1.50000E-01  2.94000E+00
                OS      cl        lj       1.32930E-01  3.69500E+00
                OS      OW        lj       1.53000E-01  3.05250E+00
                OW      OW        lj       1.56000E-01  3.16600E+00
                OW      cl        lj       1.33810E-01  3.80750E+00
                HW      HW        hbnd     0.00000E+00  0.00000E+00
                HW      cl        hbnd     0.00000E+00  0.00000E+00
                HW      OW        hbnd     0.00000E+00  0.00000E+00
                HW      ch2       hbnd     0.00000E+00  0.00000E+00
                HW      C         hbnd     0.00000E+00  0.00000E+00
                HW      CT        hbnd     0.00000E+00  0.00000E+00
                HW      N         hbnd     0.00000E+00  0.00000E+00
                HW      O         hbnd     0.00000E+00  0.00000E+00
                HW      Oe        hbnd     0.00000E+00  0.00000E+00
                HW      OS        hbnd     0.00000E+00  0.00000E+00
                HW      H         hbnd     0.00000E+00  0.00000E+00
                HW      HC        hbnd     0.00000E+00  0.00000E+00
                HW      K         hbnd     0.00000E+00  0.00000E+00
                cl      cl        lj       1.17800E-01  4.45000E+00

 configuration file name: 

          DL_POLY BENCHMARK 9: MODEL MEMBRANE/VALINOMYCIN SYSTEM                          


 selected image convention               3


 simulation cell vectors


                        68.831601    0.409186   -0.142635
                        34.755123   59.376884    0.107972
                        -0.076489    0.080939   79.012392


 system volume            321798.807975    


 link cell algorithm in use

 shared atoms from passcon                       0


 total degrees of freedom                     45231.
 rotational degrees of freedom                    0.
 shell pseudo degrees of freedom                  0.


 sample of starting configuration

      i       x(i)        y(i)        z(i)       vx(i)       vy(i)       vz(i)


      1 -4.4646E+00  6.8467E+00 -2.0248E+01 -1.3253E+01 -5.9079E+00  2.2766E+00
    945 -1.7369E+01  1.5949E+01 -2.5167E+00 -6.6514E+00 -5.0982E-01  4.9329E+00
   1889  3.3139E+01  1.0839E+01 -2.1212E+01  3.4167E+00  1.3788E+00 -5.8574E+00
   2833  8.1778E-01  1.8086E+01 -1.8747E+01 -4.3458E+00  3.5332E+00 -5.8315E+00
   3777 -2.2194E+01  1.8617E+01 -2.2134E+01 -5.4799E+00 -8.4605E-01 -3.2944E+00
   4721  3.6293E+01  2.5316E+01 -1.8089E+01 -2.2484E+00  7.9655E-01  2.3077E+00
   5665 -1.6368E+01 -2.3668E+01 -1.5738E+01  7.1497E+00 -5.0227E+00 -1.6697E+00
   6609  2.5017E+01 -1.0506E+01 -1.4285E+01  6.5122E+00 -3.5972E+00 -2.3346E-02
   7553  1.6354E+01 -1.4932E+01 -1.3541E+01  1.6519E+00 -1.8153E+00  2.5036E+00
   8497  2.0127E+01  2.5965E+01  2.4540E+01  9.3083E+00 -1.4895E+01  1.2248E+01
   9441 -3.2988E+01 -1.5806E+00 -3.5439E+01 -1.1157E+00  3.9762E+00 -5.9295E+00
  10385 -1.3670E+01 -1.3602E+01  3.9163E+01  1.5911E+01  1.4435E+01 -7.0712E+00
  11329 -3.1210E+01 -2.4028E+00  3.2835E+01 -4.3464E-01  1.6625E+01  9.0269E+00
  12273  3.0100E+01 -1.0426E+00 -3.5931E+01 -3.0423E+00 -7.9567E+00 -1.7763E-01
  13217  1.6980E+01 -2.6075E+01 -3.8503E+01  1.5167E+01  1.7855E+01 -1.6060E+01
  14161  4.4025E+01  2.6865E+01 -3.0775E+01 -7.9696E+00  5.0875E+01 -2.0160E+01
  15105 -1.7628E+01  1.4925E+01 -2.8800E+01 -3.6117E+00  4.3129E-01  1.1558E+00
  16049  1.6937E+01 -6.8740E+00  3.4837E+01 -1.2254E+01  1.3419E+01 -1.0346E+01
  16993  1.2364E+01  1.6128E+01  3.1121E+01  8.0598E+00 -8.3341E+00  7.2306E+00
  17937 -6.8271E-01  2.4621E+01  3.7510E+01  1.0500E+00 -4.5274E+00  3.3319E+00


long range correction for: vdw energy    -0.141711E+04
                         : vdw pressure  -0.603281E+00

 time elapsed since job start =          13.850 seconds

 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
        1 -2.8513E+04  3.0749E+02 -4.2332E+04 -1.1312E+04 -3.8584E+04  2.0398E+03  2.9839E+03  2.5407E+03  0.0000E+00
   1.000f -2.9583E+04  0.0000E+00  3.0850E+04 -1.3210E+05  3.8582E+04  7.2437E+03  0.0000E+00  1.1712E+05  0.0000E+00
  14.217s  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0174E+01  5.9318E+01  0.0000E+00 -2.2809E-01

  rolling -2.8513E+04  3.0749E+02 -4.2332E+04 -1.1312E+04 -3.8584E+04  2.0398E+03  2.9839E+03  2.5407E+03  0.0000E+00
 averages -2.9583E+04  0.0000E+00  3.0850E+04 -1.3210E+05  3.8582E+04  7.2437E+03  0.0000E+00  1.1712E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0174E+01  5.9318E+01  0.0000E+00 -2.2809E-01
 ------------------------------------------------------------------------------------------------------------------------
       10 -2.8509E+04  3.0662E+02 -4.2289E+04 -1.1298E+04 -3.8444E+04  1.9391E+03  2.9307E+03  2.5835E+03  0.0000E+00
  10.000f -2.8584E+04  0.0000E+00  2.7784E+04 -1.3227E+05  3.8440E+04  8.6477E+03  0.0000E+00  1.1297E+05  0.0000E+00
  16.348s  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0174E+01  5.9318E+01  0.0000E+00 -1.5913E-02

  rolling -2.8510E+04  3.0338E+02 -4.2144E+04 -1.1306E+04 -3.8483E+04  2.0813E+03  2.9984E+03  2.5646E+03  0.0000E+00
 averages -2.8660E+04  0.0000E+00  2.7722E+04 -1.3218E+05  3.8480E+04  8.4610E+03  0.0000E+00  1.1296E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0174E+01  5.9318E+01  0.0000E+00 -3.2146E-02
 ------------------------------------------------------------------------------------------------------------------------
       20 -2.8414E+04  3.0766E+02 -4.2241E+04 -1.1320E+04 -3.8572E+04  2.1057E+03  2.9505E+03  2.5944E+03  0.0000E+00
  20.000f -2.8385E+04  0.0000E+00  2.7567E+04 -1.3192E+05  3.8568E+04  6.7301E+03  0.0000E+00  1.1419E+05  0.0000E+00
  18.651s  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0173E+01  5.9318E+01  0.0000E+00  6.1393E-03

  rolling -2.8462E+04  3.0618E+02 -4.2222E+04 -1.1300E+04 -3.8505E+04  2.0158E+03  2.9878E+03  2.5788E+03  0.0000E+00
 averages -2.8417E+04  0.0000E+00  2.7383E+04 -1.3224E+05  3.8502E+04  8.0053E+03  0.0000E+00  1.1312E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0174E+01  5.9318E+01  0.0000E+00  9.7355E-03
 ------------------------------------------------------------------------------------------------------------------------
       30 -2.8339E+04  3.1331E+02 -4.2420E+04 -1.1410E+04 -3.8419E+04  1.9122E+03  2.9157E+03  2.5813E+03  0.0000E+00
  30.000f -2.8114E+04  0.0000E+00  2.7487E+04 -1.3071E+05  3.8416E+04  6.2774E+03  0.0000E+00  1.1351E+05  0.0000E+00
  20.879s  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0172E+01  5.9319E+01  0.0000E+00  4.7918E-02

  rolling -2.8420E+04  3.0759E+02 -4.2244E+04 -1.1320E+04 -3.8503E+04  2.0128E+03  2.9839E+03  2.5821E+03  0.0000E+00
 averages -2.8306E+04  0.0000E+00  2.7305E+04 -1.3195E+05  3.8499E+04  7.3523E+03  0.0000E+00  1.1340E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0173E+01  5.9318E+01  0.0000E+00  2.4313E-02
 ------------------------------------------------------------------------------------------------------------------------
       40 -2.8519E+04  3.0837E+02 -4.2378E+04 -1.1515E+04 -3.8410E+04  2.0241E+03  2.9677E+03  2.5551E+03  0.0000E+00
  40.000f -2.9459E+04  0.0000E+00  3.0537E+04 -1.2935E+05  3.8408E+04  9.5999E+03  0.0000E+00  1.1188E+05  0.0000E+00
  23.210s  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0173E+01  5.9318E+01  0.0000E+00 -2.0029E-01

  rolling -2.8445E+04  3.0741E+02 -4.2261E+04 -1.1357E+04 -3.8475E+04  2.0130E+03  2.9796E+03  2.5786E+03  0.0000E+00
 averages -2.8478E+04  0.0000E+00  2.7728E+04 -1.3146E+05  3.8472E+04  7.5899E+03  0.0000E+00  1.1312E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0173E+01  5.9318E+01  0.0000E+00 -6.8871E-03
 ------------------------------------------------------------------------------------------------------------------------
       50 -2.8514E+04  3.1252E+02 -4.2560E+04 -1.1587E+04 -3.8431E+04  2.0256E+03  2.9064E+03  2.5266E+03  0.0000E+00
  50.000f -2.9472E+04  0.0000E+00  3.0962E+04 -1.2837E+05  3.8431E+04  8.4092E+03  0.0000E+00  1.1249E+05  0.0000E+00
  25.511s  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0173E+01  5.9318E+01  0.0000E+00 -2.0397E-01

  rolling -2.8459E+04  3.0832E+02 -4.2315E+04 -1.1398E+04 -3.8467E+04  2.0071E+03  2.9717E+03  2.5707E+03  0.0000E+00
 averages -2.8695E+04  0.0000E+00  2.8422E+04 -1.3091E+05  3.8464E+04  7.9196E+03  0.0000E+00  1.1295E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0173E+01  5.9318E+01  0.0000E+00 -5.0347E-02
 ------------------------------------------------------------------------------------------------------------------------
       60 -2.8663E+04  3.0920E+02 -4.2559E+04 -1.1616E+04 -3.8372E+04  1.9932E+03  2.9161E+03  2.5194E+03  0.0000E+00
  60.000f -2.9099E+04  0.0000E+00  2.9100E+04 -1.2794E+05  3.8371E+04  6.4132E+03  0.0000E+00  1.1225E+05  0.0000E+00
  27.816s  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0174E+01  5.9317E+01  0.0000E+00 -9.2920E-02

  rolling -2.8493E+04  3.0839E+02 -4.2353E+04 -1.1432E+04 -3.8455E+04  2.0097E+03  2.9620E+03  2.5622E+03  0.0000E+00
 averages -2.8792E+04  0.0000E+00  2.8618E+04 -1.3045E+05  3.8452E+04  7.7794E+03  0.0000E+00  1.1284E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0173E+01  5.9318E+01  0.0000E+00 -6.3807E-02
 ------------------------------------------------------------------------------------------------------------------------
       70 -2.8671E+04  3.0788E+02 -4.2508E+04 -1.1631E+04 -3.8339E+04  1.9480E+03  2.9778E+03  2.5361E+03  0.0000E+00
  70.000f -2.9763E+04  0.0000E+00  3.0949E+04 -1.2767E+05  3.8337E+04  8.4513E+03  0.0000E+00  1.1184E+05  0.0000E+00
  30.063s  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0174E+01  5.9316E+01  0.0000E+00 -2.3265E-01

  rolling -2.8519E+04  3.0846E+02 -4.2381E+04 -1.1460E+04 -3.8441E+04  2.0061E+03  2.9569E+03  2.5572E+03  0.0000E+00
 averages -2.8890E+04  0.0000E+00  2.8840E+04 -1.3006E+05  3.8439E+04  7.7160E+03  0.0000E+00  1.1274E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0173E+01  5.9318E+01  0.0000E+00 -7.9191E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
       80 -2.8614E+04  3.0618E+02 -4.2374E+04 -1.1632E+04 -3.8256E+04  2.0426E+03  2.9097E+03  2.5620E+03  0.0000E+00
  80.000f -3.0061E+04  0.0000E+00  3.1862E+04 -1.2768E+05  3.8255E+04  9.5342E+03  0.0000E+00  1.1175E+05  0.0000E+00
  32.416s  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0174E+01  5.9315E+01  0.0000E+00 -3.0839E-01

  rolling -2.8531E+04  3.0841E+02 -4.2391E+04 -1.1482E+04 -3.8422E+04  2.0032E+03  2.9528E+03  2.5561E+03  0.0000E+00
 averages -2.9028E+04  0.0000E+00  2.9213E+04 -1.2976E+05  3.8419E+04  7.9232E+03  0.0000E+00  1.1263E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0173E+01  5.9318E+01  0.0000E+00 -1.0598E-01
 ------------------------------------------------------------------------------------------------------------------------
       90 -2.8487E+04  3.1286E+02 -4.2548E+04 -1.1681E+04 -3.8358E+04  1.9498E+03  2.9523E+03  2.5883E+03  0.0000E+00
  90.000f -2.9524E+04  0.0000E+00  3.1231E+04 -1.2704E+05  3.8356E+04  7.3589E+03  0.0000E+00  1.1256E+05  0.0000E+00
  34.680s  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0175E+01  5.9316E+01  0.0000E+00 -2.2090E-01

  rolling -2.8526E+04  3.0881E+02 -4.2404E+04 -1.1502E+04 -3.8409E+04  2.0005E+03  2.9474E+03  2.5586E+03  0.0000E+00
 averages -2.9103E+04  0.0000E+00  2.9490E+04 -1.2948E+05  3.8407E+04  7.9677E+03  0.0000E+00  1.1260E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0173E+01  5.9317E+01  0.0000E+00 -1.2308E-01
 ------------------------------------------------------------------------------------------------------------------------
      100 -2.8647E+04  3.0738E+02 -4.2461E+04 -1.1638E+04 -3.8350E+04  1.9832E+03  2.9588E+03  2.5849E+03  0.0000E+00
 100.000f -2.9467E+04  0.0000E+00  3.0090E+04 -1.2769E+05  3.8350E+04  7.3065E+03  0.0000E+00  1.1212E+05  0.0000E+00
  37.105s  3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0175E+01  5.9316E+01  0.0000E+00 -1.7481E-01

  rolling -2.8538E+04  3.0875E+02 -4.2414E+04 -1.1518E+04 -3.8405E+04  2.0011E+03  2.9467E+03  2.5616E+03  0.0000E+00
 averages -2.9159E+04  0.0000E+00  2.9614E+04 -1.2926E+05  3.8403E+04  7.8887E+03  0.0000E+00  1.1258E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0174E+01  5.9317E+01  0.0000E+00 -1.3234E-01
 ------------------------------------------------------------------------------------------------------------------------
      110 -2.8564E+04  3.0731E+02 -4.2375E+04 -1.1583E+04 -3.8326E+04  2.0487E+03  2.9162E+03  2.5688E+03  0.0000E+00
 110.000f -2.9538E+04  0.0000E+00  3.0543E+04 -1.2850E+05  3.8324E+04  8.7262E+03  0.0000E+00  1.1199E+05  0.0000E+00
  39.230s  3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0176E+01  5.9316E+01  0.0000E+00 -2.0752E-01

  rolling -2.8543E+04  3.0928E+02 -4.2443E+04 -1.1548E+04 -3.8389E+04  1.9913E+03  2.9395E+03  2.5629E+03  0.0000E+00
 averages -2.9230E+04  0.0000E+00  2.9859E+04 -1.2886E+05  3.8387E+04  7.8481E+03  0.0000E+00  1.1249E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0174E+01  5.9317E+01  0.0000E+00 -1.4627E-01
 ------------------------------------------------------------------------------------------------------------------------
      120 -2.8477E+04  3.1171E+02 -4.2486E+04 -1.1558E+04 -3.8393E+04  1.9651E+03  2.9554E+03  2.5446E+03  0.0000E+00
 120.000f -2.9311E+04  0.0000E+00  3.0518E+04 -1.2888E+05  3.8389E+04  8.4123E+03  0.0000E+00  1.1260E+05  0.0000E+00
  41.734s  3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0176E+01  5.9317E+01  0.0000E+00 -1.7769E-01

  rolling -2.8550E+04  3.0947E+02 -4.2458E+04 -1.1576E+04 -3.8373E+04  1.9971E+03  2.9350E+03  2.5590E+03  0.0000E+00
 averages -2.9355E+04  0.0000E+00  3.0231E+04 -1.2850E+05  3.8371E+04  7.9624E+03  0.0000E+00  1.1240E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0174E+01  5.9317E+01  0.0000E+00 -1.7155E-01
 ------------------------------------------------------------------------------------------------------------------------
      130 -2.8583E+04  3.0813E+02 -4.2432E+04 -1.1498E+04 -3.8412E+04  2.0314E+03  2.9085E+03  2.5380E+03  0.0000E+00
 130.000f -2.9355E+04  0.0000E+00  3.0011E+04 -1.2973E+05  3.8411E+04  7.7593E+03  0.0000E+00  1.1357E+05  0.0000E+00
  44.011s  3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0176E+01  5.9317E+01  0.0000E+00 -1.6450E-01

  rolling -2.8574E+04  3.0926E+02 -4.2473E+04 -1.1593E+04 -3.8363E+04  1.9991E+03  2.9295E+03  2.5541E+03  0.0000E+00
 averages -2.9491E+04  0.0000E+00  3.0546E+04 -1.2830E+05  3.8362E+04  8.1649E+03  0.0000E+00  1.1231E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0174E+01  5.9317E+01  0.0000E+00 -1.9522E-01
 ------------------------------------------------------------------------------------------------------------------------
      140 -2.8536E+04  3.0831E+02 -4.2392E+04 -1.1441E+04 -3.8403E+04  2.0077E+03  2.9031E+03  2.5409E+03  0.0000E+00
 140.000f -2.9216E+04  0.0000E+00  2.9752E+04 -1.3049E+05  3.8400E+04  7.8570E+03  0.0000E+00  1.1398E+05  0.0000E+00
  46.481s  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0176E+01  5.9317E+01  0.0000E+00 -1.4497E-01

  rolling -2.8576E+04  3.0951E+02 -4.2486E+04 -1.1593E+04 -3.8365E+04  1.9967E+03  2.9236E+03  2.5512E+03  0.0000E+00
 averages -2.9511E+04  0.0000E+00  3.0623E+04 -1.2831E+05  3.8363E+04  8.1041E+03  0.0000E+00  1.1247E+05  0.0000E+00
           3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0175E+01  5.9317E+01  0.0000E+00 -1.9914E-01
 ------------------------------------------------------------------------------------------------------------------------
      150 -2.8486E+04  3.1042E+02 -4.2437E+04 -1.1423E+04 -3.8467E+04  1.9602E+03  2.9331E+03  2.5598E+03  0.0000E+00
 150.000f -2.8975E+04  0.0000E+00  2.9366E+04 -1.3079E+05  3.8463E+04  7.8293E+03  0.0000E+00  1.1386E+05  0.0000E+00
  48.760s  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0176E+01  5.9317E+01  0.0000E+00 -1.0402E-01

  rolling -2.8573E+04  3.0926E+02 -4.2472E+04 -1.1579E+04 -3.8365E+04  1.9978E+03  2.9220E+03  2.5523E+03  0.0000E+00
 averages -2.9459E+04  0.0000E+00  3.0455E+04 -1.2851E+05  3.8363E+04  7.9706E+03  0.0000E+00  1.1263E+05  0.0000E+00
           3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0175E+01  5.9316E+01  0.0000E+00 -1.8875E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      160 -2.8537E+04  3.0633E+02 -4.2305E+04 -1.1399E+04 -3.8453E+04  2.0159E+03  2.9578E+03  2.5737E+03  0.0000E+00
 160.000f -2.8599E+04  0.0000E+00  2.7719E+04 -1.3116E+05  3.8452E+04  7.6957E+03  0.0000E+00  1.1273E+05  0.0000E+00
  51.059s  3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0177E+01  5.9317E+01  0.0000E+00 -1.3089E-02

  rolling -2.8561E+04  3.0917E+02 -4.2455E+04 -1.1561E+04 -3.8372E+04  1.9948E+03  2.9255E+03  2.5573E+03  0.0000E+00
 averages -2.9421E+04  0.0000E+00  3.0370E+04 -1.2878E+05  3.8370E+04  8.0403E+03  0.0000E+00  1.1274E+05  0.0000E+00
           3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0175E+01  5.9316E+01  0.0000E+00 -1.8335E-01
 ------------------------------------------------------------------------------------------------------------------------
      170 -2.8402E+04  3.0947E+02 -4.2310E+04 -1.1369E+04 -3.8493E+04  2.0167E+03  2.9600E+03  2.5755E+03  0.0000E+00
 170.000f -2.7749E+04  0.0000E+00  2.5859E+04 -1.3164E+05  3.8492E+04  7.4108E+03  0.0000E+00  1.1159E+05  0.0000E+00
  53.338s  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0177E+01  5.9317E+01  0.0000E+00  1.3905E-01

  rolling -2.8534E+04  3.0919E+02 -4.2430E+04 -1.1535E+04 -3.8383E+04  1.9968E+03  2.9299E+03  2.5620E+03  0.0000E+00
 averages -2.9270E+04  0.0000E+00  2.9999E+04 -1.2916E+05  3.8381E+04  8.0604E+03  0.0000E+00  1.1272E+05  0.0000E+00
           3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0176E+01  5.9316E+01  0.0000E+00 -1.5684E-01
 ------------------------------------------------------------------------------------------------------------------------
      180 -2.8413E+04  3.1030E+02 -4.2359E+04 -1.1413E+04 -3.8468E+04  2.0005E+03  2.9527E+03  2.5688E+03  0.0000E+00
 180.000f -2.7812E+04  0.0000E+00  2.6089E+04 -1.3103E+05  3.8466E+04  6.7402E+03  0.0000E+00  1.1191E+05  0.0000E+00
  55.672s  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0178E+01  5.9316E+01  0.0000E+00  1.2804E-01

  rolling -2.8514E+04  3.0935E+02 -4.2416E+04 -1.1510E+04 -3.8404E+04  2.0001E+03  2.9335E+03  2.5644E+03  0.0000E+00
 averages -2.9043E+04  0.0000E+00  2.9393E+04 -1.2954E+05  3.8402E+04  7.8263E+03  0.0000E+00  1.1271E+05  0.0000E+00
           3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0176E+01  5.9317E+01  0.0000E+00 -1.1280E-01
 ------------------------------------------------------------------------------------------------------------------------
      190 -2.8460E+04  3.1035E+02 -4.2407E+04 -1.1459E+04 -3.8454E+04  2.0082E+03  2.9491E+03  2.5481E+03  0.0000E+00
 190.000f -2.8295E+04  0.0000E+00  2.7401E+04 -1.3038E+05  3.8452E+04  7.0710E+03  0.0000E+00  1.1226E+05  0.0000E+00
  57.927s  3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0179E+01  5.9316E+01  0.0000E+00  3.5083E-02

  rolling -2.8511E+04  3.0907E+02 -4.2401E+04 -1.1488E+04 -3.8418E+04  2.0030E+03  2.9397E+03  2.5623E+03  0.0000E+00
 averages -2.8884E+04  0.0000E+00  2.8901E+04 -1.2987E+05  3.8416E+04  7.6786E+03  0.0000E+00  1.1268E+05  0.0000E+00
           3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0176E+01  5.9317E+01  0.0000E+00 -7.9592E-02
 ------------------------------------------------------------------------------------------------------------------------
      200 -2.8517E+04  3.1196E+02 -4.2538E+04 -1.1518E+04 -3.8521E+04  1.9796E+03  2.9708E+03  2.5510E+03  0.0000E+00
 200.000f -2.9024E+04  0.0000E+00  2.9561E+04 -1.2953E+05  3.8519E+04  7.6280E+03  0.0000E+00  1.1295E+05  0.0000E+00
   1.006m  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0180E+01  5.9317E+01  0.0000E+00 -1.0803E-01

  rolling -2.8498E+04  3.0929E+02 -4.2398E+04 -1.1470E+04 -3.8430E+04  2.0010E+03  2.9432E+03  2.5582E+03  0.0000E+00
 averages -2.8782E+04  0.0000E+00  2.8652E+04 -1.3015E+05  3.8428E+04  7.7025E+03  0.0000E+00  1.1267E+05  0.0000E+00
           3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0177E+01  5.9317E+01  0.0000E+00 -6.0469E-02
 ------------------------------------------------------------------------------------------------------------------------
      210 -2.8648E+04  3.1106E+02 -4.2628E+04 -1.1505E+04 -3.8529E+04  1.9851E+03  2.8620E+03  2.5593E+03  0.0000E+00
 210.000f -2.8914E+04  0.0000E+00  2.8759E+04 -1.2965E+05  3.8529E+04  7.1345E+03  0.0000E+00  1.1275E+05  0.0000E+00
   1.041m  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0180E+01  5.9317E+01  0.0000E+00 -5.6785E-02

  rolling -2.8506E+04  3.0941E+02 -4.2412E+04 -1.1461E+04 -3.8450E+04  2.0006E+03  2.9435E+03  2.5561E+03  0.0000E+00
 averages -2.8757E+04  0.0000E+00  2.8564E+04 -1.3028E+05  3.8448E+04  7.6387E+03  0.0000E+00  1.1276E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0177E+01  5.9317E+01  0.0000E+00 -5.3474E-02
 ------------------------------------------------------------------------------------------------------------------------
      220 -2.8736E+04  3.1002E+02 -4.2669E+04 -1.1514E+04 -3.8546E+04  1.9696E+03  2.8710E+03  2.5502E+03  0.0000E+00
 220.000f -2.9092E+04  0.0000E+00  2.8934E+04 -1.2947E+05  3.8545E+04  6.9837E+03  0.0000E+00  1.1288E+05  0.0000E+00
   1.083m  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0181E+01  5.9317E+01  0.0000E+00 -7.5857E-02

  rolling -2.8532E+04  3.0927E+02 -4.2431E+04 -1.1455E+04 -3.8468E+04  1.9995E+03  2.9356E+03  2.5564E+03  0.0000E+00
 averages -2.8717E+04  0.0000E+00  2.8352E+04 -1.3038E+05  3.8466E+04  7.4690E+03  0.0000E+00  1.1280E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0178E+01  5.9317E+01  0.0000E+00 -3.9378E-02
 ------------------------------------------------------------------------------------------------------------------------
      230 -2.8775E+04  3.0612E+02 -4.2533E+04 -1.1481E+04 -3.8463E+04  1.9957E+03  2.8955E+03  2.5194E+03  0.0000E+00
 230.000f -2.9193E+04  0.0000E+00  2.8768E+04 -1.2986E+05  3.8456E+04  8.1994E+03  0.0000E+00  1.1197E+05  0.0000E+00
   1.118m  3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0182E+01  5.9317E+01  0.0000E+00 -8.8988E-02

  rolling -2.8551E+04  3.0923E+02 -4.2449E+04 -1.1452E+04 -3.8478E+04  1.9930E+03  2.9320E+03  2.5558E+03  0.0000E+00
 averages -2.8691E+04  0.0000E+00  2.8213E+04 -1.3041E+05  3.8476E+04  7.4147E+03  0.0000E+00  1.1273E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0178E+01  5.9317E+01  0.0000E+00 -2.9720E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      240 -2.8639E+04  3.0946E+02 -4.2547E+04 -1.1477E+04 -3.8487E+04  1.9823E+03  2.9224E+03  2.5121E+03  0.0000E+00
 240.000f -2.9308E+04  0.0000E+00  2.9823E+04 -1.2988E+05  3.8484E+04  8.6300E+03  0.0000E+00  1.1259E+05  0.0000E+00
   1.158m  3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0183E+01  5.9317E+01  0.0000E+00 -1.4260E-01

  rolling -2.8562E+04  3.0927E+02 -4.2461E+04 -1.1453E+04 -3.8484E+04  1.9934E+03  2.9300E+03  2.5533E+03  0.0000E+00
 averages -2.8693E+04  0.0000E+00  2.8192E+04 -1.3038E+05  3.8482E+04  7.5085E+03  0.0000E+00  1.1258E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0179E+01  5.9317E+01  0.0000E+00 -2.7954E-02
 ------------------------------------------------------------------------------------------------------------------------
      250 -2.8644E+04  3.0679E+02 -4.2432E+04 -1.1421E+04 -3.8452E+04  1.9827E+03  2.9472E+03  2.5114E+03  0.0000E+00
 250.000f -2.8481E+04  0.0000E+00  2.7087E+04 -1.3063E+05  3.8449E+04  7.2243E+03  0.0000E+00  1.1204E+05  0.0000E+00
   1.198m  3.2169E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0184E+01  5.9317E+01  0.0000E+00  3.4706E-02

  rolling -2.8578E+04  3.0910E+02 -4.2469E+04 -1.1456E+04 -3.8488E+04  1.9938E+03  2.9313E+03  2.5492E+03  0.0000E+00
 averages -2.8693E+04  0.0000E+00  2.8130E+04 -1.3033E+05  3.8485E+04  7.5133E+03  0.0000E+00  1.1246E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0180E+01  5.9317E+01  0.0000E+00 -2.4635E-02
 ------------------------------------------------------------------------------------------------------------------------
      260 -2.8535E+04  3.0847E+02 -4.2399E+04 -1.1367E+04 -3.8507E+04  2.0018E+03  2.9429E+03  2.5304E+03  0.0000E+00
 260.000f -2.8073E+04  0.0000E+00  2.6339E+04 -1.3136E+05  3.8505E+04  7.0221E+03  0.0000E+00  1.1217E+05  0.0000E+00
   1.236m  3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0184E+01  5.9318E+01  0.0000E+00  9.8621E-02

  rolling -2.8577E+04  3.0923E+02 -4.2475E+04 -1.1452E+04 -3.8489E+04  1.9911E+03  2.9311E+03  2.5444E+03  0.0000E+00
 averages -2.8595E+04  0.0000E+00  2.7848E+04 -1.3035E+05  3.8487E+04  7.4188E+03  0.0000E+00  1.1230E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0180E+01  5.9317E+01  0.0000E+00 -3.7727E-03
 ------------------------------------------------------------------------------------------------------------------------
      270 -2.8497E+04  3.0935E+02 -4.2399E+04 -1.1347E+04 -3.8556E+04  1.9779E+03  2.9803E+03  2.5448E+03  0.0000E+00
 270.000f -2.8675E+04  0.0000E+00  2.8342E+04 -1.3166E+05  3.8554E+04  8.4742E+03  0.0000E+00  1.1298E+05  0.0000E+00
   1.274m  3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0184E+01  5.9318E+01  0.0000E+00 -3.8112E-02

  rolling -2.8587E+04  3.0920E+02 -4.2483E+04 -1.1451E+04 -3.8496E+04  1.9916E+03  2.9315E+03  2.5408E+03  0.0000E+00
 averages -2.8649E+04  0.0000E+00  2.7977E+04 -1.3035E+05  3.8494E+04  7.4526E+03  0.0000E+00  1.1238E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0181E+01  5.9317E+01  0.0000E+00 -1.3164E-02
 ------------------------------------------------------------------------------------------------------------------------
      280 -2.8504E+04  3.0766E+02 -4.2330E+04 -1.1309E+04 -3.8542E+04  1.9893E+03  2.9626E+03  2.5687E+03  0.0000E+00
 280.000f -2.8401E+04  0.0000E+00  2.7344E+04 -1.3219E+05  3.8541E+04  8.1420E+03  0.0000E+00  1.1285E+05  0.0000E+00
   1.312m  3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0185E+01  5.9318E+01  0.0000E+00  2.1985E-02

  rolling -2.8596E+04  3.0908E+02 -4.2487E+04 -1.1445E+04 -3.8502E+04  1.9878E+03  2.9330E+03  2.5393E+03  0.0000E+00
 averages -2.8723E+04  0.0000E+00  2.8162E+04 -1.3041E+05  3.8500E+04  7.5996E+03  0.0000E+00  1.1247E+05  0.0000E+00
           3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0182E+01  5.9317E+01  0.0000E+00 -2.7061E-02
 ------------------------------------------------------------------------------------------------------------------------
      290 -2.8433E+04  3.0965E+02 -4.2349E+04 -1.1304E+04 -3.8567E+04  1.9982E+03  2.9453E+03  2.5788E+03  0.0000E+00
 290.000f -2.8115E+04  0.0000E+00  2.6878E+04 -1.3226E+05  3.8567E+04  6.5904E+03  0.0000E+00  1.1398E+05  0.0000E+00
   1.352m  3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0186E+01  5.9319E+01  0.0000E+00  6.7829E-02

  rolling -2.8593E+04  3.0907E+02 -4.2484E+04 -1.1431E+04 -3.8512E+04  1.9857E+03  2.9331E+03  2.5410E+03  0.0000E+00
 averages -2.8737E+04  0.0000E+00  2.8212E+04 -1.3056E+05  3.8510E+04  7.6349E+03  0.0000E+00  1.1263E+05  0.0000E+00
           3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0183E+01  5.9317E+01  0.0000E+00 -3.0655E-02
 ------------------------------------------------------------------------------------------------------------------------
      300 -2.8455E+04  3.0897E+02 -4.2340E+04 -1.1290E+04 -3.8591E+04  1.9950E+03  2.9450E+03  2.6006E+03  0.0000E+00
 300.000f -2.7789E+04  0.0000E+00  2.5775E+04 -1.3252E+05  3.8588E+04  7.3226E+03  0.0000E+00  1.1239E+05  0.0000E+00
   1.392m  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0186E+01  5.9318E+01  0.0000E+00  1.4184E-01

  rolling -2.8587E+04  3.0895E+02 -4.2472E+04 -1.1412E+04 -3.8521E+04  1.9871E+03  2.9283E+03  2.5452E+03  0.0000E+00
 averages -2.8653E+04  0.0000E+00  2.7967E+04 -1.3081E+05  3.8519E+04  7.5725E+03  0.0000E+00  1.1269E+05  0.0000E+00
           3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0183E+01  5.9318E+01  0.0000E+00 -1.3993E-02
 ------------------------------------------------------------------------------------------------------------------------
      310 -2.8441E+04  3.0955E+02 -4.2353E+04 -1.1292E+04 -3.8656E+04  2.0240E+03  2.9680E+03  2.6033E+03  0.0000E+00
 310.000f -2.8395E+04  0.0000E+00  2.7683E+04 -1.3248E+05  3.8655E+04  8.2048E+03  0.0000E+00  1.1331E+05  0.0000E+00
   1.428m  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9895E+01  9.0187E+01  5.9319E+01  0.0000E+00  9.9479E-03

  rolling -2.8567E+04  3.0886E+02 -4.2448E+04 -1.1390E+04 -3.8531E+04  1.9909E+03  2.9321E+03  2.5501E+03  0.0000E+00
 averages -2.8565E+04  0.0000E+00  2.7756E+04 -1.3110E+05  3.8528E+04  7.6323E+03  0.0000E+00  1.1269E+05  0.0000E+00
           3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0184E+01  5.9318E+01  0.0000E+00  3.9133E-04
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      320 -2.8469E+04  3.0970E+02 -4.2387E+04 -1.1235E+04 -3.8690E+04  2.0111E+03  2.9225E+03  2.6049E+03  0.0000E+00
 320.000f -2.7570E+04  0.0000E+00  2.5141E+04 -1.3320E+05  3.8689E+04  6.6584E+03  0.0000E+00  1.1300E+05  0.0000E+00
   1.468m  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0187E+01  5.9319E+01  0.0000E+00  1.9149E-01

  rolling -2.8540E+04  3.0897E+02 -4.2426E+04 -1.1366E+04 -3.8545E+04  1.9916E+03  2.9390E+03  2.5546E+03  0.0000E+00
 averages -2.8460E+04  0.0000E+00  2.7530E+04 -1.3142E+05  3.8542E+04  7.6750E+03  0.0000E+00  1.1274E+05  0.0000E+00
           3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0185E+01  5.9318E+01  0.0000E+00  1.7125E-02
 ------------------------------------------------------------------------------------------------------------------------
      330 -2.8481E+04  3.1075E+02 -4.2447E+04 -1.1252E+04 -3.8696E+04  1.9873E+03  2.9260E+03  2.5883E+03  0.0000E+00
 330.000f -2.8377E+04  0.0000E+00  2.7617E+04 -1.3286E+05  3.8699E+04  6.4654E+03  0.0000E+00  1.1531E+05  0.0000E+00
   1.504m  3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0188E+01  5.9318E+01  0.0000E+00  2.2331E-02

  rolling -2.8510E+04  3.0911E+02 -4.2402E+04 -1.1341E+04 -3.8564E+04  1.9965E+03  2.9442E+03  2.5612E+03  0.0000E+00
 averages -2.8333E+04  0.0000E+00  2.7253E+04 -1.3176E+05  3.8562E+04  7.5528E+03  0.0000E+00  1.1290E+05  0.0000E+00
           3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0185E+01  5.9318E+01  0.0000E+00  3.7746E-02
 ------------------------------------------------------------------------------------------------------------------------
      340 -2.8551E+04  3.0734E+02 -4.2363E+04 -1.1209E+04 -3.8643E+04  2.0004E+03  2.8994E+03  2.5886E+03  0.0000E+00
 340.000f -2.8590E+04  0.0000E+00  2.7742E+04 -1.3344E+05  3.8641E+04  8.3011E+03  0.0000E+00  1.1424E+05  0.0000E+00
   1.545m  3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0188E+01  5.9318E+01  0.0000E+00 -8.2935E-03

  rolling -2.8502E+04  3.0895E+02 -4.2386E+04 -1.1315E+04 -3.8583E+04  1.9961E+03  2.9476E+03  2.5683E+03  0.0000E+00
 averages -2.8268E+04  0.0000E+00  2.7069E+04 -1.3210E+05  3.8581E+04  7.4397E+03  0.0000E+00  1.1314E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0186E+01  5.9318E+01  0.0000E+00  4.9773E-02
 ------------------------------------------------------------------------------------------------------------------------
      350 -2.8469E+04  3.1101E+02 -4.2447E+04 -1.1269E+04 -3.8736E+04  1.9949E+03  2.9738E+03  2.5899E+03  0.0000E+00
 350.000f -2.8406E+04  0.0000E+00  2.7765E+04 -1.3264E+05  3.8733E+04  7.5369E+03  0.0000E+00  1.1413E+05  0.0000E+00
   1.582m  3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0187E+01  5.9318E+01  0.0000E+00  1.3528E-02

  rolling -2.8484E+04  3.0915E+02 -4.2378E+04 -1.1293E+04 -3.8605E+04  1.9963E+03  2.9478E+03  2.5766E+03  0.0000E+00
 averages -2.8214E+04  0.0000E+00  2.6977E+04 -1.3239E+05  3.8603E+04  7.4613E+03  0.0000E+00  1.1330E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0186E+01  5.9318E+01  0.0000E+00  5.7604E-02
 ------------------------------------------------------------------------------------------------------------------------
      360 -2.8559E+04  3.1143E+02 -4.2555E+04 -1.1280E+04 -3.8709E+04  1.9696E+03  2.8847E+03  2.5796E+03  0.0000E+00
 360.000f -2.7518E+04  0.0000E+00  2.4872E+04 -1.3252E+05  3.8707E+04  5.8742E+03  0.0000E+00  1.1281E+05  0.0000E+00
   1.622m  3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0186E+01  5.9317E+01  0.0000E+00  2.2170E-01

  rolling -2.8486E+04  3.0928E+02 -4.2386E+04 -1.1282E+04 -3.8630E+04  1.9976E+03  2.9465E+03  2.5827E+03  0.0000E+00
 averages -2.8217E+04  0.0000E+00  2.6991E+04 -1.3253E+05  3.8629E+04  7.4218E+03  0.0000E+00  1.1347E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9894E+01  9.0186E+01  5.9318E+01  0.0000E+00  5.7450E-02
 ------------------------------------------------------------------------------------------------------------------------
      370 -2.8663E+04  3.1197E+02 -4.2683E+04 -1.1348E+04 -3.8750E+04  1.9585E+03  2.8749E+03  2.5815E+03  0.0000E+00
 370.000f -2.8653E+04  0.0000E+00  2.8014E+04 -1.3159E+05  3.8748E+04  7.4075E+03  0.0000E+00  1.1345E+05  0.0000E+00
   1.661m  3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0186E+01  5.9317E+01  0.0000E+00  1.9629E-03

  rolling -2.8503E+04  3.0941E+02 -4.2408E+04 -1.1277E+04 -3.8649E+04  1.9929E+03  2.9378E+03  2.5872E+03  0.0000E+00
 averages -2.8166E+04  0.0000E+00  2.6801E+04 -1.3260E+05  3.8648E+04  7.2852E+03  0.0000E+00  1.1347E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0186E+01  5.9318E+01  0.0000E+00  7.1803E-02
 ------------------------------------------------------------------------------------------------------------------------
      380 -2.8794E+04  3.0811E+02 -4.2641E+04 -1.1360E+04 -3.8670E+04  1.9719E+03  2.8642E+03  2.5528E+03  0.0000E+00
 380.000f -2.9005E+04  0.0000E+00  2.8328E+04 -1.3144E+05  3.8668E+04  7.9676E+03  0.0000E+00  1.1313E+05  0.0000E+00
   1.699m  3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0186E+01  5.9318E+01  0.0000E+00 -4.5060E-02

  rolling -2.8532E+04  3.0946E+02 -4.2440E+04 -1.1281E+04 -3.8666E+04  1.9925E+03  2.9264E+03  2.5880E+03  0.0000E+00
 averages -2.8236E+04  0.0000E+00  2.6928E+04 -1.3254E+05  3.8664E+04  7.2449E+03  0.0000E+00  1.1356E+05  0.0000E+00
           3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0187E+01  5.9318E+01  0.0000E+00  6.3056E-02
 ------------------------------------------------------------------------------------------------------------------------
      390 -2.8744E+04  3.0880E+02 -4.2623E+04 -1.1397E+04 -3.8656E+04  1.9741E+03  2.9365E+03  2.5199E+03  0.0000E+00
 390.000f -2.8320E+04  0.0000E+00  2.6482E+04 -1.3087E+05  3.8655E+04  4.8428E+03  0.0000E+00  1.1385E+05  0.0000E+00
   1.738m  3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0186E+01  5.9318E+01  0.0000E+00  9.0562E-02

  rolling -2.8563E+04  3.0945E+02 -4.2470E+04 -1.1287E+04 -3.8676E+04  1.9894E+03  2.9194E+03  2.5840E+03  0.0000E+00
 averages -2.8263E+04  0.0000E+00  2.6916E+04 -1.3245E+05  3.8674E+04  7.1536E+03  0.0000E+00  1.1354E+05  0.0000E+00
           3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0187E+01  5.9318E+01  0.0000E+00  6.3837E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      400 -2.8722E+04  3.0846E+02 -4.2585E+04 -1.1361E+04 -3.8655E+04  2.0011E+03  2.9367E+03  2.4938E+03  0.0000E+00
 400.000f -2.7768E+04  0.0000E+00  2.4863E+04 -1.3134E+05  3.8654E+04  4.6280E+03  0.0000E+00  1.1292E+05  0.0000E+00
   1.775m  3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0186E+01  5.9319E+01  0.0000E+00  2.0334E-01

  rolling -2.8590E+04  3.0937E+02 -4.2493E+04 -1.1297E+04 -3.8683E+04  1.9902E+03  2.9216E+03  2.5754E+03  0.0000E+00
 averages -2.8285E+04  0.0000E+00  2.6893E+04 -1.3229E+05  3.8682E+04  6.9084E+03  0.0000E+00  1.1359E+05  0.0000E+00
           3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9893E+01  9.0187E+01  5.9318E+01  0.0000E+00  6.4956E-02
 ------------------------------------------------------------------------------------------------------------------------
      410 -2.8696E+04  3.0929E+02 -4.2596E+04 -1.1348E+04 -3.8670E+04  1.9823E+03  2.9452E+03  2.4947E+03  0.0000E+00
 410.000f -2.8398E+04  0.0000E+00  2.6905E+04 -1.3148E+05  3.8671E+04  6.8210E+03  0.0000E+00  1.1289E+05  0.0000E+00
   1.814m  3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0185E+01  5.9319E+01  0.0000E+00  6.3581E-02

  rolling -2.8615E+04  3.0945E+02 -4.2522E+04 -1.1302E+04 -3.8688E+04  1.9863E+03  2.9172E+03  2.5642E+03  0.0000E+00
 averages -2.8261E+04  0.0000E+00  2.6752E+04 -1.3221E+05  3.8687E+04  6.6991E+03  0.0000E+00  1.1357E+05  0.0000E+00
           3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0187E+01  5.9318E+01  0.0000E+00  7.5491E-02
 ------------------------------------------------------------------------------------------------------------------------
      420 -2.8694E+04  3.1143E+02 -4.2690E+04 -1.1355E+04 -3.8729E+04  1.9768E+03  2.9081E+03  2.5086E+03  0.0000E+00
 420.000f -2.8030E+04  0.0000E+00  2.5998E+04 -1.3134E+05  3.8728E+04  5.4382E+03  0.0000E+00  1.1317E+05  0.0000E+00
   1.852m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0185E+01  5.9319E+01  0.0000E+00  1.4164E-01

  rolling -2.8638E+04  3.0938E+02 -4.2542E+04 -1.1311E+04 -3.8688E+04  1.9835E+03  2.9202E+03  2.5541E+03  0.0000E+00
 averages -2.8298E+04  0.0000E+00  2.6788E+04 -1.3205E+05  3.8687E+04  6.5902E+03  0.0000E+00  1.1356E+05  0.0000E+00
           3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0186E+01  5.9318E+01  0.0000E+00  7.2472E-02
 ------------------------------------------------------------------------------------------------------------------------
      430 -2.8801E+04  3.0752E+02 -4.2622E+04 -1.1311E+04 -3.8797E+04  2.0263E+03  2.9109E+03  2.5490E+03  0.0000E+00
 430.000f -2.7842E+04  0.0000E+00  2.4764E+04 -1.3192E+05  3.8796E+04  5.0409E+03  0.0000E+00  1.1285E+05  0.0000E+00
   1.893m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0185E+01  5.9319E+01  0.0000E+00  2.0438E-01

  rolling -2.8670E+04  3.0930E+02 -4.2570E+04 -1.1320E+04 -3.8697E+04  1.9841E+03  2.9155E+03  2.5472E+03  0.0000E+00
 averages -2.8291E+04  0.0000E+00  2.6666E+04 -1.3192E+05  3.8695E+04  6.4480E+03  0.0000E+00  1.1344E+05  0.0000E+00
           3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0186E+01  5.9318E+01  0.0000E+00  8.0646E-02
 ------------------------------------------------------------------------------------------------------------------------
      440 -2.8727E+04  3.0757E+02 -4.2550E+04 -1.1241E+04 -3.8798E+04  2.0023E+03  2.9190E+03  2.5678E+03  0.0000E+00
 440.000f -2.8622E+04  0.0000E+00  2.7332E+04 -1.3284E+05  3.8794E+04  7.6283E+03  0.0000E+00  1.1375E+05  0.0000E+00
   1.931m  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0185E+01  5.9320E+01  0.0000E+00  2.2286E-02

  rolling -2.8687E+04  3.0941E+02 -4.2593E+04 -1.1326E+04 -3.8710E+04  1.9856E+03  2.9126E+03  2.5449E+03  0.0000E+00
 averages -2.8269E+04  0.0000E+00  2.6555E+04 -1.3182E+05  3.8709E+04  6.3398E+03  0.0000E+00  1.1333E+05  0.0000E+00
           3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0186E+01  5.9318E+01  0.0000E+00  8.9252E-02
 ------------------------------------------------------------------------------------------------------------------------
      450 -2.8641E+04  3.0891E+02 -4.2524E+04 -1.1170E+04 -3.8861E+04  1.9947E+03  2.9507E+03  2.5614E+03  0.0000E+00
 450.000f -2.8109E+04  0.0000E+00  2.6173E+04 -1.3383E+05  3.8858E+04  7.5098E+03  0.0000E+00  1.1363E+05  0.0000E+00
   1.971m  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0184E+01  5.9320E+01  0.0000E+00  1.1319E-01

  rolling -2.8705E+04  3.0929E+02 -4.2605E+04 -1.1321E+04 -3.8723E+04  1.9862E+03  2.9119E+03  2.5420E+03  0.0000E+00
 averages -2.8253E+04  0.0000E+00  2.6445E+04 -1.3187E+05  3.8722E+04  6.3159E+03  0.0000E+00  1.1328E+05  0.0000E+00
           3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0186E+01  5.9319E+01  0.0000E+00  9.6226E-02
 ------------------------------------------------------------------------------------------------------------------------
      460 -2.8634E+04  3.0970E+02 -4.2553E+04 -1.1150E+04 -3.8905E+04  1.9674E+03  2.9880E+03  2.5471E+03  0.0000E+00
 460.000f -2.7737E+04  0.0000E+00  2.5147E+04 -1.3405E+05  3.8901E+04  6.2165E+03  0.0000E+00  1.1408E+05  0.0000E+00
   2.009m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9892E+01  9.0185E+01  5.9320E+01  0.0000E+00  1.9109E-01

  rolling -2.8712E+04  3.0925E+02 -4.2610E+04 -1.1310E+04 -3.8741E+04  1.9855E+03  2.9156E+03  2.5395E+03  0.0000E+00
 averages -2.8245E+04  0.0000E+00  2.6395E+04 -1.3200E+05  3.8739E+04  6.3299E+03  0.0000E+00  1.1332E+05  0.0000E+00
           3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0185E+01  5.9319E+01  0.0000E+00  9.9547E-02
 ------------------------------------------------------------------------------------------------------------------------
      470 -2.8649E+04  3.1000E+02 -4.2581E+04 -1.1108E+04 -3.8911E+04  1.9998E+03  2.9309E+03  2.5075E+03  0.0000E+00
 470.000f -2.8173E+04  0.0000E+00  2.6436E+04 -1.3463E+05  3.8911E+04  8.2420E+03  0.0000E+00  1.1391E+05  0.0000E+00
   2.047m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0185E+01  5.9321E+01  0.0000E+00  1.0142E-01

  rolling -2.8711E+04  3.0915E+02 -4.2604E+04 -1.1292E+04 -3.8757E+04  1.9883E+03  2.9232E+03  2.5335E+03  0.0000E+00
 averages -2.8237E+04  0.0000E+00  2.6366E+04 -1.3222E+05  3.8756E+04  6.3964E+03  0.0000E+00  1.1343E+05  0.0000E+00
           3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0185E+01  5.9319E+01  0.0000E+00  1.0100E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      480 -2.8687E+04  3.1078E+02 -4.2655E+04 -1.1122E+04 -3.8953E+04  1.9949E+03  2.9242E+03  2.5017E+03  0.0000E+00
 480.000f -2.8732E+04  0.0000E+00  2.8070E+04 -1.3446E+05  3.8954E+04  8.6385E+03  0.0000E+00  1.1494E+05  0.0000E+00
   2.085m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0185E+01  5.9321E+01  0.0000E+00 -9.6142E-03

  rolling -2.8700E+04  3.0926E+02 -4.2599E+04 -1.1267E+04 -3.8780E+04  1.9897E+03  2.9316E+03  2.5272E+03  0.0000E+00
 averages -2.8176E+04  0.0000E+00  2.6227E+04 -1.3254E+05  3.8779E+04  6.4682E+03  0.0000E+00  1.1352E+05  0.0000E+00
           3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0185E+01  5.9320E+01  0.0000E+00  1.1156E-01
 ------------------------------------------------------------------------------------------------------------------------
      490 -2.8756E+04  3.0920E+02 -4.2652E+04 -1.1122E+04 -3.8951E+04  1.9842E+03  2.9356E+03  2.5013E+03  0.0000E+00
 490.000f -2.7796E+04  0.0000E+00  2.4913E+04 -1.3451E+05  3.8953E+04  5.8030E+03  0.0000E+00  1.1467E+05  0.0000E+00
   2.125m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0184E+01  5.9322E+01  0.0000E+00  2.0454E-01

  rolling -2.8701E+04  3.0923E+02 -4.2598E+04 -1.1242E+04 -3.8809E+04  1.9947E+03  2.9340E+03  2.5239E+03  0.0000E+00
 averages -2.8153E+04  0.0000E+00  2.6151E+04 -1.3287E+05  3.8808E+04  6.5531E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0185E+01  5.9320E+01  0.0000E+00  1.1672E-01
 ------------------------------------------------------------------------------------------------------------------------
      500 -2.8758E+04  3.0968E+02 -4.2675E+04 -1.1096E+04 -3.8988E+04  1.9829E+03  2.9177E+03  2.5086E+03  0.0000E+00
 500.000f -2.7781E+04  0.0000E+00  2.4904E+04 -1.3481E+05  3.8987E+04  6.1748E+03  0.0000E+00  1.1455E+05  0.0000E+00
   2.162m  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0184E+01  5.9323E+01  0.0000E+00  2.0819E-01

  rolling -2.8705E+04  3.0935E+02 -4.2607E+04 -1.1214E+04 -3.8842E+04  1.9908E+03  2.9337E+03  2.5239E+03  0.0000E+00
 averages -2.8116E+04  0.0000E+00  2.6038E+04 -1.3324E+05  3.8841E+04  6.6736E+03  0.0000E+00  1.1376E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0185E+01  5.9320E+01  0.0000E+00  1.2554E-01
 ------------------------------------------------------------------------------------------------------------------------
      510 -2.8776E+04  3.0867E+02 -4.2648E+04 -1.1067E+04 -3.8961E+04  1.9791E+03  2.8741E+03  2.5261E+03  0.0000E+00
 510.000f -2.8341E+04  0.0000E+00  2.6438E+04 -1.3519E+05  3.8961E+04  9.0724E+03  0.0000E+00  1.1360E+05  0.0000E+00
   2.203m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0184E+01  5.9323E+01  0.0000E+00  9.2792E-02

  rolling -2.8713E+04  3.0924E+02 -4.2611E+04 -1.1187E+04 -3.8872E+04  1.9911E+03  2.9307E+03  2.5265E+03  0.0000E+00
 averages -2.8129E+04  0.0000E+00  2.6044E+04 -1.3359E+05  3.8871E+04  6.8697E+03  0.0000E+00  1.1390E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0185E+01  5.9321E+01  0.0000E+00  1.2445E-01
 ------------------------------------------------------------------------------------------------------------------------
      520 -2.8751E+04  3.0991E+02 -4.2679E+04 -1.1155E+04 -3.9003E+04  1.9927E+03  2.9352E+03  2.5520E+03  0.0000E+00
 520.000f -2.8537E+04  0.0000E+00  2.7215E+04 -1.3400E+05  3.9001E+04  8.0967E+03  0.0000E+00  1.1412E+05  0.0000E+00
   2.239m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0185E+01  5.9323E+01  0.0000E+00  4.5545E-02

  rolling -2.8718E+04  3.0920E+02 -4.2614E+04 -1.1162E+04 -3.8902E+04  1.9929E+03  2.9263E+03  2.5303E+03  0.0000E+00
 averages -2.8143E+04  0.0000E+00  2.6064E+04 -1.3392E+05  3.8901E+04  7.1283E+03  0.0000E+00  1.1396E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0185E+01  5.9321E+01  0.0000E+00  1.2270E-01
 ------------------------------------------------------------------------------------------------------------------------
      530 -2.8786E+04  3.0812E+02 -4.2633E+04 -1.1195E+04 -3.8904E+04  1.9830E+03  2.9269E+03  2.5566E+03  0.0000E+00
 530.000f -2.8162E+04  0.0000E+00  2.5825E+04 -1.3342E+05  3.8901E+04  6.3832E+03  0.0000E+00  1.1396E+05  0.0000E+00
   2.280m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0185E+01  5.9323E+01  0.0000E+00  1.3278E-01

  rolling -2.8717E+04  3.0919E+02 -4.2612E+04 -1.1147E+04 -3.8920E+04  1.9890E+03  2.9325E+03  2.5332E+03  0.0000E+00
 averages -2.8187E+04  0.0000E+00  2.6202E+04 -1.3412E+05  3.8919E+04  7.3269E+03  0.0000E+00  1.1407E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0185E+01  5.9321E+01  0.0000E+00  1.1290E-01
 ------------------------------------------------------------------------------------------------------------------------
      540 -2.8742E+04  3.1141E+02 -4.2738E+04 -1.1264E+04 -3.8929E+04  1.9664E+03  2.9685E+03  2.5207E+03  0.0000E+00
 540.000f -2.9122E+04  0.0000E+00  2.9131E+04 -1.3245E+05  3.8927E+04  8.4056E+03  0.0000E+00  1.1424E+05  0.0000E+00
   2.318m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0184E+01  5.9323E+01  0.0000E+00 -8.0984E-02

  rolling -2.8718E+04  3.0928E+02 -4.2618E+04 -1.1142E+04 -3.8930E+04  1.9869E+03  2.9369E+03  2.5309E+03  0.0000E+00
 averages -2.8211E+04  0.0000E+00  2.6277E+04 -1.3418E+05  3.8929E+04  7.4161E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0184E+01  5.9322E+01  0.0000E+00  1.0815E-01
 ------------------------------------------------------------------------------------------------------------------------
      550 -2.8856E+04  3.1026E+02 -4.2799E+04 -1.1321E+04 -3.8883E+04  1.9679E+03  2.9482E+03  2.4883E+03  0.0000E+00
 550.000f -2.9473E+04  0.0000E+00  2.9740E+04 -1.3167E+05  3.8881E+04  9.2244E+03  0.0000E+00  1.1330E+05  0.0000E+00
   2.356m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0185E+01  5.9323E+01  0.0000E+00 -1.3158E-01

  rolling -2.8740E+04  3.0948E+02 -4.2648E+04 -1.1154E+04 -3.8940E+04  1.9818E+03  2.9392E+03  2.5245E+03  0.0000E+00
 averages -2.8338E+04  0.0000E+00  2.6614E+04 -1.3401E+05  3.8939E+04  7.5400E+03  0.0000E+00  1.1415E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0184E+01  5.9322E+01  0.0000E+00  8.5504E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      560 -2.8898E+04  3.0822E+02 -4.2750E+04 -1.1323E+04 -3.8823E+04  2.0136E+03  2.9210E+03  2.4610E+03  0.0000E+00
 560.000f -2.9200E+04  0.0000E+00  2.8609E+04 -1.3153E+05  3.8822E+04  7.5293E+03  0.0000E+00  1.1379E+05  0.0000E+00
   2.397m  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9323E+01  0.0000E+00 -6.4311E-02

  rolling -2.8766E+04  3.0933E+02 -4.2668E+04 -1.1169E+04 -3.8934E+04  1.9853E+03  2.9332E+03  2.5163E+03  0.0000E+00
 averages -2.8476E+04  0.0000E+00  2.6933E+04 -1.3379E+05  3.8934E+04  7.7154E+03  0.0000E+00  1.1408E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0185E+01  5.9322E+01  0.0000E+00  6.1897E-02
 ------------------------------------------------------------------------------------------------------------------------
      570 -2.8858E+04  3.0999E+02 -4.2790E+04 -1.1342E+04 -3.8845E+04  1.9840E+03  2.9734E+03  2.4399E+03  0.0000E+00
 570.000f -2.9746E+04  0.0000E+00  3.0525E+04 -1.3122E+05  3.8843E+04  7.6829E+03  0.0000E+00  1.1522E+05  0.0000E+00
   2.433m  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0187E+01  5.9323E+01  0.0000E+00 -1.8910E-01

  rolling -2.8787E+04  3.0943E+02 -4.2694E+04 -1.1191E+04 -3.8928E+04  1.9854E+03  2.9314E+03  2.5085E+03  0.0000E+00
 averages -2.8638E+04  0.0000E+00  2.7365E+04 -1.3347E+05  3.8927E+04  7.7347E+03  0.0000E+00  1.1417E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0185E+01  5.9323E+01  0.0000E+00  3.1790E-02
 ------------------------------------------------------------------------------------------------------------------------
      580 -2.8893E+04  3.0976E+02 -4.2814E+04 -1.1292E+04 -3.8874E+04  1.9463E+03  2.9421E+03  2.4634E+03  0.0000E+00
 580.000f -2.9548E+04  0.0000E+00  2.9809E+04 -1.3187E+05  3.8870E+04  8.0562E+03  0.0000E+00  1.1475E+05  0.0000E+00
   2.474m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -1.3969E-01

  rolling -2.8808E+04  3.0939E+02 -4.2713E+04 -1.1212E+04 -3.8920E+04  1.9828E+03  2.9324E+03  2.5035E+03  0.0000E+00
 averages -2.8750E+04  0.0000E+00  2.7635E+04 -1.3317E+05  3.8919E+04  7.6614E+03  0.0000E+00  1.1422E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0185E+01  5.9323E+01  0.0000E+00  1.2382E-02
 ------------------------------------------------------------------------------------------------------------------------
      590 -2.8917E+04  3.0759E+02 -4.2741E+04 -1.1279E+04 -3.8917E+04  2.0042E+03  2.9750E+03  2.4756E+03  0.0000E+00
 590.000f -2.9457E+04  0.0000E+00  2.9265E+04 -1.3202E+05  3.8916E+04  6.8803E+03  0.0000E+00  1.1549E+05  0.0000E+00
   2.509m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -1.1492E-01

  rolling -2.8824E+04  3.0938E+02 -4.2728E+04 -1.1229E+04 -3.8915E+04  1.9807E+03  2.9345E+03  2.5002E+03  0.0000E+00
 averages -2.8881E+04  0.0000E+00  2.7979E+04 -1.3290E+05  3.8913E+04  7.6900E+03  0.0000E+00  1.1428E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0185E+01  5.9323E+01  0.0000E+00 -1.2141E-02
 ------------------------------------------------------------------------------------------------------------------------
      600 -2.8842E+04  3.0828E+02 -4.2697E+04 -1.1218E+04 -3.8848E+04  1.9401E+03  2.9267E+03  2.5019E+03  0.0000E+00
 600.000f -2.8338E+04  0.0000E+00  2.6198E+04 -1.3284E+05  3.8846E+04  7.3635E+03  0.0000E+00  1.1283E+05  0.0000E+00
   2.550m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00  1.0738E-01

  rolling -2.8832E+04  3.0938E+02 -4.2736E+04 -1.1242E+04 -3.8906E+04  1.9791E+03  2.9335E+03  2.4987E+03  0.0000E+00
 averages -2.8989E+04  0.0000E+00  2.8278E+04 -1.3269E+05  3.8904E+04  7.8224E+03  0.0000E+00  1.1424E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0185E+01  5.9323E+01  0.0000E+00 -3.3350E-02
 ------------------------------------------------------------------------------------------------------------------------
      610 -2.8782E+04  3.0909E+02 -4.2673E+04 -1.1188E+04 -3.8871E+04  1.9737E+03  2.9205E+03  2.4924E+03  0.0000E+00
 610.000f -2.8965E+04  0.0000E+00  2.8330E+04 -1.3321E+05  3.8869E+04  8.9212E+03  0.0000E+00  1.1375E+05  0.0000E+00
   2.587m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -3.8934E-02

  rolling -2.8833E+04  3.0932E+02 -4.2735E+04 -1.1254E+04 -3.8893E+04  1.9796E+03  2.9357E+03  2.4969E+03  0.0000E+00
 averages -2.9043E+04  0.0000E+00  2.8434E+04 -1.3249E+05  3.8891E+04  7.8773E+03  0.0000E+00  1.1415E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0185E+01  5.9323E+01  0.0000E+00 -4.4804E-02
 ------------------------------------------------------------------------------------------------------------------------
      620 -2.8792E+04  3.1033E+02 -4.2739E+04 -1.1132E+04 -3.8940E+04  1.9869E+03  2.8659E+03  2.4796E+03  0.0000E+00
 620.000f -2.8074E+04  0.0000E+00  2.5740E+04 -1.3398E+05  3.8939E+04  8.1940E+03  0.0000E+00  1.1258E+05  0.0000E+00
   2.627m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0185E+01  5.9322E+01  0.0000E+00  1.5298E-01

  rolling -2.8837E+04  3.0955E+02 -4.2749E+04 -1.1259E+04 -3.8888E+04  1.9739E+03  2.9327E+03  2.4913E+03  0.0000E+00
 averages -2.9045E+04  0.0000E+00  2.8446E+04 -1.3238E+05  3.8886E+04  7.8377E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0185E+01  5.9323E+01  0.0000E+00 -4.4196E-02
 ------------------------------------------------------------------------------------------------------------------------
      630 -2.8814E+04  3.0818E+02 -4.2665E+04 -1.1164E+04 -3.8809E+04  1.9537E+03  2.8820E+03  2.4728E+03  0.0000E+00
 630.000f -2.8552E+04  0.0000E+00  2.6913E+04 -1.3348E+05  3.8808E+04  8.0570E+03  0.0000E+00  1.1353E+05  0.0000E+00
   2.667m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0186E+01  5.9322E+01  0.0000E+00  5.5955E-02

  rolling -2.8840E+04  3.0942E+02 -4.2746E+04 -1.1256E+04 -3.8877E+04  1.9773E+03  2.9266E+03  2.4830E+03  0.0000E+00
 averages -2.9040E+04  0.0000E+00  2.8412E+04 -1.3240E+05  3.8875E+04  7.9552E+03  0.0000E+00  1.1398E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -4.2597E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      640 -2.8775E+04  3.0951E+02 -4.2685E+04 -1.1144E+04 -3.8920E+04  2.0223E+03  2.8657E+03  2.4908E+03  0.0000E+00
 640.000f -2.8876E+04  0.0000E+00  2.8121E+04 -1.3377E+05  3.8918E+04  9.7987E+03  0.0000E+00  1.1318E+05  0.0000E+00
   2.704m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -2.1425E-02

  rolling -2.8843E+04  3.0937E+02 -4.2747E+04 -1.1248E+04 -3.8873E+04  1.9764E+03  2.9204E+03  2.4772E+03  0.0000E+00
 averages -2.9058E+04  0.0000E+00  2.8452E+04 -1.3247E+05  3.8871E+04  8.1201E+03  0.0000E+00  1.1393E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -4.5749E-02
 ------------------------------------------------------------------------------------------------------------------------
      650 -2.8783E+04  3.1194E+02 -4.2802E+04 -1.1174E+04 -3.8927E+04  1.9065E+03  2.8790E+03  2.5132E+03  0.0000E+00
 650.000f -2.8947E+04  0.0000E+00  2.8529E+04 -1.3334E+05  3.8925E+04  9.0357E+03  0.0000E+00  1.1391E+05  0.0000E+00
   2.745m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0187E+01  5.9321E+01  0.0000E+00 -3.4882E-02

  rolling -2.8836E+04  3.0934E+02 -4.2738E+04 -1.1231E+04 -3.8875E+04  1.9750E+03  2.9157E+03  2.4775E+03  0.0000E+00
 averages -2.8972E+04  0.0000E+00  2.8212E+04 -1.3266E+05  3.8873E+04  8.1627E+03  0.0000E+00  1.1384E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -2.8913E-02
 ------------------------------------------------------------------------------------------------------------------------
      660 -2.8893E+04  3.0677E+02 -4.2680E+04 -1.1147E+04 -3.8931E+04  2.0226E+03  2.8445E+03  2.5309E+03  0.0000E+00
 660.000f -2.8925E+04  0.0000E+00  2.7671E+04 -1.3368E+05  3.8931E+04  8.2980E+03  0.0000E+00  1.1412E+05  0.0000E+00
   2.781m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0187E+01  5.9321E+01  0.0000E+00 -6.8939E-03

  rolling -2.8835E+04  3.0911E+02 -4.2727E+04 -1.1216E+04 -3.8883E+04  1.9754E+03  2.9140E+03  2.4826E+03  0.0000E+00
 averages -2.8961E+04  0.0000E+00  2.8161E+04 -1.3283E+05  3.8881E+04  8.1839E+03  0.0000E+00  1.1393E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -2.6742E-02
 ------------------------------------------------------------------------------------------------------------------------
      670 -2.8801E+04  3.1037E+02 -4.2750E+04 -1.1169E+04 -3.8986E+04  1.9719E+03  2.9001E+03  2.5331E+03  0.0000E+00
 670.000f -2.9273E+04  0.0000E+00  2.9312E+04 -1.3340E+05  3.8985E+04  9.5238E+03  0.0000E+00  1.1420E+05  0.0000E+00
   2.821m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0186E+01  5.9322E+01  0.0000E+00 -1.0047E-01

  rolling -2.8829E+04  3.0916E+02 -4.2724E+04 -1.1196E+04 -3.8896E+04  1.9715E+03  2.9060E+03  2.4914E+03  0.0000E+00
 averages -2.8891E+04  0.0000E+00  2.7973E+04 -1.3309E+05  3.8894E+04  8.3259E+03  0.0000E+00  1.1384E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -1.3118E-02
 ------------------------------------------------------------------------------------------------------------------------
      680 -2.8840E+04  3.0862E+02 -4.2710E+04 -1.1160E+04 -3.8907E+04  1.9429E+03  2.9075E+03  2.5065E+03  0.0000E+00
 680.000f -2.9035E+04  0.0000E+00  2.8323E+04 -1.3354E+05  3.8905E+04  9.0938E+03  0.0000E+00  1.1387E+05  0.0000E+00
   2.859m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0187E+01  5.9322E+01  0.0000E+00 -4.1461E-02

  rolling -2.8824E+04  3.0896E+02 -4.2710E+04 -1.1182E+04 -3.8905E+04  1.9737E+03  2.9055E+03  2.4983E+03  0.0000E+00
 averages -2.8861E+04  0.0000E+00  2.7881E+04 -1.3327E+05  3.8903E+04  8.4808E+03  0.0000E+00  1.1376E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -7.8290E-03
 ------------------------------------------------------------------------------------------------------------------------
      690 -2.8826E+04  3.0810E+02 -4.2673E+04 -1.1159E+04 -3.8918E+04  2.0142E+03  2.8987E+03  2.4914E+03  0.0000E+00
 690.000f -2.8543E+04  0.0000E+00  2.6845E+04 -1.3362E+05  3.8915E+04  8.1043E+03  0.0000E+00  1.1345E+05  0.0000E+00
   2.898m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0187E+01  5.9322E+01  0.0000E+00  6.0279E-02

  rolling -2.8815E+04  3.0897E+02 -4.2701E+04 -1.1168E+04 -3.8905E+04  1.9726E+03  2.8993E+03  2.5007E+03  0.0000E+00
 averages -2.8760E+04  0.0000E+00  2.7606E+04 -1.3345E+05  3.8903E+04  8.5719E+03  0.0000E+00  1.1358E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00  1.1757E-02
 ------------------------------------------------------------------------------------------------------------------------
      700 -2.8782E+04  3.1083E+02 -4.2752E+04 -1.1177E+04 -3.8896E+04  1.9475E+03  2.8732E+03  2.5005E+03  0.0000E+00
 700.000f -2.8973E+04  0.0000E+00  2.8513E+04 -1.3339E+05  3.8894E+04  9.5793E+03  0.0000E+00  1.1343E+05  0.0000E+00
   2.939m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0186E+01  5.9321E+01  0.0000E+00 -4.0742E-02

  rolling -2.8809E+04  3.0906E+02 -4.2699E+04 -1.1161E+04 -3.8908E+04  1.9744E+03  2.8948E+03  2.5014E+03  0.0000E+00
 averages -2.8765E+04  0.0000E+00  2.7649E+04 -1.3354E+05  3.8906E+04  8.7605E+03  0.0000E+00  1.1353E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00  9.2948E-03
 ------------------------------------------------------------------------------------------------------------------------
      710 -2.8850E+04  3.0804E+02 -4.2694E+04 -1.1143E+04 -3.8959E+04  1.9787E+03  2.9211E+03  2.5081E+03  0.0000E+00
 710.000f -2.9496E+04  0.0000E+00  2.9627E+04 -1.3385E+05  3.8957E+04  1.0427E+04  0.0000E+00  1.1409E+05  0.0000E+00
   2.977m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0186E+01  5.9320E+01  0.0000E+00 -1.3775E-01

  rolling -2.8816E+04  3.0904E+02 -4.2705E+04 -1.1156E+04 -3.8915E+04  1.9734E+03  2.8918E+03  2.5019E+03  0.0000E+00
 averages -2.8825E+04  0.0000E+00  2.7805E+04 -1.3361E+05  3.8913E+04  8.9507E+03  0.0000E+00  1.1355E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0186E+01  5.9322E+01  0.0000E+00 -1.9058E-03
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      720 -2.8807E+04  3.0803E+02 -4.2650E+04 -1.1147E+04 -3.8955E+04  1.9531E+03  2.9921E+03  2.5073E+03  0.0000E+00
 720.000f -2.9614E+04  0.0000E+00  3.0109E+04 -1.3373E+05  3.8955E+04  8.6659E+03  0.0000E+00  1.1621E+05  0.0000E+00
   3.015m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0186E+01  5.9320E+01  0.0000E+00 -1.7208E-01

  rolling -2.8817E+04  3.0884E+02 -4.2697E+04 -1.1156E+04 -3.8920E+04  1.9753E+03  2.8992E+03  2.5043E+03  0.0000E+00
 averages -2.8946E+04  0.0000E+00  2.8147E+04 -1.3361E+05  3.8918E+04  9.0463E+03  0.0000E+00  1.1379E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0186E+01  5.9321E+01  0.0000E+00 -2.7484E-02
 ------------------------------------------------------------------------------------------------------------------------
      730 -2.8743E+04  3.1066E+02 -4.2705E+04 -1.1121E+04 -3.8945E+04  1.9838E+03  2.8731E+03  2.5040E+03  0.0000E+00
 730.000f -2.9062E+04  0.0000E+00  2.8880E+04 -1.3411E+05  3.8943E+04  8.9559E+03  0.0000E+00  1.1510E+05  0.0000E+00
   3.054m  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0186E+01  5.9320E+01  0.0000E+00 -6.7990E-02

  rolling -2.8810E+04  3.0905E+02 -4.2699E+04 -1.1154E+04 -3.8927E+04  1.9704E+03  2.9041E+03  2.5073E+03  0.0000E+00
 averages -2.9035E+04  0.0000E+00  2.8452E+04 -1.3364E+05  3.8925E+04  9.0962E+03  0.0000E+00  1.1407E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0186E+01  5.9321E+01  0.0000E+00 -4.7841E-02
 ------------------------------------------------------------------------------------------------------------------------
      740 -2.8817E+04  3.0989E+02 -4.2744E+04 -1.1148E+04 -3.8960E+04  1.9920E+03  2.8805E+03  2.4915E+03  0.0000E+00
 740.000f -2.9717E+04  0.0000E+00  3.0553E+04 -1.3384E+05  3.8960E+04  1.0261E+04  0.0000E+00  1.1517E+05  0.0000E+00
   3.093m  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0187E+01  5.9320E+01  0.0000E+00 -1.9176E-01

  rolling -2.8814E+04  3.0908E+02 -4.2705E+04 -1.1152E+04 -3.8938E+04  1.9734E+03  2.9028E+03  2.5091E+03  0.0000E+00
 averages -2.9114E+04  0.0000E+00  2.8680E+04 -1.3368E+05  3.8936E+04  9.1858E+03  0.0000E+00  1.1424E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0186E+01  5.9321E+01  0.0000E+00 -6.3866E-02
 ------------------------------------------------------------------------------------------------------------------------
      750 -2.8844E+04  3.0732E+02 -4.2656E+04 -1.1128E+04 -3.8915E+04  1.9757E+03  2.9247E+03  2.4866E+03  0.0000E+00
 750.000f -2.8656E+04  0.0000E+00  2.7060E+04 -1.3414E+05  3.8913E+04  8.4161E+03  0.0000E+00  1.1387E+05  0.0000E+00
   3.131m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0187E+01  5.9319E+01  0.0000E+00  3.9998E-02

  rolling -2.8821E+04  3.0888E+02 -4.2702E+04 -1.1152E+04 -3.8936E+04  1.9764E+03  2.9016E+03  2.5073E+03  0.0000E+00
 averages -2.9162E+04  0.0000E+00  2.8787E+04 -1.3369E+05  3.8934E+04  9.1704E+03  0.0000E+00  1.1438E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0186E+01  5.9321E+01  0.0000E+00 -7.2698E-02
 ------------------------------------------------------------------------------------------------------------------------
      760 -2.8757E+04  3.0967E+02 -4.2675E+04 -1.1143E+04 -3.8961E+04  1.9981E+03  2.9444E+03  2.4860E+03  0.0000E+00
 760.000f -2.8721E+04  0.0000E+00  2.7725E+04 -1.3395E+05  3.8959E+04  7.7137E+03  0.0000E+00  1.1500E+05  0.0000E+00
   3.169m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0188E+01  5.9319E+01  0.0000E+00  7.8218E-03

  rolling -2.8807E+04  3.0921E+02 -4.2704E+04 -1.1148E+04 -3.8940E+04  1.9744E+03  2.9063E+03  2.5036E+03  0.0000E+00
 averages -2.9097E+04  0.0000E+00  2.8664E+04 -1.3376E+05  3.8938E+04  9.0848E+03  0.0000E+00  1.1441E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0186E+01  5.9320E+01  0.0000E+00 -6.1847E-02
 ------------------------------------------------------------------------------------------------------------------------
      770 -2.8775E+04  3.0816E+02 -4.2625E+04 -1.1112E+04 -3.8966E+04  2.0157E+03  2.9472E+03  2.4905E+03  0.0000E+00
 770.000f -2.9126E+04  0.0000E+00  2.8751E+04 -1.3443E+05  3.8961E+04  9.7345E+03  0.0000E+00  1.1448E+05  0.0000E+00
   3.207m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0189E+01  5.9319E+01  0.0000E+00 -7.4755E-02

  rolling -2.8805E+04  3.0900E+02 -4.2692E+04 -1.1146E+04 -3.8939E+04  1.9807E+03  2.9139E+03  2.4989E+03  0.0000E+00
 averages -2.9115E+04  0.0000E+00  2.8706E+04 -1.3381E+05  3.8937E+04  9.0931E+03  0.0000E+00  1.1449E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0187E+01  5.9320E+01  0.0000E+00 -6.6179E-02
 ------------------------------------------------------------------------------------------------------------------------
      780 -2.8730E+04  3.0886E+02 -4.2611E+04 -1.1164E+04 -3.8872E+04  1.9831E+03  2.9590E+03  2.4826E+03  0.0000E+00
 780.000f -2.8872E+04  0.0000E+00  2.8186E+04 -1.3380E+05  3.8869E+04  8.7407E+03  0.0000E+00  1.1438E+05  0.0000E+00
   3.247m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0189E+01  5.9319E+01  0.0000E+00 -3.0141E-02

  rolling -2.8794E+04  3.0921E+02 -4.2690E+04 -1.1143E+04 -3.8936E+04  1.9807E+03  2.9127E+03  2.4958E+03  0.0000E+00
 averages -2.9077E+04  0.0000E+00  2.8644E+04 -1.3389E+05  3.8934E+04  9.0766E+03  0.0000E+00  1.1452E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0187E+01  5.9320E+01  0.0000E+00 -6.0452E-02
 ------------------------------------------------------------------------------------------------------------------------
      790 -2.8705E+04  3.1095E+02 -4.2679E+04 -1.1159E+04 -3.8896E+04  1.9704E+03  2.9278E+03  2.4779E+03  0.0000E+00
 790.000f -2.8006E+04  0.0000E+00  2.5855E+04 -1.3386E+05  3.8892E+04  7.1685E+03  0.0000E+00  1.1365E+05  0.0000E+00
   3.284m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0189E+01  5.9318E+01  0.0000E+00  1.4877E-01

  rolling -2.8781E+04  3.0928E+02 -4.2681E+04 -1.1144E+04 -3.8933E+04  1.9825E+03  2.9198E+03  2.4939E+03  0.0000E+00
 averages -2.9053E+04  0.0000E+00  2.8612E+04 -1.3390E+05  3.8931E+04  9.0113E+03  0.0000E+00  1.1457E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0187E+01  5.9320E+01  0.0000E+00 -5.7783E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      800 -2.8790E+04  3.0885E+02 -4.2670E+04 -1.1184E+04 -3.8970E+04  1.9956E+03  3.0086E+03  2.4801E+03  0.0000E+00
 800.000f -2.8892E+04  0.0000E+00  2.8069E+04 -1.3356E+05  3.8970E+04  8.8300E+03  0.0000E+00  1.1383E+05  0.0000E+00
   3.325m  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0191E+01  5.9318E+01  0.0000E+00 -2.1903E-02

  rolling -2.8782E+04  3.0917E+02 -4.2677E+04 -1.1143E+04 -3.8936E+04  1.9823E+03  2.9266E+03  2.4928E+03  0.0000E+00
 averages -2.9010E+04  0.0000E+00  2.8473E+04 -1.3394E+05  3.8933E+04  8.9268E+03  0.0000E+00  1.1455E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0187E+01  5.9319E+01  0.0000E+00 -4.8588E-02
 ------------------------------------------------------------------------------------------------------------------------
      810 -2.8774E+04  3.1119E+02 -4.2760E+04 -1.1176E+04 -3.8985E+04  1.9970E+03  2.9776E+03  2.4266E+03  0.0000E+00
 810.000f -2.9128E+04  0.0000E+00  2.9031E+04 -1.3372E+05  3.8981E+04  8.8252E+03  0.0000E+00  1.1495E+05  0.0000E+00
   3.364m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0190E+01  5.9319E+01  0.0000E+00 -7.5321E-02

  rolling -2.8774E+04  3.0942E+02 -4.2680E+04 -1.1147E+04 -3.8943E+04  1.9844E+03  2.9384E+03  2.4873E+03  0.0000E+00
 averages -2.9014E+04  0.0000E+00  2.8530E+04 -1.3391E+05  3.8941E+04  8.8083E+03  0.0000E+00  1.1469E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0188E+01  5.9319E+01  0.0000E+00 -5.1020E-02
 ------------------------------------------------------------------------------------------------------------------------
      820 -2.8857E+04  3.0915E+02 -4.2750E+04 -1.1131E+04 -3.8988E+04  2.0298E+03  2.9230E+03  2.4155E+03  0.0000E+00
 820.000f -2.8246E+04  0.0000E+00  2.5956E+04 -1.3427E+05  3.8984E+04  6.8513E+03  0.0000E+00  1.1439E+05  0.0000E+00
   3.402m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0190E+01  5.9319E+01  0.0000E+00  1.3009E-01

  rolling -2.8779E+04  3.0932E+02 -4.2681E+04 -1.1146E+04 -3.8942E+04  1.9914E+03  2.9380E+03  2.4784E+03  0.0000E+00
 averages -2.8904E+04  0.0000E+00  2.8175E+04 -1.3396E+05  3.8940E+04  8.6325E+03  0.0000E+00  1.1456E+05  0.0000E+00
           3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0188E+01  5.9319E+01  0.0000E+00 -2.6446E-02
 ------------------------------------------------------------------------------------------------------------------------
      830 -2.8857E+04  3.1067E+02 -4.2820E+04 -1.1091E+04 -3.9067E+04  1.9989E+03  2.9368E+03  2.4024E+03  0.0000E+00
 830.000f -2.8327E+04  0.0000E+00  2.6332E+04 -1.3474E+05  3.9062E+04  6.9531E+03  0.0000E+00  1.1505E+05  0.0000E+00
   3.440m  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0192E+01  5.9320E+01  0.0000E+00  1.1311E-01

  rolling -2.8791E+04  3.0938E+02 -4.2695E+04 -1.1145E+04 -3.8953E+04  1.9956E+03  2.9392E+03  2.4685E+03  0.0000E+00
 averages -2.8813E+04  0.0000E+00  2.7874E+04 -1.3400E+05  3.8951E+04  8.4437E+03  0.0000E+00  1.1448E+05  0.0000E+00
           3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0189E+01  5.9319E+01  0.0000E+00 -4.6537E-03
 ------------------------------------------------------------------------------------------------------------------------
      840 -2.8925E+04  3.0946E+02 -4.2833E+04 -1.1091E+04 -3.9079E+04  1.9656E+03  2.9416E+03  2.4308E+03  0.0000E+00
 840.000f -2.8553E+04  0.0000E+00  2.6701E+04 -1.3472E+05  3.9076E+04  7.4182E+03  0.0000E+00  1.1492E+05  0.0000E+00
   3.478m  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0193E+01  5.9321E+01  0.0000E+00  7.9160E-02

  rolling -2.8802E+04  3.0930E+02 -4.2702E+04 -1.1140E+04 -3.8963E+04  1.9933E+03  2.9476E+03  2.4603E+03  0.0000E+00
 averages -2.8706E+04  0.0000E+00  2.7513E+04 -1.3408E+05  3.8960E+04  8.1995E+03  0.0000E+00  1.1443E+05  0.0000E+00
           3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0190E+01  5.9319E+01  0.0000E+00  2.0436E-02
 ------------------------------------------------------------------------------------------------------------------------
      850 -2.8940E+04  3.0883E+02 -4.2819E+04 -1.1121E+04 -3.9080E+04  1.9928E+03  2.9445E+03  2.4446E+03  0.0000E+00
 850.000f -2.8437E+04  0.0000E+00  2.6250E+04 -1.3424E+05  3.9076E+04  5.5123E+03  0.0000E+00  1.1590E+05  0.0000E+00
   3.517m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0192E+01  5.9322E+01  0.0000E+00  1.0721E-01

  rolling -2.8811E+04  3.0940E+02 -4.2716E+04 -1.1137E+04 -3.8981E+04  1.9950E+03  2.9515E+03  2.4556E+03  0.0000E+00
 averages -2.8645E+04  0.0000E+00  2.7312E+04 -1.3413E+05  3.8977E+04  7.9020E+03  0.0000E+00  1.1456E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0190E+01  5.9319E+01  0.0000E+00  3.5375E-02
 ------------------------------------------------------------------------------------------------------------------------
      860 -2.8917E+04  3.0875E+02 -4.2793E+04 -1.1119E+04 -3.9049E+04  1.9962E+03  2.9200E+03  2.4584E+03  0.0000E+00
 860.000f -2.8264E+04  0.0000E+00  2.5790E+04 -1.3424E+05  3.9044E+04  5.3010E+03  0.0000E+00  1.1569E+05  0.0000E+00
   3.554m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9322E+01  0.0000E+00  1.3934E-01

  rolling -2.8828E+04  3.0933E+02 -4.2729E+04 -1.1136E+04 -3.8991E+04  1.9945E+03  2.9503E+03  2.4520E+03  0.0000E+00
 averages -2.8615E+04  0.0000E+00  2.7166E+04 -1.3415E+05  3.8987E+04  7.6420E+03  0.0000E+00  1.1468E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0191E+01  5.9320E+01  0.0000E+00  4.5322E-02
 ------------------------------------------------------------------------------------------------------------------------
      870 -2.8904E+04  3.1080E+02 -4.2872E+04 -1.1156E+04 -3.9056E+04  1.9270E+03  2.9425E+03  2.4699E+03  0.0000E+00
 870.000f -2.8849E+04  0.0000E+00  2.7769E+04 -1.3377E+05  3.9051E+04  6.7468E+03  0.0000E+00  1.1574E+05  0.0000E+00
   3.595m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9881E+01  9.0193E+01  5.9322E+01  0.0000E+00  1.1827E-02

  rolling -2.8840E+04  3.0954E+02 -4.2752E+04 -1.1138E+04 -3.9001E+04  1.9889E+03  2.9486E+03  2.4497E+03  0.0000E+00
 averages -2.8587E+04  0.0000E+00  2.7062E+04 -1.3411E+05  3.8997E+04  7.3717E+03  0.0000E+00  1.1481E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0191E+01  5.9320E+01  0.0000E+00  5.4069E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      880 -2.8963E+04  3.0727E+02 -4.2773E+04 -1.1145E+04 -3.8984E+04  1.9740E+03  2.8927E+03  2.4906E+03  0.0000E+00
 880.000f -2.8083E+04  0.0000E+00  2.4976E+04 -1.3389E+05  3.8980E+04  6.0416E+03  0.0000E+00  1.1384E+05  0.0000E+00
   3.634m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9881E+01  9.0193E+01  5.9323E+01  0.0000E+00  1.8770E-01

  rolling -2.8864E+04  3.0931E+02 -4.2765E+04 -1.1138E+04 -3.9010E+04  1.9867E+03  2.9478E+03  2.4490E+03  0.0000E+00
 averages -2.8531E+04  0.0000E+00  2.6803E+04 -1.3409E+05  3.9006E+04  7.0841E+03  0.0000E+00  1.1481E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0191E+01  5.9320E+01  0.0000E+00  7.0932E-02
 ------------------------------------------------------------------------------------------------------------------------
      890 -2.8884E+04  3.0937E+02 -4.2787E+04 -1.1199E+04 -3.9025E+04  2.0118E+03  2.9262E+03  2.4988E+03  0.0000E+00
 890.000f -2.7830E+04  0.0000E+00  2.4647E+04 -1.3315E+05  3.9019E+04  5.4461E+03  0.0000E+00  1.1334E+05  0.0000E+00
   3.672m  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9881E+01  9.0193E+01  5.9323E+01  0.0000E+00  2.2447E-01

  rolling -2.8882E+04  3.0932E+02 -4.2783E+04 -1.1139E+04 -3.9024E+04  1.9847E+03  2.9435E+03  2.4512E+03  0.0000E+00
 averages -2.8467E+04  0.0000E+00  2.6559E+04 -1.3407E+05  3.9019E+04  6.8591E+03  0.0000E+00  1.1475E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0192E+01  5.9321E+01  0.0000E+00  8.8314E-02
 ------------------------------------------------------------------------------------------------------------------------
      900 -2.8891E+04  3.0951E+02 -4.2801E+04 -1.1230E+04 -3.8944E+04  1.9550E+03  2.9429E+03  2.4754E+03  0.0000E+00
 900.000f -2.8514E+04  0.0000E+00  2.6689E+04 -1.3281E+05  3.8938E+04  7.2635E+03  0.0000E+00  1.1329E+05  0.0000E+00
   3.710m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0194E+01  5.9323E+01  0.0000E+00  8.0376E-02

  rolling -2.8892E+04  3.0932E+02 -4.2793E+04 -1.1144E+04 -3.9029E+04  1.9886E+03  2.9400E+03  2.4513E+03  0.0000E+00
 averages -2.8457E+04  0.0000E+00  2.6500E+04 -1.3398E+05  3.9024E+04  6.7102E+03  0.0000E+00  1.1475E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0192E+01  5.9321E+01  0.0000E+00  9.2568E-02
 ------------------------------------------------------------------------------------------------------------------------
      910 -2.8902E+04  3.0777E+02 -4.2734E+04 -1.1302E+04 -3.8838E+04  1.9982E+03  2.9523E+03  2.4553E+03  0.0000E+00
 910.000f -2.9345E+04  0.0000E+00  2.8991E+04 -1.3191E+05  3.8831E+04  7.6568E+03  0.0000E+00  1.1441E+05  0.0000E+00
   3.748m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9323E+01  0.0000E+00 -9.4296E-02

  rolling -2.8905E+04  3.0909E+02 -4.2796E+04 -1.1151E+04 -3.9017E+04  1.9855E+03  2.9344E+03  2.4528E+03  0.0000E+00
 averages -2.8426E+04  0.0000E+00  2.6345E+04 -1.3388E+05  3.9013E+04  6.5683E+03  0.0000E+00  1.1464E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0192E+01  5.9322E+01  0.0000E+00  1.0208E-01
 ------------------------------------------------------------------------------------------------------------------------
      920 -2.8847E+04  3.1120E+02 -4.2833E+04 -1.1279E+04 -3.8915E+04  1.9682E+03  2.9676E+03  2.4254E+03  0.0000E+00
 920.000f -2.8900E+04  0.0000E+00  2.8133E+04 -1.3223E+05  3.8911E+04  6.3984E+03  0.0000E+00  1.1505E+05  0.0000E+00
   3.787m  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9322E+01  0.0000E+00 -1.1418E-02

  rolling -2.8904E+04  3.0932E+02 -4.2805E+04 -1.1167E+04 -3.9008E+04  1.9797E+03  2.9356E+03  2.4547E+03  0.0000E+00
 averages -2.8478E+04  0.0000E+00  2.6525E+04 -1.3365E+05  3.9003E+04  6.4816E+03  0.0000E+00  1.1469E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9322E+01  0.0000E+00  9.0788E-02
 ------------------------------------------------------------------------------------------------------------------------
      930 -2.8925E+04  3.0758E+02 -4.2748E+04 -1.1211E+04 -3.8897E+04  1.9791E+03  2.9513E+03  2.4294E+03  0.0000E+00
 930.000f -2.8944E+04  0.0000E+00  2.7704E+04 -1.3313E+05  3.8893E+04  7.1271E+03  0.0000E+00  1.1481E+05  0.0000E+00
   3.825m  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9322E+01  0.0000E+00 -4.1024E-03

  rolling -2.8910E+04  3.0914E+02 -4.2804E+04 -1.1180E+04 -3.8994E+04  1.9792E+03  2.9349E+03  2.4565E+03  0.0000E+00
 averages -2.8550E+04  0.0000E+00  2.6705E+04 -1.3348E+05  3.8989E+04  6.4875E+03  0.0000E+00  1.1471E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9322E+01  0.0000E+00  7.6839E-02
 ------------------------------------------------------------------------------------------------------------------------
      940 -2.8849E+04  3.0997E+02 -4.2779E+04 -1.1130E+04 -3.8977E+04  1.9930E+03  2.9013E+03  2.4337E+03  0.0000E+00
 940.000f -2.8321E+04  0.0000E+00  2.6280E+04 -1.3416E+05  3.8975E+04  7.6521E+03  0.0000E+00  1.1382E+05  0.0000E+00
   3.865m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0193E+01  5.9322E+01  0.0000E+00  1.1236E-01

  rolling -2.8903E+04  3.0916E+02 -4.2797E+04 -1.1187E+04 -3.8982E+04  1.9781E+03  2.9355E+03  2.4582E+03  0.0000E+00
 averages -2.8558E+04  0.0000E+00  2.6753E+04 -1.3338E+05  3.8977E+04  6.5002E+03  0.0000E+00  1.1466E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9322E+01  0.0000E+00  7.3536E-02
 ------------------------------------------------------------------------------------------------------------------------
      950 -2.8881E+04  3.0932E+02 -4.2782E+04 -1.1115E+04 -3.8996E+04  1.9534E+03  2.9083E+03  2.4669E+03  0.0000E+00
 950.000f -2.8106E+04  0.0000E+00  2.5476E+04 -1.3433E+05  3.8995E+04  6.7648E+03  0.0000E+00  1.1405E+05  0.0000E+00
   3.904m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0193E+01  5.9322E+01  0.0000E+00  1.6525E-01

  rolling -2.8897E+04  3.0912E+02 -4.2789E+04 -1.1187E+04 -3.8970E+04  1.9763E+03  2.9326E+03  2.4592E+03  0.0000E+00
 averages -2.8499E+04  0.0000E+00  2.6591E+04 -1.3338E+05  3.8966E+04  6.5679E+03  0.0000E+00  1.1444E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9322E+01  0.0000E+00  8.4807E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
      960 -2.8891E+04  3.1067E+02 -4.2853E+04 -1.1152E+04 -3.9111E+04  2.0175E+03  2.9117E+03  2.4816E+03  0.0000E+00
 960.000f -2.9268E+04  0.0000E+00  2.9055E+04 -1.3382E+05  3.9110E+04  7.6247E+03  0.0000E+00  1.1614E+05  0.0000E+00
   3.942m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0194E+01  5.9322E+01  0.0000E+00 -8.0312E-02

  rolling -2.8894E+04  3.0922E+02 -4.2791E+04 -1.1189E+04 -3.8972E+04  1.9774E+03  2.9316E+03  2.4619E+03  0.0000E+00
 averages -2.8560E+04  0.0000E+00  2.6791E+04 -1.3335E+05  3.8968E+04  6.7691E+03  0.0000E+00  1.1440E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0193E+01  5.9322E+01  0.0000E+00  7.1223E-02
 ------------------------------------------------------------------------------------------------------------------------
      970 -2.8957E+04  3.0680E+02 -4.2745E+04 -1.1184E+04 -3.8989E+04  1.9926E+03  2.9472E+03  2.4884E+03  0.0000E+00
 970.000f -2.9626E+04  0.0000E+00  2.9584E+04 -1.3343E+05  3.8988E+04  8.2099E+03  0.0000E+00  1.1582E+05  0.0000E+00
   3.980m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0195E+01  5.9322E+01  0.0000E+00 -1.4261E-01

  rolling -2.8899E+04  3.0895E+02 -4.2784E+04 -1.1192E+04 -3.8971E+04  1.9812E+03  2.9332E+03  2.4639E+03  0.0000E+00
 averages -2.8638E+04  0.0000E+00  2.6987E+04 -1.3333E+05  3.8967E+04  6.9644E+03  0.0000E+00  1.1438E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0193E+01  5.9322E+01  0.0000E+00  5.5631E-02
 ------------------------------------------------------------------------------------------------------------------------
      980 -2.8849E+04  3.0828E+02 -4.2704E+04 -1.1181E+04 -3.8968E+04  2.0022E+03  2.9520E+03  2.4913E+03  0.0000E+00
 980.000f -2.8742E+04  0.0000E+00  2.7388E+04 -1.3347E+05  3.8965E+04  6.9946E+03  0.0000E+00  1.1490E+05  0.0000E+00
   4.018m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0195E+01  5.9321E+01  0.0000E+00  2.2844E-02

  rolling -2.8888E+04  3.0908E+02 -4.2779E+04 -1.1197E+04 -3.8967E+04  1.9856E+03  2.9344E+03  2.4649E+03  0.0000E+00
 averages -2.8716E+04  0.0000E+00  2.7267E+04 -1.3326E+05  3.8964E+04  7.0631E+03  0.0000E+00  1.1450E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0194E+01  5.9322E+01  0.0000E+00  3.6541E-02
 ------------------------------------------------------------------------------------------------------------------------
      990 -2.8813E+04  3.0867E+02 -4.2685E+04 -1.1136E+04 -3.8975E+04  2.0095E+03  2.9367E+03  2.4801E+03  0.0000E+00
 990.000f -2.8078E+04  0.0000E+00  2.5540E+04 -1.3405E+05  3.8973E+04  7.4628E+03  0.0000E+00  1.1315E+05  0.0000E+00
   4.059m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0195E+01  5.9320E+01  0.0000E+00  1.5654E-01

  rolling -2.8881E+04  3.0909E+02 -4.2772E+04 -1.1195E+04 -3.8963E+04  1.9880E+03  2.9352E+03  2.4635E+03  0.0000E+00
 averages -2.8764E+04  0.0000E+00  2.7433E+04 -1.3329E+05  3.8960E+04  7.2202E+03  0.0000E+00  1.1454E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0194E+01  5.9322E+01  0.0000E+00  2.4803E-02
 ------------------------------------------------------------------------------------------------------------------------
     1000 -2.8780E+04  3.0876E+02 -4.2656E+04 -1.1109E+04 -3.9004E+04  1.9685E+03  3.0043E+03  2.4839E+03  0.0000E+00
   1.000p -2.8324E+04  0.0000E+00  2.6386E+04 -1.3437E+05  3.9000E+04  8.6982E+03  0.0000E+00  1.1305E+05  0.0000E+00
   4.098m  3.2181E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0197E+01  5.9320E+01  0.0000E+00  9.7033E-02

  rolling -2.8870E+04  3.0902E+02 -4.2758E+04 -1.1186E+04 -3.8963E+04  1.9869E+03  2.9409E+03  2.4630E+03  0.0000E+00
 averages -2.8771E+04  0.0000E+00  2.7479E+04 -1.3342E+05  3.8960E+04  7.4084E+03  0.0000E+00  1.1453E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0194E+01  5.9322E+01  0.0000E+00  2.1081E-02
 ------------------------------------------------------------------------------------------------------------------------
     1010 -2.8767E+04  3.1002E+02 -4.2700E+04 -1.1117E+04 -3.9020E+04  1.9853E+03  2.9647E+03  2.4880E+03  0.0000E+00
   1.010p -2.7950E+04  0.0000E+00  2.5415E+04 -1.3423E+05  3.9018E+04  7.5396E+03  0.0000E+00  1.1309E+05  0.0000E+00
   4.144m  3.2181E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0198E+01  5.9320E+01  0.0000E+00  1.7410E-01

  rolling -2.8856E+04  3.0922E+02 -4.2753E+04 -1.1171E+04 -3.8978E+04  1.9871E+03  2.9433E+03  2.4651E+03  0.0000E+00
 averages -2.8682E+04  0.0000E+00  2.7272E+04 -1.3361E+05  3.8976E+04  7.4550E+03  0.0000E+00  1.1445E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0194E+01  5.9322E+01  0.0000E+00  3.7090E-02
 ------------------------------------------------------------------------------------------------------------------------
     1020 -2.8802E+04  3.1030E+02 -4.2747E+04 -1.1195E+04 -3.8978E+04  1.9784E+03  2.9610E+03  2.4861E+03  0.0000E+00
   1.020p -2.8696E+04  0.0000E+00  2.7575E+04 -1.3311E+05  3.8975E+04  6.8727E+03  0.0000E+00  1.1484E+05  0.0000E+00
   4.183m  3.2182E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0200E+01  5.9319E+01  0.0000E+00  2.2469E-02

  rolling -2.8852E+04  3.0911E+02 -4.2744E+04 -1.1157E+04 -3.8989E+04  1.9886E+03  2.9427E+03  2.4703E+03  0.0000E+00
 averages -2.8603E+04  0.0000E+00  2.7038E+04 -1.3377E+05  3.8986E+04  7.4658E+03  0.0000E+00  1.1436E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0195E+01  5.9321E+01  0.0000E+00  5.2976E-02
 ------------------------------------------------------------------------------------------------------------------------
     1030 -2.8851E+04  3.0922E+02 -4.2748E+04 -1.1224E+04 -3.8951E+04  1.9850E+03  2.9747E+03  2.4669E+03  0.0000E+00
   1.030p -2.9328E+04  0.0000E+00  2.9226E+04 -1.3263E+05  3.8947E+04  8.2161E+03  0.0000E+00  1.1469E+05  0.0000E+00
   4.224m  3.2181E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0201E+01  5.9319E+01  0.0000E+00 -1.0171E-01

  rolling -2.8844E+04  3.0925E+02 -4.2742E+04 -1.1154E+04 -3.8996E+04  1.9873E+03  2.9449E+03  2.4752E+03  0.0000E+00
 averages -2.8624E+04  0.0000E+00  2.7135E+04 -1.3378E+05  3.8994E+04  7.5550E+03  0.0000E+00  1.1437E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0196E+01  5.9321E+01  0.0000E+00  4.6929E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1040 -2.8845E+04  3.0746E+02 -4.2663E+04 -1.1263E+04 -3.8833E+04  2.0060E+03  2.9755E+03  2.4522E+03  0.0000E+00
   1.040p -2.9305E+04  0.0000E+00  2.9013E+04 -1.3201E+05  3.8830E+04  7.7604E+03  0.0000E+00  1.1444E+05  0.0000E+00
   4.260m  3.2181E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0200E+01  5.9318E+01  0.0000E+00 -9.7837E-02

  rolling -2.8844E+04  3.0914E+02 -4.2738E+04 -1.1162E+04 -3.8990E+04  1.9896E+03  2.9470E+03  2.4779E+03  0.0000E+00
 averages -2.8702E+04  0.0000E+00  2.7359E+04 -1.3364E+05  3.8988E+04  7.6185E+03  0.0000E+00  1.1439E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0197E+01  5.9321E+01  0.0000E+00  3.0382E-02
 ------------------------------------------------------------------------------------------------------------------------
     1050 -2.8766E+04  3.1034E+02 -4.2713E+04 -1.1284E+04 -3.8848E+04  1.9941E+03  2.9843E+03  2.4402E+03  0.0000E+00
   1.050p -2.9060E+04  0.0000E+00  2.8776E+04 -1.3165E+05  3.8846E+04  6.8704E+03  0.0000E+00  1.1471E+05  0.0000E+00
   4.300m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0200E+01  5.9318E+01  0.0000E+00 -6.2653E-02

  rolling -2.8832E+04  3.0925E+02 -4.2731E+04 -1.1178E+04 -3.8975E+04  1.9922E+03  2.9535E+03  2.4772E+03  0.0000E+00
 averages -2.8808E+04  0.0000E+00  2.7722E+04 -1.3338E+05  3.8973E+04  7.6139E+03  0.0000E+00  1.1452E+05  0.0000E+00
           3.2181E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0197E+01  5.9320E+01  0.0000E+00  5.2369E-03
 ------------------------------------------------------------------------------------------------------------------------
     1060 -2.8809E+04  3.0868E+02 -4.2682E+04 -1.1310E+04 -3.8792E+04  1.9543E+03  3.0153E+03  2.4502E+03  0.0000E+00
   1.060p -2.9645E+04  0.0000E+00  3.0253E+04 -1.3124E+05  3.8789E+04  8.0116E+03  0.0000E+00  1.1470E+05  0.0000E+00
   4.339m  3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0201E+01  5.9317E+01  0.0000E+00 -1.7809E-01

  rolling -2.8824E+04  3.0912E+02 -4.2717E+04 -1.1194E+04 -3.8951E+04  1.9907E+03  2.9632E+03  2.4740E+03  0.0000E+00
 averages -2.8861E+04  0.0000E+00  2.7894E+04 -1.3313E+05  3.8948E+04  7.6487E+03  0.0000E+00  1.1443E+05  0.0000E+00
           3.2181E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0198E+01  5.9320E+01  0.0000E+00 -7.7682E-03
 ------------------------------------------------------------------------------------------------------------------------
     1070 -2.8784E+04  3.0779E+02 -4.2617E+04 -1.1315E+04 -3.8758E+04  2.0254E+03  2.9630E+03  2.4681E+03  0.0000E+00
   1.070p -2.9483E+04  0.0000E+00  2.9763E+04 -1.3116E+05  3.8754E+04  8.1676E+03  0.0000E+00  1.1400E+05  0.0000E+00
   4.377m  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0201E+01  5.9316E+01  0.0000E+00 -1.4900E-01

  rolling -2.8807E+04  3.0913E+02 -4.2700E+04 -1.1208E+04 -3.8922E+04  1.9891E+03  2.9698E+03  2.4714E+03  0.0000E+00
 averages -2.8869E+04  0.0000E+00  2.7971E+04 -1.3288E+05  3.8919E+04  7.6642E+03  0.0000E+00  1.1427E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9319E+01  0.0000E+00 -1.3123E-02
 ------------------------------------------------------------------------------------------------------------------------
     1080 -2.8724E+04  3.1069E+02 -4.2687E+04 -1.1338E+04 -3.8791E+04  1.9763E+03  2.9740E+03  2.4916E+03  0.0000E+00
   1.080p -2.9103E+04  0.0000E+00  2.9062E+04 -1.3081E+05  3.8787E+04  7.4325E+03  0.0000E+00  1.1365E+05  0.0000E+00
   4.417m  3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0201E+01  5.9315E+01  0.0000E+00 -8.0723E-02

  rolling -2.8794E+04  3.0928E+02 -4.2694E+04 -1.1222E+04 -3.8904E+04  1.9886E+03  2.9722E+03  2.4704E+03  0.0000E+00
 averages -2.8864E+04  0.0000E+00  2.8008E+04 -1.3265E+05  3.8900E+04  7.6701E+03  0.0000E+00  1.1409E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9319E+01  0.0000E+00 -1.4837E-02
 ------------------------------------------------------------------------------------------------------------------------
     1090 -2.8787E+04  3.0712E+02 -4.2589E+04 -1.1328E+04 -3.8710E+04  1.9955E+03  2.9705E+03  2.4828E+03  0.0000E+00
   1.090p -2.9246E+04  0.0000E+00  2.8983E+04 -1.3090E+05  3.8707E+04  8.8874E+03  0.0000E+00  1.1229E+05  0.0000E+00
   4.453m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0200E+01  5.9314E+01  0.0000E+00 -9.7864E-02

  rolling -2.8792E+04  3.0908E+02 -4.2682E+04 -1.1240E+04 -3.8881E+04  1.9889E+03  2.9791E+03  2.4711E+03  0.0000E+00
 averages -2.8973E+04  0.0000E+00  2.8323E+04 -1.3234E+05  3.8878E+04  7.7834E+03  0.0000E+00  1.1401E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0200E+01  5.9318E+01  0.0000E+00 -3.8491E-02
 ------------------------------------------------------------------------------------------------------------------------
     1100 -2.8702E+04  3.0935E+02 -4.2605E+04 -1.1314E+04 -3.8744E+04  2.0231E+03  2.9622E+03  2.4681E+03  0.0000E+00
   1.100p -2.9376E+04  0.0000E+00  2.9828E+04 -1.3111E+05  3.8741E+04  9.8927E+03  0.0000E+00  1.1230E+05  0.0000E+00
   4.494m  3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9314E+01  0.0000E+00 -1.4365E-01

  rolling -2.8784E+04  3.0919E+02 -4.2680E+04 -1.1260E+04 -3.8855E+04  1.9879E+03  2.9767E+03  2.4702E+03  0.0000E+00
 averages -2.9064E+04  0.0000E+00  2.8632E+04 -1.3203E+05  3.8851E+04  7.9103E+03  0.0000E+00  1.1390E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0200E+01  5.9317E+01  0.0000E+00 -5.9701E-02
 ------------------------------------------------------------------------------------------------------------------------
     1110 -2.8707E+04  3.1113E+02 -4.2690E+04 -1.1354E+04 -3.8748E+04  1.9874E+03  2.9656E+03  2.4593E+03  0.0000E+00
   1.110p -2.9637E+04  0.0000E+00  3.0755E+04 -1.3058E+05  3.8744E+04  8.9989E+03  0.0000E+00  1.1359E+05  0.0000E+00
   4.530m  3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0199E+01  5.9314E+01  0.0000E+00 -1.9810E-01

  rolling -2.8778E+04  3.0914E+02 -4.2671E+04 -1.1283E+04 -3.8827E+04  1.9935E+03  2.9766E+03  2.4681E+03  0.0000E+00
 averages -2.9210E+04  0.0000E+00  2.9083E+04 -1.3167E+05  3.8823E+04  8.0390E+03  0.0000E+00  1.1389E+05  0.0000E+00
           3.2180E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0200E+01  5.9317E+01  0.0000E+00 -9.2083E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1120 -2.8801E+04  3.1038E+02 -4.2750E+04 -1.1350E+04 -3.8838E+04  2.0271E+03  2.9292E+03  2.4821E+03  0.0000E+00
   1.120p -2.9768E+04  0.0000E+00  3.0800E+04 -1.3067E+05  3.8834E+04  9.2756E+03  0.0000E+00  1.1336E+05  0.0000E+00
   4.570m  3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9313E+01  0.0000E+00 -2.0611E-01

  rolling -2.8778E+04  3.0915E+02 -4.2671E+04 -1.1301E+04 -3.8808E+04  1.9959E+03  2.9754E+03  2.4659E+03  0.0000E+00
 averages -2.9350E+04  0.0000E+00  2.9503E+04 -1.3139E+05  3.8804E+04  8.2420E+03  0.0000E+00  1.1384E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0200E+01  5.9316E+01  0.0000E+00 -1.2186E-01
 ------------------------------------------------------------------------------------------------------------------------
     1130 -2.8856E+04  3.0732E+02 -4.2667E+04 -1.1375E+04 -3.8770E+04  1.9594E+03  3.0135E+03  2.5043E+03  0.0000E+00
   1.130p -3.0243E+04  0.0000E+00  3.1785E+04 -1.3042E+05  3.8766E+04  9.7655E+03  0.0000E+00  1.1367E+05  0.0000E+00
   4.609m  3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0198E+01  5.9313E+01  0.0000E+00 -2.9568E-01

  rolling -2.8778E+04  3.0908E+02 -4.2669E+04 -1.1317E+04 -3.8791E+04  1.9952E+03  2.9756E+03  2.4681E+03  0.0000E+00
 averages -2.9448E+04  0.0000E+00  2.9791E+04 -1.3115E+05  3.8788E+04  8.4467E+03  0.0000E+00  1.1371E+05  0.0000E+00
           3.2179E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0200E+01  5.9316E+01  0.0000E+00 -1.4279E-01
 ------------------------------------------------------------------------------------------------------------------------
     1140 -2.8765E+04  3.0718E+02 -4.2570E+04 -1.1353E+04 -3.8709E+04  2.0044E+03  2.9746E+03  2.5131E+03  0.0000E+00
   1.140p -2.9602E+04  0.0000E+00  3.0124E+04 -1.3073E+05  3.8704E+04  8.8411E+03  0.0000E+00  1.1330E+05  0.0000E+00
   4.648m  3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9312E+01  0.0000E+00 -1.7851E-01

  rolling -2.8770E+04  3.0909E+02 -4.2661E+04 -1.1329E+04 -3.8776E+04  1.9946E+03  2.9763E+03  2.4729E+03  0.0000E+00
 averages -2.9504E+04  0.0000E+00  2.9983E+04 -1.3097E+05  3.8772E+04  8.5587E+03  0.0000E+00  1.1362E+05  0.0000E+00
           3.2178E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0200E+01  5.9315E+01  0.0000E+00 -1.5632E-01
 ------------------------------------------------------------------------------------------------------------------------
     1150 -2.8671E+04  3.1052E+02 -4.2626E+04 -1.1376E+04 -3.8813E+04  2.0226E+03  3.0196E+03  2.5208E+03  0.0000E+00
   1.150p -3.0240E+04  0.0000E+00  3.2617E+04 -1.3040E+05  3.8808E+04  9.3491E+03  0.0000E+00  1.1486E+05  0.0000E+00
   4.686m  3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9311E+01  0.0000E+00 -3.3439E-01

  rolling -2.8761E+04  3.0905E+02 -4.2650E+04 -1.1339E+04 -3.8768E+04  1.9967E+03  2.9788E+03  2.4806E+03  0.0000E+00
 averages -2.9570E+04  0.0000E+00  3.0205E+04 -1.3084E+05  3.8763E+04  8.7418E+03  0.0000E+00  1.1354E+05  0.0000E+00
           3.2177E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0200E+01  5.9314E+01  0.0000E+00 -1.7235E-01
 ------------------------------------------------------------------------------------------------------------------------
     1160 -2.8745E+04  3.1048E+02 -4.2698E+04 -1.1343E+04 -3.8857E+04  2.0025E+03  2.9891E+03  2.5105E+03  0.0000E+00
   1.160p -3.0792E+04  0.0000E+00  3.4048E+04 -1.3089E+05  3.8853E+04  1.0348E+04  0.0000E+00  1.1574E+05  0.0000E+00
   4.724m  3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9311E+01  0.0000E+00 -4.3628E-01

  rolling -2.8754E+04  3.0930E+02 -4.2655E+04 -1.1346E+04 -3.8771E+04  1.9990E+03  2.9755E+03  2.4875E+03  0.0000E+00
 averages -2.9714E+04  0.0000E+00  3.0680E+04 -1.3075E+05  3.8767E+04  9.0008E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9314E+01  0.0000E+00 -2.0446E-01
 ------------------------------------------------------------------------------------------------------------------------
     1170 -2.8793E+04  3.0853E+02 -4.2659E+04 -1.1362E+04 -3.8788E+04  1.9786E+03  3.0076E+03  2.5037E+03  0.0000E+00
   1.170p -3.0050E+04  0.0000E+00  3.1502E+04 -1.3071E+05  3.8784E+04  8.6486E+03  0.0000E+00  1.1478E+05  0.0000E+00
   4.763m  3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0199E+01  5.9311E+01  0.0000E+00 -2.6784E-01

  rolling -2.8755E+04  3.0937E+02 -4.2659E+04 -1.1349E+04 -3.8776E+04  2.0005E+03  2.9736E+03  2.4923E+03  0.0000E+00
 averages -2.9801E+04  0.0000E+00  3.0946E+04 -1.3071E+05  3.8771E+04  9.1322E+03  0.0000E+00  1.1376E+05  0.0000E+00
           3.2176E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9313E+01  0.0000E+00 -2.2295E-01
 ------------------------------------------------------------------------------------------------------------------------
     1180 -2.8764E+04  3.0873E+02 -4.2638E+04 -1.1326E+04 -3.8785E+04  2.0059E+03  2.9809E+03  2.4860E+03  0.0000E+00
   1.180p -2.9321E+04  0.0000E+00  2.9421E+04 -1.3123E+05  3.8783E+04  8.0841E+03  0.0000E+00  1.1379E+05  0.0000E+00
   4.801m  3.2169E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9310E+01  0.0000E+00 -1.1875E-01

  rolling -2.8759E+04  3.0928E+02 -4.2659E+04 -1.1353E+04 -3.8776E+04  1.9997E+03  2.9766E+03  2.4934E+03  0.0000E+00
 averages -2.9851E+04  0.0000E+00  3.1074E+04 -1.3069E+05  3.8772E+04  9.1760E+03  0.0000E+00  1.1382E+05  0.0000E+00
           3.2175E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9312E+01  0.0000E+00 -2.3266E-01
 ------------------------------------------------------------------------------------------------------------------------
     1190 -2.8744E+04  3.1064E+02 -4.2704E+04 -1.1297E+04 -3.8830E+04  2.0158E+03  2.9187E+03  2.4883E+03  0.0000E+00
   1.190p -2.9416E+04  0.0000E+00  2.9938E+04 -1.3164E+05  3.8828E+04  9.7580E+03  0.0000E+00  1.1299E+05  0.0000E+00
   4.841m  3.2168E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9309E+01  0.0000E+00 -1.4333E-01

  rolling -2.8755E+04  3.0957E+02 -4.2668E+04 -1.1349E+04 -3.8782E+04  1.9993E+03  2.9710E+03  2.4930E+03  0.0000E+00
 averages -2.9844E+04  0.0000E+00  3.1093E+04 -1.3078E+05  3.8778E+04  9.2546E+03  0.0000E+00  1.1384E+05  0.0000E+00
           3.2174E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9312E+01  0.0000E+00 -2.3207E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1200 -2.8795E+04  3.1008E+02 -4.2731E+04 -1.1252E+04 -3.8902E+04  1.9924E+03  2.9367E+03  2.4941E+03  0.0000E+00
   1.200p -2.9244E+04  0.0000E+00  2.9216E+04 -1.3223E+05  3.8901E+04  9.2794E+03  0.0000E+00  1.1327E+05  0.0000E+00
   4.880m  3.2168E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0198E+01  5.9309E+01  0.0000E+00 -9.5560E-02

  rolling -2.8764E+04  3.0944E+02 -4.2671E+04 -1.1345E+04 -3.8796E+04  2.0039E+03  2.9709E+03  2.4949E+03  0.0000E+00
 averages -2.9874E+04  0.0000E+00  3.1143E+04 -1.3086E+05  3.8792E+04  9.2862E+03  0.0000E+00  1.1392E+05  0.0000E+00
           3.2173E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9312E+01  0.0000E+00 -2.3653E-01
 ------------------------------------------------------------------------------------------------------------------------
     1210 -2.8848E+04  3.0940E+02 -4.2753E+04 -1.1210E+04 -3.9010E+04  2.0362E+03  2.9402E+03  2.4909E+03  0.0000E+00
   1.210p -2.8767E+04  0.0000E+00  2.7568E+04 -1.3274E+05  3.9008E+04  7.1146E+03  0.0000E+00  1.1418E+05  0.0000E+00
   4.919m  3.2168E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9309E+01  0.0000E+00  1.7185E-02

  rolling -2.8778E+04  3.0948E+02 -4.2687E+04 -1.1333E+04 -3.8819E+04  2.0007E+03  2.9664E+03  2.4979E+03  0.0000E+00
 averages -2.9804E+04  0.0000E+00  3.0894E+04 -1.3105E+05  3.8816E+04  9.1327E+03  0.0000E+00  1.1399E+05  0.0000E+00
           3.2172E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9311E+01  0.0000E+00 -2.1859E-01
 ------------------------------------------------------------------------------------------------------------------------
     1220 -2.8846E+04  3.0832E+02 -4.2702E+04 -1.1224E+04 -3.8893E+04  1.9831E+03  2.9663E+03  2.4648E+03  0.0000E+00
   1.220p -2.8779E+04  0.0000E+00  2.7512E+04 -1.3253E+05  3.8890E+04  7.5994E+03  0.0000E+00  1.1355E+05  0.0000E+00
   4.957m  3.2168E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9308E+01  0.0000E+00  1.4262E-02

  rolling -2.8783E+04  3.0932E+02 -4.2684E+04 -1.1320E+04 -3.8834E+04  2.0014E+03  2.9686E+03  2.4990E+03  0.0000E+00
 averages -2.9706E+04  0.0000E+00  3.0573E+04 -1.3124E+05  3.8830E+04  8.9436E+03  0.0000E+00  1.1404E+05  0.0000E+00
           3.2171E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9311E+01  0.0000E+00 -1.9677E-01
 ------------------------------------------------------------------------------------------------------------------------
     1230 -2.8802E+04  3.0920E+02 -4.2698E+04 -1.1239E+04 -3.8902E+04  1.9862E+03  3.0033E+03  2.4539E+03  0.0000E+00
   1.230p -2.9473E+04  0.0000E+00  2.9805E+04 -1.3231E+05  3.8901E+04  9.0356E+03  0.0000E+00  1.1418E+05  0.0000E+00
   4.994m  3.2167E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9308E+01  0.0000E+00 -1.4303E-01

  rolling -2.8777E+04  3.0934E+02 -4.2680E+04 -1.1306E+04 -3.8843E+04  2.0032E+03  2.9705E+03  2.4948E+03  0.0000E+00
 averages -2.9609E+04  0.0000E+00  3.0298E+04 -1.3144E+05  3.8840E+04  8.8404E+03  0.0000E+00  1.1406E+05  0.0000E+00
           3.2170E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9310E+01  0.0000E+00 -1.7714E-01
 ------------------------------------------------------------------------------------------------------------------------
     1240 -2.8807E+04  3.0961E+02 -4.2722E+04 -1.1296E+04 -3.8829E+04  2.0223E+03  2.9326E+03  2.4489E+03  0.0000E+00
   1.240p -2.9586E+04  0.0000E+00  3.0165E+04 -1.3153E+05  3.8826E+04  7.9968E+03  0.0000E+00  1.1488E+05  0.0000E+00
   5.036m  3.2167E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0199E+01  5.9308E+01  0.0000E+00 -1.6599E-01

  rolling -2.8782E+04  3.0948E+02 -4.2690E+04 -1.1297E+04 -3.8855E+04  2.0031E+03  2.9694E+03  2.4891E+03  0.0000E+00
 averages -2.9585E+04  0.0000E+00  3.0227E+04 -1.3156E+05  3.8852E+04  8.7593E+03  0.0000E+00  1.1418E+05  0.0000E+00
           3.2169E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9310E+01  0.0000E+00 -1.7124E-01
 ------------------------------------------------------------------------------------------------------------------------
     1250 -2.8825E+04  3.1022E+02 -4.2767E+04 -1.1284E+04 -3.8836E+04  1.9527E+03  2.9197E+03  2.4804E+03  0.0000E+00
   1.250p -2.9197E+04  0.0000E+00  2.9002E+04 -1.3175E+05  3.8834E+04  8.0022E+03  0.0000E+00  1.1391E+05  0.0000E+00
   5.074m  3.2166E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0199E+01  5.9307E+01  0.0000E+00 -7.9430E-02

  rolling -2.8797E+04  3.0949E+02 -4.2706E+04 -1.1289E+04 -3.8865E+04  2.0006E+03  2.9637E+03  2.4836E+03  0.0000E+00
 averages -2.9530E+04  0.0000E+00  3.0019E+04 -1.3168E+05  3.8862E+04  8.6513E+03  0.0000E+00  1.1419E+05  0.0000E+00
           3.2168E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9309E+01  0.0000E+00 -1.5636E-01
 ------------------------------------------------------------------------------------------------------------------------
     1260 -2.8864E+04  3.0571E+02 -4.2603E+04 -1.1285E+04 -3.8780E+04  2.0150E+03  2.9383E+03  2.5078E+03  0.0000E+00
   1.260p -3.0127E+04  0.0000E+00  3.1267E+04 -1.3175E+05  3.8775E+04  8.8523E+03  0.0000E+00  1.1539E+05  0.0000E+00
   5.112m  3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9891E+01  9.0200E+01  5.9307E+01  0.0000E+00 -2.6920E-01

  rolling -2.8809E+04  3.0905E+02 -4.2698E+04 -1.1281E+04 -3.8857E+04  1.9995E+03  2.9586E+03  2.4818E+03  0.0000E+00
 averages -2.9437E+04  0.0000E+00  2.9662E+04 -1.3179E+05  3.8854E+04  8.5063E+03  0.0000E+00  1.1409E+05  0.0000E+00
           3.2168E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9309E+01  0.0000E+00 -1.3385E-01
 ------------------------------------------------------------------------------------------------------------------------
     1270 -2.8719E+04  3.0912E+02 -4.2611E+04 -1.1266E+04 -3.8844E+04  2.0341E+03  2.9320E+03  2.5329E+03  0.0000E+00
   1.270p -2.9147E+04  0.0000E+00  2.9068E+04 -1.3208E+05  3.8840E+04  8.2825E+03  0.0000E+00  1.1402E+05  0.0000E+00
   5.150m  3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9890E+01  9.0199E+01  5.9307E+01  0.0000E+00 -9.1235E-02

  rolling -2.8801E+04  3.0918E+02 -4.2696E+04 -1.1273E+04 -3.8859E+04  2.0009E+03  2.9515E+03  2.4832E+03  0.0000E+00
 averages -2.9341E+04  0.0000E+00  2.9408E+04 -1.3191E+05  3.8856E+04  8.4013E+03  0.0000E+00  1.1406E+05  0.0000E+00
           3.2167E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9308E+01  0.0000E+00 -1.1494E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1280 -2.8704E+04  3.0772E+02 -4.2534E+04 -1.1319E+04 -3.8799E+04  1.9632E+03  3.0768E+03  2.5439E+03  0.0000E+00
   1.280p -2.9496E+04  0.0000E+00  3.0035E+04 -1.3140E+05  3.8795E+04  8.1151E+03  0.0000E+00  1.1452E+05  0.0000E+00
   5.191m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9306E+01  0.0000E+00 -1.6883E-01

  rolling -2.8796E+04  3.0903E+02 -4.2684E+04 -1.1266E+04 -3.8862E+04  2.0024E+03  2.9539E+03  2.4879E+03  0.0000E+00
 averages -2.9299E+04  0.0000E+00  2.9287E+04 -1.3200E+05  3.8859E+04  8.4090E+03  0.0000E+00  1.1402E+05  0.0000E+00
           3.2167E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9308E+01  0.0000E+00 -1.0729E-01
 ------------------------------------------------------------------------------------------------------------------------
     1290 -2.8646E+04  3.1002E+02 -4.2578E+04 -1.1294E+04 -3.8845E+04  2.0281E+03  2.9796E+03  2.5531E+03  0.0000E+00
   1.290p -2.8873E+04  0.0000E+00  2.8549E+04 -1.3179E+05  3.8841E+04  8.2629E+03  0.0000E+00  1.1323E+05  0.0000E+00
   5.229m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0200E+01  5.9306E+01  0.0000E+00 -4.8540E-02

  rolling -2.8786E+04  3.0897E+02 -4.2672E+04 -1.1268E+04 -3.8864E+04  2.0025E+03  2.9628E+03  2.4942E+03  0.0000E+00
 averages -2.9305E+04  0.0000E+00  2.9328E+04 -1.3200E+05  3.8861E+04  8.3415E+03  0.0000E+00  1.1412E+05  0.0000E+00
           3.2166E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9308E+01  0.0000E+00 -1.1059E-01
 ------------------------------------------------------------------------------------------------------------------------
     1300 -2.8687E+04  3.1188E+02 -4.2703E+04 -1.1307E+04 -3.8823E+04  1.9670E+03  2.9018E+03  2.5584E+03  0.0000E+00
   1.300p -2.8455E+04  0.0000E+00  2.7338E+04 -1.3165E+05  3.8819E+04  7.0406E+03  0.0000E+00  1.1313E+05  0.0000E+00
   5.269m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0199E+01  5.9306E+01  0.0000E+00  4.9357E-02

  rolling -2.8775E+04  3.0921E+02 -4.2671E+04 -1.1269E+04 -3.8861E+04  1.9976E+03  2.9610E+03  2.5007E+03  0.0000E+00
 averages -2.9210E+04  0.0000E+00  2.9099E+04 -1.3198E+05  3.8858E+04  8.1188E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2166E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9307E+01  0.0000E+00 -9.2800E-02
 ------------------------------------------------------------------------------------------------------------------------
     1310 -2.8807E+04  3.1083E+02 -4.2776E+04 -1.1267E+04 -3.8918E+04  1.9893E+03  2.8808E+03  2.5390E+03  0.0000E+00
   1.310p -2.8059E+04  0.0000E+00  2.5697E+04 -1.3220E+05  3.8914E+04  6.2042E+03  0.0000E+00  1.1278E+05  0.0000E+00
   5.305m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0198E+01  5.9306E+01  0.0000E+00  1.5935E-01

  rolling -2.8771E+04  3.0915E+02 -4.2665E+04 -1.1276E+04 -3.8849E+04  1.9974E+03  2.9569E+03  2.5063E+03  0.0000E+00
 averages -2.9155E+04  0.0000E+00  2.8940E+04 -1.3191E+05  3.8846E+04  7.9715E+03  0.0000E+00  1.1404E+05  0.0000E+00
           3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9307E+01  0.0000E+00 -8.1853E-02
 ------------------------------------------------------------------------------------------------------------------------
     1320 -2.8889E+04  3.0911E+02 -4.2781E+04 -1.1290E+04 -3.8963E+04  2.0129E+03  2.9398E+03  2.5187E+03  0.0000E+00
   1.320p -2.8701E+04  0.0000E+00  2.7221E+04 -1.3193E+05  3.8957E+04  6.9389E+03  0.0000E+00  1.1326E+05  0.0000E+00
   5.347m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00  4.0027E-02

  rolling -2.8775E+04  3.0929E+02 -4.2675E+04 -1.1282E+04 -3.8851E+04  1.9960E+03  2.9507E+03  2.5112E+03  0.0000E+00
 averages -2.9120E+04  0.0000E+00  2.8836E+04 -1.3186E+05  3.8848E+04  7.9139E+03  0.0000E+00  1.1393E+05  0.0000E+00
           3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9889E+01  9.0199E+01  5.9307E+01  0.0000E+00 -7.3603E-02
 ------------------------------------------------------------------------------------------------------------------------
     1330 -2.8879E+04  3.0903E+02 -4.2767E+04 -1.1235E+04 -3.8947E+04  1.9823E+03  2.9364E+03  2.4967E+03  0.0000E+00
   1.330p -2.8567E+04  0.0000E+00  2.6842E+04 -1.3264E+05  3.8944E+04  7.2691E+03  0.0000E+00  1.1327E+05  0.0000E+00
   5.382m  3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0197E+01  5.9307E+01  0.0000E+00  6.6434E-02

  rolling -2.8783E+04  3.0930E+02 -4.2683E+04 -1.1286E+04 -3.8855E+04  1.9956E+03  2.9464E+03  2.5164E+03  0.0000E+00
 averages -2.9080E+04  0.0000E+00  2.8691E+04 -1.3183E+05  3.8852E+04  7.7734E+03  0.0000E+00  1.1390E+05  0.0000E+00
           3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9307E+01  0.0000E+00 -6.3244E-02
 ------------------------------------------------------------------------------------------------------------------------
     1340 -2.8878E+04  3.1031E+02 -4.2824E+04 -1.1208E+04 -3.9007E+04  2.0028E+03  2.9115E+03  2.4768E+03  0.0000E+00
   1.340p -2.8613E+04  0.0000E+00  2.7097E+04 -1.3294E+05  3.9003E+04  7.5452E+03  0.0000E+00  1.1349E+05  0.0000E+00
   5.423m  3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0197E+01  5.9307E+01  0.0000E+00  5.6498E-02

  rolling -2.8790E+04  3.0935E+02 -4.2693E+04 -1.1280E+04 -3.8869E+04  1.9963E+03  2.9402E+03  2.5196E+03  0.0000E+00
 averages -2.8963E+04  0.0000E+00  2.8325E+04 -1.3195E+05  3.8865E+04  7.6562E+03  0.0000E+00  1.1375E+05  0.0000E+00
           3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9307E+01  0.0000E+00 -3.6898E-02
 ------------------------------------------------------------------------------------------------------------------------
     1350 -2.8920E+04  3.0682E+02 -4.2709E+04 -1.1153E+04 -3.8933E+04  1.9805E+03  2.9237E+03  2.4731E+03  0.0000E+00
   1.350p -2.8939E+04  0.0000E+00  2.7638E+04 -1.3363E+05  3.8928E+04  8.6270E+03  0.0000E+00  1.1371E+05  0.0000E+00
   5.462m  3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9307E+01  0.0000E+00 -4.2097E-03

  rolling -2.8800E+04  3.0916E+02 -4.2694E+04 -1.1269E+04 -3.8880E+04  1.9971E+03  2.9377E+03  2.5208E+03  0.0000E+00
 averages -2.8931E+04  0.0000E+00  2.8183E+04 -1.3210E+05  3.8876E+04  7.6908E+03  0.0000E+00  1.1372E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9307E+01  0.0000E+00 -2.8055E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1360 -2.8812E+04  3.0964E+02 -4.2728E+04 -1.1098E+04 -3.9012E+04  2.0083E+03  2.9209E+03  2.4534E+03  0.0000E+00
   1.360p -2.8747E+04  0.0000E+00  2.7636E+04 -1.3429E+05  3.9010E+04  8.3696E+03  0.0000E+00  1.1455E+05  0.0000E+00
   5.500m  3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9307E+01  0.0000E+00  1.3868E-02

  rolling -2.8794E+04  3.0946E+02 -4.2702E+04 -1.1252E+04 -3.8899E+04  1.9956E+03  2.9367E+03  2.5171E+03  0.0000E+00
 averages -2.8826E+04  0.0000E+00  2.7909E+04 -1.3234E+05  3.8895E+04  7.6931E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9307E+01  0.0000E+00 -6.6602E-03
 ------------------------------------------------------------------------------------------------------------------------
     1370 -2.8828E+04  3.0978E+02 -4.2750E+04 -1.1098E+04 -3.9012E+04  1.9917E+03  2.8919E+03  2.4758E+03  0.0000E+00
   1.370p -2.8532E+04  0.0000E+00  2.6957E+04 -1.3424E+05  3.9007E+04  7.6833E+03  0.0000E+00  1.1451E+05  0.0000E+00
   5.538m  3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0197E+01  5.9306E+01  0.0000E+00  6.3034E-02

  rolling -2.8805E+04  3.0939E+02 -4.2710E+04 -1.1235E+04 -3.8918E+04  1.9956E+03  2.9364E+03  2.5115E+03  0.0000E+00
 averages -2.8735E+04  0.0000E+00  2.7599E+04 -1.3257E+05  3.8914E+04  7.6256E+03  0.0000E+00  1.1363E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9306E+01  0.0000E+00  1.4914E-02
 ------------------------------------------------------------------------------------------------------------------------
     1380 -2.8850E+04  3.0810E+02 -4.2697E+04 -1.1143E+04 -3.8990E+04  2.0031E+03  2.9452E+03  2.4877E+03  0.0000E+00
   1.380p -2.9380E+04  0.0000E+00  2.9284E+04 -1.3362E+05  3.8988E+04  9.4772E+03  0.0000E+00  1.1444E+05  0.0000E+00
   5.575m  3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00 -1.1301E-01

  rolling -2.8820E+04  3.0941E+02 -4.2725E+04 -1.1217E+04 -3.8936E+04  1.9946E+03  2.9276E+03  2.5056E+03  0.0000E+00
 averages -2.8696E+04  0.0000E+00  2.7439E+04 -1.3280E+05  3.8932E+04  7.6642E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00  2.6430E-02
 ------------------------------------------------------------------------------------------------------------------------
     1390 -2.8810E+04  3.1062E+02 -4.2770E+04 -1.1195E+04 -3.9014E+04  1.9935E+03  2.9323E+03  2.5132E+03  0.0000E+00
   1.390p -2.9839E+04  0.0000E+00  3.1007E+04 -1.3294E+05  3.9011E+04  1.0171E+04  0.0000E+00  1.1476E+05  0.0000E+00
   5.617m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00 -2.1939E-01

  rolling -2.8836E+04  3.0941E+02 -4.2742E+04 -1.1203E+04 -3.8955E+04  1.9944E+03  2.9203E+03  2.5011E+03  0.0000E+00
 averages -2.8747E+04  0.0000E+00  2.7543E+04 -1.3297E+05  3.8951E+04  7.8523E+03  0.0000E+00  1.1371E+05  0.0000E+00
           3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00  1.9048E-02
 ------------------------------------------------------------------------------------------------------------------------
     1400 -2.8876E+04  3.0965E+02 -4.2792E+04 -1.1186E+04 -3.9014E+04  1.9816E+03  2.9145E+03  2.5122E+03  0.0000E+00
   1.400p -2.8827E+04  0.0000E+00  2.7687E+04 -1.3306E+05  3.9011E+04  8.2110E+03  0.0000E+00  1.1353E+05  0.0000E+00
   5.655m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9305E+01  0.0000E+00  1.0359E-02

  rolling -2.8855E+04  3.0927E+02 -4.2754E+04 -1.1192E+04 -3.8972E+04  1.9945E+03  2.9188E+03  2.4968E+03  0.0000E+00
 averages -2.8816E+04  0.0000E+00  2.7680E+04 -1.3310E+05  3.8969E+04  7.9996E+03  0.0000E+00  1.1381E+05  0.0000E+00
           3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00  8.4010E-03
 ------------------------------------------------------------------------------------------------------------------------
     1410 -2.8899E+04  3.0824E+02 -4.2752E+04 -1.1169E+04 -3.8997E+04  1.9676E+03  2.9346E+03  2.5121E+03  0.0000E+00
   1.410p -2.8997E+04  0.0000E+00  2.7999E+04 -1.3329E+05  3.8994E+04  8.4839E+03  0.0000E+00  1.1381E+05  0.0000E+00
   5.693m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0199E+01  5.9305E+01  0.0000E+00 -2.0878E-02

  rolling -2.8864E+04  3.0919E+02 -4.2760E+04 -1.1182E+04 -3.8987E+04  1.9936E+03  2.9222E+03  2.4931E+03  0.0000E+00
 averages -2.8876E+04  0.0000E+00  2.7826E+04 -1.3321E+05  3.8983E+04  8.1579E+03  0.0000E+00  1.1389E+05  0.0000E+00
           3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00 -2.4256E-03
 ------------------------------------------------------------------------------------------------------------------------
     1420 -2.8858E+04  3.0968E+02 -4.2775E+04 -1.1119E+04 -3.9055E+04  2.0276E+03  2.8879E+03  2.4828E+03  0.0000E+00
   1.420p -2.9436E+04  0.0000E+00  2.9571E+04 -1.3397E+05  3.9051E+04  1.0534E+04  0.0000E+00  1.1396E+05  0.0000E+00
   5.732m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0199E+01  5.9305E+01  0.0000E+00 -1.2335E-01

  rolling -2.8861E+04  3.0917E+02 -4.2756E+04 -1.1168E+04 -3.8993E+04  1.9930E+03  2.9216E+03  2.4901E+03  0.0000E+00
 averages -2.8957E+04  0.0000E+00  2.8077E+04 -1.3337E+05  3.8989E+04  8.4778E+03  0.0000E+00  1.1398E+05  0.0000E+00
           3.2165E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00 -2.0432E-02
 ------------------------------------------------------------------------------------------------------------------------
     1430 -2.8882E+04  3.1114E+02 -4.2866E+04 -1.1111E+04 -3.9118E+04  1.9742E+03  2.9097E+03  2.4794E+03  0.0000E+00
   1.430p -2.9000E+04  0.0000E+00  2.8320E+04 -1.3402E+05  3.9114E+04  8.9133E+03  0.0000E+00  1.1431E+05  0.0000E+00
   5.770m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9305E+01  0.0000E+00 -2.5114E-02

  rolling -2.8861E+04  3.0933E+02 -4.2763E+04 -1.1152E+04 -3.9008E+04  1.9927E+03  2.9177E+03  2.4871E+03  0.0000E+00
 averages -2.9011E+04  0.0000E+00  2.8253E+04 -1.3356E+05  3.9005E+04  8.7466E+03  0.0000E+00  1.1406E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00 -3.1925E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1440 -2.8960E+04  3.0602E+02 -4.2713E+04 -1.1053E+04 -3.9072E+04  2.0056E+03  2.9330E+03  2.4730E+03  0.0000E+00
   1.440p -2.8450E+04  0.0000E+00  2.5977E+04 -1.3480E+05  3.9069E+04  7.7053E+03  0.0000E+00  1.1400E+05  0.0000E+00
   5.808m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9888E+01  9.0199E+01  5.9304E+01  0.0000E+00  1.0866E-01

  rolling -2.8870E+04  3.0903E+02 -4.2758E+04 -1.1140E+04 -3.9019E+04  1.9954E+03  2.9184E+03  2.4866E+03  0.0000E+00
 averages -2.9037E+04  0.0000E+00  2.8277E+04 -1.3370E+05  3.9016E+04  8.8183E+03  0.0000E+00  1.1414E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0198E+01  5.9306E+01  0.0000E+00 -3.5582E-02
 ------------------------------------------------------------------------------------------------------------------------
     1450 -2.8817E+04  3.0812E+02 -4.2665E+04 -1.1044E+04 -3.9059E+04  2.0181E+03  2.9472E+03  2.4725E+03  0.0000E+00
   1.450p -2.9119E+04  0.0000E+00  2.8600E+04 -1.3493E+05  3.9055E+04  9.3255E+03  0.0000E+00  1.1515E+05  0.0000E+00
   5.846m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9304E+01  0.0000E+00 -6.4321E-02

  rolling -2.8860E+04  3.0916E+02 -4.2754E+04 -1.1125E+04 -3.9028E+04  1.9927E+03  2.9211E+03  2.4859E+03  0.0000E+00
 averages -2.9006E+04  0.0000E+00  2.8227E+04 -1.3388E+05  3.9025E+04  8.8429E+03  0.0000E+00  1.1424E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9305E+01  0.0000E+00 -3.1219E-02
 ------------------------------------------------------------------------------------------------------------------------
     1460 -2.8758E+04  3.1152E+02 -4.2758E+04 -1.1069E+04 -3.9066E+04  1.9640E+03  2.9226E+03  2.4908E+03  0.0000E+00
   1.460p -2.8869E+04  0.0000E+00  2.8335E+04 -1.3462E+05  3.9061E+04  9.0026E+03  0.0000E+00  1.1489E+05  0.0000E+00
   5.885m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0197E+01  5.9304E+01  0.0000E+00 -2.3784E-02

  rolling -2.8854E+04  3.0913E+02 -4.2747E+04 -1.1118E+04 -3.9039E+04  1.9965E+03  2.9252E+03  2.4882E+03  0.0000E+00
 averages -2.9031E+04  0.0000E+00  2.8318E+04 -1.3396E+05  3.9036E+04  8.9301E+03  0.0000E+00  1.1431E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9305E+01  0.0000E+00 -3.7803E-02
 ------------------------------------------------------------------------------------------------------------------------
     1470 -2.8865E+04  3.0672E+02 -4.2649E+04 -1.1120E+04 -3.9034E+04  2.0373E+03  2.9464E+03  2.5202E+03  0.0000E+00
   1.470p -2.8801E+04  0.0000E+00  2.7379E+04 -1.3397E+05  3.9031E+04  7.9711E+03  0.0000E+00  1.1435E+05  0.0000E+00
   5.923m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0197E+01  5.9304E+01  0.0000E+00  1.3523E-02

  rolling -2.8858E+04  3.0897E+02 -4.2744E+04 -1.1118E+04 -3.9040E+04  1.9952E+03  2.9273E+03  2.4923E+03  0.0000E+00
 averages -2.9052E+04  0.0000E+00  2.8354E+04 -1.3396E+05  3.9037E+04  8.9720E+03  0.0000E+00  1.1430E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9305E+01  0.0000E+00 -4.1423E-02
 ------------------------------------------------------------------------------------------------------------------------
     1480 -2.8755E+04  3.0911E+02 -4.2647E+04 -1.1119E+04 -3.8979E+04  1.9855E+03  2.9200E+03  2.5461E+03  0.0000E+00
   1.480p -2.8452E+04  0.0000E+00  2.6876E+04 -1.3402E+05  3.8975E+04  9.0625E+03  0.0000E+00  1.1285E+05  0.0000E+00
   5.961m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0195E+01  5.9304E+01  0.0000E+00  6.4513E-02

  rolling -2.8848E+04  3.0909E+02 -4.2739E+04 -1.1119E+04 -3.9043E+04  1.9947E+03  2.9300E+03  2.4978E+03  0.0000E+00
 averages -2.9014E+04  0.0000E+00  2.8279E+04 -1.3395E+05  3.9040E+04  8.9547E+03  0.0000E+00  1.1424E+05  0.0000E+00
           3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9305E+01  0.0000E+00 -3.5254E-02
 ------------------------------------------------------------------------------------------------------------------------
     1490 -2.8744E+04  3.0908E+02 -4.2635E+04 -1.1154E+04 -3.9002E+04  2.0377E+03  2.9520E+03  2.5319E+03  0.0000E+00
   1.490p -2.9055E+04  0.0000E+00  2.8714E+04 -1.3357E+05  3.8999E+04  9.6074E+03  0.0000E+00  1.1368E+05  0.0000E+00
   5.999m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0193E+01  5.9303E+01  0.0000E+00 -6.6312E-02

  rolling -2.8842E+04  3.0890E+02 -4.2724E+04 -1.1114E+04 -3.9039E+04  1.9996E+03  2.9281E+03  2.5017E+03  0.0000E+00
 averages -2.8914E+04  0.0000E+00  2.7981E+04 -1.3402E+05  3.9036E+04  8.9157E+03  0.0000E+00  1.1405E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0198E+01  5.9304E+01  0.0000E+00 -1.5350E-02
 ------------------------------------------------------------------------------------------------------------------------
     1500 -2.8757E+04  3.0948E+02 -4.2665E+04 -1.1218E+04 -3.8938E+04  1.9921E+03  2.9899E+03  2.5082E+03  0.0000E+00
   1.500p -2.8847E+04  0.0000E+00  2.8088E+04 -1.3273E+05  3.8934E+04  6.9800E+03  0.0000E+00  1.1491E+05  0.0000E+00
   6.040m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0193E+01  5.9302E+01  0.0000E+00 -1.9200E-02

  rolling -2.8830E+04  3.0901E+02 -4.2718E+04 -1.1115E+04 -3.9037E+04  1.9994E+03  2.9326E+03  2.5020E+03  0.0000E+00
 averages -2.8883E+04  0.0000E+00  2.7936E+04 -1.3402E+05  3.9033E+04  8.8144E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0197E+01  5.9304E+01  0.0000E+00 -1.1412E-02
 ------------------------------------------------------------------------------------------------------------------------
     1510 -2.8757E+04  3.1005E+02 -4.2692E+04 -1.1235E+04 -3.8946E+04  1.9940E+03  3.0087E+03  2.4869E+03  0.0000E+00
   1.510p -2.9226E+04  0.0000E+00  2.9274E+04 -1.3247E+05  3.8946E+04  7.1126E+03  0.0000E+00  1.1569E+05  0.0000E+00
   6.079m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0192E+01  5.9302E+01  0.0000E+00 -9.9892E-02

  rolling -2.8816E+04  3.0900E+02 -4.2703E+04 -1.1120E+04 -3.9029E+04  2.0027E+03  2.9427E+03  2.5004E+03  0.0000E+00
 averages -2.8890E+04  0.0000E+00  2.7997E+04 -1.3396E+05  3.9025E+04  8.6841E+03  0.0000E+00  1.1425E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0197E+01  5.9304E+01  0.0000E+00 -1.5821E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1520 -2.8806E+04  3.0555E+02 -4.2538E+04 -1.1238E+04 -3.8823E+04  2.0156E+03  3.0153E+03  2.4923E+03  0.0000E+00
   1.520p -2.9196E+04  0.0000E+00  2.8635E+04 -1.3243E+05  3.8819E+04  8.7364E+03  0.0000E+00  1.1351E+05  0.0000E+00
   6.117m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0192E+01  5.9302E+01  0.0000E+00 -8.3205E-02

  rolling -2.8811E+04  3.0888E+02 -4.2692E+04 -1.1129E+04 -3.9017E+04  2.0027E+03  2.9520E+03  2.4994E+03  0.0000E+00
 averages -2.8907E+04  0.0000E+00  2.8054E+04 -1.3384E+05  3.9014E+04  8.5291E+03  0.0000E+00  1.1435E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0196E+01  5.9303E+01  0.0000E+00 -2.0647E-02
 ------------------------------------------------------------------------------------------------------------------------
     1530 -2.8630E+04  3.1116E+02 -4.2614E+04 -1.1298E+04 -3.8779E+04  1.9992E+03  2.9475E+03  2.5161E+03  0.0000E+00
   1.530p -2.8059E+04  0.0000E+00  2.6253E+04 -1.3158E+05  3.8776E+04  6.1542E+03  0.0000E+00  1.1290E+05  0.0000E+00
   6.158m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0193E+01  5.9301E+01  0.0000E+00  1.2185E-01

  rolling -2.8785E+04  3.0878E+02 -4.2663E+04 -1.1145E+04 -3.8984E+04  2.0050E+03  2.9591E+03  2.5021E+03  0.0000E+00
 averages -2.8824E+04  0.0000E+00  2.7871E+04 -1.3364E+05  3.8981E+04  8.2993E+03  0.0000E+00  1.1423E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9887E+01  9.0195E+01  5.9303E+01  0.0000E+00 -8.2505E-03
 ------------------------------------------------------------------------------------------------------------------------
     1540 -2.8725E+04  3.1034E+02 -4.2673E+04 -1.1281E+04 -3.8876E+04  2.0415E+03  2.9090E+03  2.5331E+03  0.0000E+00
   1.540p -2.8055E+04  0.0000E+00  2.5883E+04 -1.3177E+05  3.8873E+04  4.9082E+03  0.0000E+00  1.1387E+05  0.0000E+00
   6.196m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0192E+01  5.9299E+01  0.0000E+00  1.4290E-01

  rolling -2.8762E+04  3.0907E+02 -4.2652E+04 -1.1165E+04 -3.8959E+04  2.0040E+03  2.9609E+03  2.5071E+03  0.0000E+00
 averages -2.8745E+04  0.0000E+00  2.7729E+04 -1.3337E+05  3.8956E+04  7.9997E+03  0.0000E+00  1.1415E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0195E+01  5.9303E+01  0.0000E+00  3.6449E-03
 ------------------------------------------------------------------------------------------------------------------------
     1550 -2.8772E+04  3.0767E+02 -4.2599E+04 -1.1291E+04 -3.8838E+04  1.9807E+03  2.9959E+03  2.5529E+03  0.0000E+00
   1.550p -2.9396E+04  0.0000E+00  2.9528E+04 -1.3160E+05  3.8837E+04  7.2458E+03  0.0000E+00  1.1504E+05  0.0000E+00
   6.234m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0191E+01  5.9298E+01  0.0000E+00 -1.3311E-01

  rolling -2.8757E+04  3.0898E+02 -4.2643E+04 -1.1190E+04 -3.8939E+04  2.0092E+03  2.9618E+03  2.5144E+03  0.0000E+00
 averages -2.8761E+04  0.0000E+00  2.7785E+04 -1.3305E+05  3.8936E+04  7.7711E+03  0.0000E+00  1.1412E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0194E+01  5.9302E+01  0.0000E+00 -8.9708E-04
 ------------------------------------------------------------------------------------------------------------------------
     1560 -2.8699E+04  3.0705E+02 -4.2499E+04 -1.1260E+04 -3.8806E+04  2.0235E+03  2.9832E+03  2.5610E+03  0.0000E+00
   1.560p -2.9088E+04  0.0000E+00  2.8765E+04 -1.3200E+05  3.8805E+04  7.0872E+03  0.0000E+00  1.1487E+05  0.0000E+00
   6.272m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0192E+01  5.9297E+01  0.0000E+00 -8.2886E-02

  rolling -2.8752E+04  3.0879E+02 -4.2629E+04 -1.1213E+04 -3.8913E+04  2.0072E+03  2.9673E+03  2.5221E+03  0.0000E+00
 averages -2.8797E+04  0.0000E+00  2.7891E+04 -1.3273E+05  3.8910E+04  7.5780E+03  0.0000E+00  1.1413E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0193E+01  5.9301E+01  0.0000E+00 -9.6310E-03
 ------------------------------------------------------------------------------------------------------------------------
     1570 -2.8616E+04  3.1058E+02 -4.2574E+04 -1.1267E+04 -3.8808E+04  1.9645E+03  2.9864E+03  2.5496E+03  0.0000E+00
   1.570p -2.7933E+04  0.0000E+00  2.5868E+04 -1.3195E+05  3.8807E+04  5.0762E+03  0.0000E+00  1.1394E+05  0.0000E+00
   6.313m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0192E+01  5.9296E+01  0.0000E+00  1.4555E-01

  rolling -2.8727E+04  3.0911E+02 -4.2619E+04 -1.1230E+04 -3.8890E+04  2.0053E+03  2.9694E+03  2.5268E+03  0.0000E+00
 averages -2.8751E+04  0.0000E+00  2.7858E+04 -1.3249E+05  3.8888E+04  7.3243E+03  0.0000E+00  1.1414E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9886E+01  9.0193E+01  5.9301E+01  0.0000E+00 -5.2818E-03
 ------------------------------------------------------------------------------------------------------------------------
     1580 -2.8671E+04  3.0817E+02 -4.2521E+04 -1.1236E+04 -3.8804E+04  2.0165E+03  2.9538E+03  2.5488E+03  0.0000E+00
   1.580p -2.8120E+04  0.0000E+00  2.6046E+04 -1.3243E+05  3.8803E+04  7.0100E+03  0.0000E+00  1.1266E+05  0.0000E+00
   6.349m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0191E+01  5.9296E+01  0.0000E+00  1.1754E-01

  rolling -2.8718E+04  3.0907E+02 -4.2609E+04 -1.1245E+04 -3.8869E+04  2.0076E+03  2.9696E+03  2.5280E+03  0.0000E+00
 averages -2.8718E+04  0.0000E+00  2.7781E+04 -1.3229E+05  3.8867E+04  7.0811E+03  0.0000E+00  1.1413E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0192E+01  5.9300E+01  0.0000E+00  1.5185E-06
 ------------------------------------------------------------------------------------------------------------------------
     1590 -2.8626E+04  3.0847E+02 -4.2489E+04 -1.1252E+04 -3.8790E+04  2.0413E+03  2.9655E+03  2.5456E+03  0.0000E+00
   1.590p -2.8717E+04  0.0000E+00  2.8001E+04 -1.3225E+05  3.8788E+04  8.0675E+03  0.0000E+00  1.1339E+05  0.0000E+00
   6.389m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0192E+01  5.9296E+01  0.0000E+00 -1.9523E-02

  rolling -2.8707E+04  3.0921E+02 -4.2603E+04 -1.1256E+04 -3.8851E+04  2.0035E+03  2.9721E+03  2.5284E+03  0.0000E+00
 averages -2.8684E+04  0.0000E+00  2.7725E+04 -1.3214E+05  3.8849E+04  6.8986E+03  0.0000E+00  1.1412E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0192E+01  5.9299E+01  0.0000E+00  4.8299E-03
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1600 -2.8584E+04  3.1077E+02 -4.2550E+04 -1.1287E+04 -3.8773E+04  1.9850E+03  2.9645E+03  2.5598E+03  0.0000E+00
   1.600p -2.8265E+04  0.0000E+00  2.6977E+04 -1.3181E+05  3.8771E+04  5.7803E+03  0.0000E+00  1.1424E+05  0.0000E+00
   6.425m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0192E+01  5.9296E+01  0.0000E+00  6.7924E-02

  rolling -2.8689E+04  3.0915E+02 -4.2583E+04 -1.1264E+04 -3.8831E+04  2.0091E+03  2.9710E+03  2.5319E+03  0.0000E+00
 averages -2.8639E+04  0.0000E+00  2.7638E+04 -1.3204E+05  3.8829E+04  6.7715E+03  0.0000E+00  1.1407E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9885E+01  9.0192E+01  5.9299E+01  0.0000E+00  1.0679E-02
 ------------------------------------------------------------------------------------------------------------------------
     1610 -2.8653E+04  3.0931E+02 -4.2553E+04 -1.1311E+04 -3.8792E+04  2.0155E+03  2.9568E+03  2.5776E+03  0.0000E+00
   1.610p -2.8807E+04  0.0000E+00  2.8264E+04 -1.3147E+05  3.8791E+04  6.9799E+03  0.0000E+00  1.1397E+05  0.0000E+00
   6.467m  3.2164E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9881E+01  9.0190E+01  5.9296E+01  0.0000E+00 -3.2886E-02

  rolling -2.8679E+04  3.0922E+02 -4.2576E+04 -1.1270E+04 -3.8816E+04  2.0063E+03  2.9650E+03  2.5391E+03  0.0000E+00
 averages -2.8582E+04  0.0000E+00  2.7504E+04 -1.3195E+05  3.8814E+04  6.6981E+03  0.0000E+00  1.1394E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0192E+01  5.9298E+01  0.0000E+00  2.0563E-02
 ------------------------------------------------------------------------------------------------------------------------
     1620 -2.8656E+04  3.0960E+02 -4.2570E+04 -1.1365E+04 -3.8753E+04  1.9525E+03  3.0079E+03  2.5874E+03  0.0000E+00
   1.620p -2.9799E+04  0.0000E+00  3.1257E+04 -1.3079E+05  3.8750E+04  9.2858E+03  0.0000E+00  1.1401E+05  0.0000E+00
   6.504m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9295E+01  0.0000E+00 -2.4369E-01

  rolling -2.8664E+04  3.0937E+02 -4.2567E+04 -1.1281E+04 -3.8805E+04  2.0049E+03  2.9646E+03  2.5489E+03  0.0000E+00
 averages -2.8598E+04  0.0000E+00  2.7609E+04 -1.3182E+05  3.8803E+04  6.7312E+03  0.0000E+00  1.1389E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9884E+01  9.0191E+01  5.9297E+01  0.0000E+00  1.4093E-02
 ------------------------------------------------------------------------------------------------------------------------
     1630 -2.8658E+04  3.0768E+02 -4.2486E+04 -1.1368E+04 -3.8658E+04  2.0422E+03  2.9150E+03  2.5827E+03  0.0000E+00
   1.630p -2.8708E+04  0.0000E+00  2.7805E+04 -1.3079E+05  3.8656E+04  7.5979E+03  0.0000E+00  1.1234E+05  0.0000E+00
   6.542m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9295E+01  0.0000E+00 -1.0664E-02

  rolling -2.8667E+04  3.0917E+02 -4.2561E+04 -1.1291E+04 -3.8796E+04  2.0046E+03  2.9634E+03  2.5570E+03  0.0000E+00
 averages -2.8669E+04  0.0000E+00  2.7797E+04 -1.3169E+05  3.8794E+04  6.8310E+03  0.0000E+00  1.1387E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9883E+01  9.0191E+01  5.9297E+01  0.0000E+00 -5.1076E-04
 ------------------------------------------------------------------------------------------------------------------------
     1640 -2.8591E+04  3.1099E+02 -4.2567E+04 -1.1375E+04 -3.8724E+04  2.0215E+03  2.9491E+03  2.5619E+03  0.0000E+00
   1.640p -2.9034E+04  0.0000E+00  2.9281E+04 -1.3068E+05  3.8722E+04  7.2110E+03  0.0000E+00  1.1402E+05  0.0000E+00
   6.581m  3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9878E+01  9.0188E+01  5.9294E+01  0.0000E+00 -9.4415E-02

  rolling -2.8653E+04  3.0916E+02 -4.2547E+04 -1.1298E+04 -3.8781E+04  2.0056E+03  2.9652E+03  2.5617E+03  0.0000E+00
 averages -2.8735E+04  0.0000E+00  2.8035E+04 -1.3161E+05  3.8780E+04  7.0255E+03  0.0000E+00  1.1384E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0191E+01  5.9296E+01  0.0000E+00 -1.7475E-02
 ------------------------------------------------------------------------------------------------------------------------
     1650 -2.8671E+04  3.0776E+02 -4.2503E+04 -1.1330E+04 -3.8674E+04  1.9637E+03  2.9889E+03  2.5481E+03  0.0000E+00
   1.650p -2.9667E+04  0.0000E+00  3.0650E+04 -1.3131E+05  3.8673E+04  9.5919E+03  0.0000E+00  1.1370E+05  0.0000E+00
   6.622m  3.2162E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9878E+01  9.0188E+01  5.9294E+01  0.0000E+00 -2.1228E-01

  rolling -2.8643E+04  3.0919E+02 -4.2539E+04 -1.1305E+04 -3.8765E+04  2.0030E+03  2.9664E+03  2.5625E+03  0.0000E+00
 averages -2.8807E+04  0.0000E+00  2.8284E+04 -1.3154E+05  3.8764E+04  7.2676E+03  0.0000E+00  1.1379E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9882E+01  9.0190E+01  5.9296E+01  0.0000E+00 -3.5017E-02
 ------------------------------------------------------------------------------------------------------------------------
     1660 -2.8600E+04  3.0855E+02 -4.2467E+04 -1.1305E+04 -3.8698E+04  2.0135E+03  2.9899E+03  2.5331E+03  0.0000E+00
   1.660p -2.9449E+04  0.0000E+00  3.0280E+04 -1.3164E+05  3.8698E+04  8.9455E+03  0.0000E+00  1.1428E+05  0.0000E+00
   6.660m  3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9293E+01  0.0000E+00 -1.8097E-01

  rolling -2.8633E+04  3.0926E+02 -4.2531E+04 -1.1309E+04 -3.8751E+04  2.0023E+03  2.9659E+03  2.5607E+03  0.0000E+00
 averages -2.8829E+04  0.0000E+00  2.8386E+04 -1.3151E+05  3.8750E+04  7.4711E+03  0.0000E+00  1.1368E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9881E+01  9.0190E+01  5.9295E+01  0.0000E+00 -4.1861E-02
 ------------------------------------------------------------------------------------------------------------------------
     1670 -2.8582E+04  3.1022E+02 -4.2524E+04 -1.1284E+04 -3.8765E+04  2.0003E+03  2.9872E+03  2.5364E+03  0.0000E+00
   1.670p -2.8578E+04  0.0000E+00  2.7872E+04 -1.3196E+05  3.8763E+04  7.5057E+03  0.0000E+00  1.1356E+05  0.0000E+00
   6.698m  3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0189E+01  5.9293E+01  0.0000E+00  8.6002E-04

  rolling -2.8630E+04  3.0921E+02 -4.2526E+04 -1.1311E+04 -3.8745E+04  2.0034E+03  2.9688E+03  2.5584E+03  0.0000E+00
 averages -2.8886E+04  0.0000E+00  2.8561E+04 -1.3150E+05  3.8743E+04  7.6849E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2163E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9881E+01  9.0190E+01  5.9295E+01  0.0000E+00 -5.4637E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1680 -2.8623E+04  3.0761E+02 -4.2447E+04 -1.1325E+04 -3.8645E+04  2.0070E+03  2.9491E+03  2.5662E+03  0.0000E+00
   1.680p -2.8854E+04  0.0000E+00  2.8342E+04 -1.3150E+05  3.8643E+04  8.8602E+03  0.0000E+00  1.1234E+05  0.0000E+00
   6.736m  3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9292E+01  0.0000E+00 -4.9260E-02

  rolling -2.8625E+04  3.0916E+02 -4.2519E+04 -1.1315E+04 -3.8735E+04  2.0043E+03  2.9684E+03  2.5590E+03  0.0000E+00
 averages -2.8944E+04  0.0000E+00  2.8748E+04 -1.3147E+05  3.8733E+04  7.9097E+03  0.0000E+00  1.1358E+05  0.0000E+00
           3.2162E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9295E+01  0.0000E+00 -6.8159E-02
 ------------------------------------------------------------------------------------------------------------------------
     1690 -2.8544E+04  3.0851E+02 -4.2409E+04 -1.1313E+04 -3.8704E+04  2.0607E+03  2.9784E+03  2.5696E+03  0.0000E+00
   1.690p -2.8793E+04  0.0000E+00  2.8479E+04 -1.3170E+05  3.8704E+04  8.7917E+03  0.0000E+00  1.1268E+05  0.0000E+00
   6.775m  3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0191E+01  5.9292E+01  0.0000E+00 -5.3242E-02

  rolling -2.8616E+04  3.0903E+02 -4.2505E+04 -1.1323E+04 -3.8720E+04  2.0070E+03  2.9699E+03  2.5613E+03  0.0000E+00
 averages -2.8986E+04  0.0000E+00  2.8886E+04 -1.3140E+05  3.8718E+04  8.0297E+03  0.0000E+00  1.1353E+05  0.0000E+00
           3.2162E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9294E+01  0.0000E+00 -7.8784E-02
 ------------------------------------------------------------------------------------------------------------------------
     1700 -2.8533E+04  3.1196E+02 -4.2553E+04 -1.1269E+04 -3.8801E+04  1.9918E+03  2.9701E+03  2.5545E+03  0.0000E+00
   1.700p -2.7972E+04  0.0000E+00  2.6360E+04 -1.3226E+05  3.8799E+04  7.3067E+03  0.0000E+00  1.1252E+05  0.0000E+00
   6.813m  3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9291E+01  0.0000E+00  1.1947E-01

  rolling -2.8611E+04  3.0926E+02 -4.2510E+04 -1.1326E+04 -3.8721E+04  2.0038E+03  2.9708E+03  2.5626E+03  0.0000E+00
 averages -2.8969E+04  0.0000E+00  2.8871E+04 -1.3139E+05  3.8720E+04  8.1206E+03  0.0000E+00  1.1342E+05  0.0000E+00
           3.2162E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9294E+01  0.0000E+00 -7.6330E-02
 ------------------------------------------------------------------------------------------------------------------------
     1710 -2.8637E+04  3.0842E+02 -4.2498E+04 -1.1249E+04 -3.8685E+04  2.0199E+03  2.9173E+03  2.4988E+03  0.0000E+00
   1.710p -2.8385E+04  0.0000E+00  2.6966E+04 -1.3248E+05  3.8683E+04  8.6628E+03  0.0000E+00  1.1210E+05  0.0000E+00
   6.853m  3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9291E+01  0.0000E+00  5.3731E-02

  rolling -2.8610E+04  3.0908E+02 -4.2501E+04 -1.1320E+04 -3.8716E+04  2.0095E+03  2.9680E+03  2.5579E+03  0.0000E+00
 averages -2.8947E+04  0.0000E+00  2.8794E+04 -1.3148E+05  3.8714E+04  8.3173E+03  0.0000E+00  1.1324E+05  0.0000E+00
           3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0189E+01  5.9293E+01  0.0000E+00 -7.1907E-02
 ------------------------------------------------------------------------------------------------------------------------
     1720 -2.8613E+04  3.0851E+02 -4.2478E+04 -1.1252E+04 -3.8754E+04  2.0325E+03  3.0100E+03  2.4854E+03  0.0000E+00
   1.720p -2.8643E+04  0.0000E+00  2.7819E+04 -1.3243E+05  3.8752E+04  9.3024E+03  0.0000E+00  1.1219E+05  0.0000E+00
   6.889m  3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9291E+01  0.0000E+00 -6.3431E-03

  rolling -2.8606E+04  3.0910E+02 -4.2497E+04 -1.1312E+04 -3.8709E+04  2.0108E+03  2.9640E+03  2.5483E+03  0.0000E+00
 averages -2.8855E+04  0.0000E+00  2.8530E+04 -1.3160E+05  3.8707E+04  8.3874E+03  0.0000E+00  1.1304E+05  0.0000E+00
           3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9293E+01  0.0000E+00 -5.3080E-02
 ------------------------------------------------------------------------------------------------------------------------
     1730 -2.8581E+04  3.1428E+02 -4.2705E+04 -1.1251E+04 -3.8885E+04  1.9531E+03  3.0090E+03  2.4690E+03  0.0000E+00
   1.730p -2.8290E+04  0.0000E+00  2.7376E+04 -1.3237E+05  3.8884E+04  7.2560E+03  0.0000E+00  1.1361E+05  0.0000E+00
   6.930m  3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9292E+01  0.0000E+00  6.2026E-02

  rolling -2.8598E+04  3.0955E+02 -4.2509E+04 -1.1301E+04 -3.8723E+04  2.0094E+03  2.9677E+03  2.5372E+03  0.0000E+00
 averages -2.8778E+04  0.0000E+00  2.8364E+04 -1.3176E+05  3.8722E+04  8.3452E+03  0.0000E+00  1.1306E+05  0.0000E+00
           3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9292E+01  0.0000E+00 -3.8400E-02
 ------------------------------------------------------------------------------------------------------------------------
     1740 -2.8799E+04  3.0894E+02 -4.2683E+04 -1.1253E+04 -3.8894E+04  2.0284E+03  2.9452E+03  2.4901E+03  0.0000E+00
   1.740p -2.9521E+04  0.0000E+00  2.9936E+04 -1.3233E+05  3.8890E+04  8.0420E+03  0.0000E+00  1.1534E+05  0.0000E+00
   6.966m  3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9291E+01  0.0000E+00 -1.5406E-01

  rolling -2.8619E+04  3.0939E+02 -4.2523E+04 -1.1289E+04 -3.8743E+04  2.0089E+03  2.9725E+03  2.5278E+03  0.0000E+00
 averages -2.8820E+04  0.0000E+00  2.8413E+04 -1.3192E+05  3.8742E+04  8.3947E+03  0.0000E+00  1.1320E+05  0.0000E+00
           3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9292E+01  0.0000E+00 -4.2929E-02
 ------------------------------------------------------------------------------------------------------------------------
     1750 -2.8793E+04  3.1096E+02 -4.2768E+04 -1.1264E+04 -3.8929E+04  1.9961E+03  2.9253E+03  2.5038E+03  0.0000E+00
   1.750p -3.0095E+04  0.0000E+00  3.1855E+04 -1.3219E+05  3.8926E+04  9.1385E+03  0.0000E+00  1.1598E+05  0.0000E+00
   7.006m  3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0191E+01  5.9291E+01  0.0000E+00 -2.7754E-01

  rolling -2.8631E+04  3.0962E+02 -4.2546E+04 -1.1280E+04 -3.8764E+04  2.0060E+03  2.9690E+03  2.5227E+03  0.0000E+00
 averages -2.8856E+04  0.0000E+00  2.8507E+04 -1.3204E+05  3.8762E+04  8.4147E+03  0.0000E+00  1.1337E+05  0.0000E+00
           3.2161E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9292E+01  0.0000E+00 -4.8112E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1760 -2.8857E+04  3.1090E+02 -4.2829E+04 -1.1240E+04 -3.8932E+04  1.9703E+03  2.8659E+03  2.5064E+03  0.0000E+00
   1.760p -2.9111E+04  0.0000E+00  2.8706E+04 -1.3252E+05  3.8931E+04  6.7298E+03  0.0000E+00  1.1556E+05  0.0000E+00
   7.041m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9291E+01  0.0000E+00 -5.4116E-02

  rolling -2.8656E+04  3.0970E+02 -4.2575E+04 -1.1273E+04 -3.8790E+04  2.0096E+03  2.9590E+03  2.5187E+03  0.0000E+00
 averages -2.8865E+04  0.0000E+00  2.8462E+04 -1.3214E+05  3.8788E+04  8.2671E+03  0.0000E+00  1.1355E+05  0.0000E+00
           3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9292E+01  0.0000E+00 -4.4426E-02
 ------------------------------------------------------------------------------------------------------------------------
     1770 -2.8935E+04  3.0667E+02 -4.2717E+04 -1.1208E+04 -3.9000E+04  2.0274E+03  2.9412E+03  2.5226E+03  0.0000E+00
   1.770p -2.8760E+04  0.0000E+00  2.7041E+04 -1.3290E+05  3.9000E+04  6.0759E+03  0.0000E+00  1.1487E+05  0.0000E+00
   7.083m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9290E+01  0.0000E+00  3.7240E-02

  rolling -2.8692E+04  3.0942E+02 -4.2598E+04 -1.1265E+04 -3.8812E+04  2.0084E+03  2.9533E+03  2.5176E+03  0.0000E+00
 averages -2.8845E+04  0.0000E+00  2.8272E+04 -1.3223E+05  3.8810E+04  8.0731E+03  0.0000E+00  1.1362E+05  0.0000E+00
           3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9291E+01  0.0000E+00 -3.2726E-02
 ------------------------------------------------------------------------------------------------------------------------
     1780 -2.8825E+04  3.0994E+02 -4.2754E+04 -1.1201E+04 -3.8951E+04  1.9487E+03  2.9289E+03  2.5211E+03  0.0000E+00
   1.780p -2.9131E+04  0.0000E+00  2.8775E+04 -1.3297E+05  3.8950E+04  8.1543E+03  0.0000E+00  1.1464E+05  0.0000E+00
   7.123m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0191E+01  5.9291E+01  0.0000E+00 -6.5160E-02

  rolling -2.8712E+04  3.0958E+02 -4.2625E+04 -1.1254E+04 -3.8840E+04  2.0037E+03  2.9511E+03  2.5142E+03  0.0000E+00
 averages -2.8860E+04  0.0000E+00  2.8270E+04 -1.3237E+05  3.8838E+04  7.9736E+03  0.0000E+00  1.1383E+05  0.0000E+00
           3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9291E+01  0.0000E+00 -3.1559E-02
 ------------------------------------------------------------------------------------------------------------------------
     1790 -2.8846E+04  3.0749E+02 -4.2665E+04 -1.1202E+04 -3.8902E+04  2.0045E+03  2.8988E+03  2.5353E+03  0.0000E+00
   1.790p -2.8960E+04  0.0000E+00  2.7980E+04 -1.3294E+05  3.8901E+04  7.5637E+03  0.0000E+00  1.1446E+05  0.0000E+00
   7.158m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0191E+01  5.9291E+01  0.0000E+00 -2.4277E-02

  rolling -2.8742E+04  3.0951E+02 -4.2652E+04 -1.1243E+04 -3.8867E+04  2.0014E+03  2.9466E+03  2.5102E+03  0.0000E+00
 averages -2.8902E+04  0.0000E+00  2.8300E+04 -1.3250E+05  3.8866E+04  7.8882E+03  0.0000E+00  1.1404E+05  0.0000E+00
           3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9291E+01  0.0000E+00 -3.4178E-02
 ------------------------------------------------------------------------------------------------------------------------
     1800 -2.8772E+04  3.0746E+02 -4.2590E+04 -1.1169E+04 -3.8918E+04  2.0236E+03  2.9352E+03  2.5386E+03  0.0000E+00
   1.800p -2.8038E+04  0.0000E+00  2.5432E+04 -1.3333E+05  3.8916E+04  5.9130E+03  0.0000E+00  1.1394E+05  0.0000E+00
   7.200m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9878E+01  9.0191E+01  5.9290E+01  0.0000E+00  1.5660E-01

  rolling -2.8766E+04  3.0914E+02 -4.2659E+04 -1.1231E+04 -3.8878E+04  1.9991E+03  2.9427E+03  2.5077E+03  0.0000E+00
 averages -2.8888E+04  0.0000E+00  2.8153E+04 -1.3263E+05  3.8876E+04  7.7478E+03  0.0000E+00  1.1416E+05  0.0000E+00
           3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9880E+01  9.0190E+01  5.9291E+01  0.0000E+00 -2.6034E-02
 ------------------------------------------------------------------------------------------------------------------------
     1810 -2.8695E+04  3.1162E+02 -4.2700E+04 -1.1142E+04 -3.8984E+04  2.0081E+03  2.8997E+03  2.5186E+03  0.0000E+00
   1.810p -2.8434E+04  0.0000E+00  2.7226E+04 -1.3369E+05  3.8983E+04  7.7594E+03  0.0000E+00  1.1418E+05  0.0000E+00
   7.240m  3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9877E+01  9.0191E+01  5.9290E+01  0.0000E+00  5.5684E-02

  rolling -2.8772E+04  3.0940E+02 -4.2677E+04 -1.1222E+04 -3.8902E+04  1.9984E+03  2.9408E+03  2.5082E+03  0.0000E+00
 averages -2.8890E+04  0.0000E+00  2.8165E+04 -1.3272E+05  3.8900E+04  7.6229E+03  0.0000E+00  1.1436E+05  0.0000E+00
           3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9291E+01  0.0000E+00 -2.5216E-02
 ------------------------------------------------------------------------------------------------------------------------
     1820 -2.8809E+04  3.1051E+02 -4.2764E+04 -1.1130E+04 -3.9045E+04  2.0015E+03  2.9189E+03  2.4914E+03  0.0000E+00
   1.820p -2.8730E+04  0.0000E+00  2.7674E+04 -1.3384E+05  3.9044E+04  8.6244E+03  0.0000E+00  1.1385E+05  0.0000E+00
   7.276m  3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9876E+01  9.0190E+01  5.9291E+01  0.0000E+00  1.6757E-02

  rolling -2.8791E+04  3.0937E+02 -4.2695E+04 -1.1210E+04 -3.8931E+04  1.9992E+03  2.9377E+03  2.5097E+03  0.0000E+00
 averages -2.8909E+04  0.0000E+00  2.8159E+04 -1.3286E+05  3.8930E+04  7.5634E+03  0.0000E+00  1.1453E+05  0.0000E+00
           3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9291E+01  0.0000E+00 -2.4995E-02
 ------------------------------------------------------------------------------------------------------------------------
     1830 -2.8877E+04  3.1130E+02 -4.2868E+04 -1.1192E+04 -3.9028E+04  1.9674E+03  2.9119E+03  2.4732E+03  0.0000E+00
   1.830p -2.8547E+04  0.0000E+00  2.6991E+04 -1.3295E+05  3.9026E+04  6.3126E+03  0.0000E+00  1.1460E+05  0.0000E+00
   7.316m  3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9876E+01  9.0190E+01  5.9290E+01  0.0000E+00  7.0359E-02

  rolling -2.8821E+04  3.0925E+02 -4.2719E+04 -1.1201E+04 -3.8953E+04  1.9969E+03  2.9279E+03  2.5102E+03  0.0000E+00
 averages -2.8929E+04  0.0000E+00  2.8119E+04 -1.3297E+05  3.8952E+04  7.4760E+03  0.0000E+00  1.1466E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9879E+01  9.0190E+01  5.9291E+01  0.0000E+00 -2.2898E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1840 -2.8967E+04  3.1047E+02 -4.2920E+04 -1.1213E+04 -3.9035E+04  1.9913E+03  2.8716E+03  2.4645E+03  0.0000E+00
   1.840p -2.9231E+04  0.0000E+00  2.8698E+04 -1.3269E+05  3.9031E+04  7.1842E+03  0.0000E+00  1.1517E+05  0.0000E+00
   7.354m  3.2160E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9876E+01  9.0191E+01  5.9290E+01  0.0000E+00 -5.6281E-02

  rolling -2.8838E+04  3.0936E+02 -4.2741E+04 -1.1196E+04 -3.8966E+04  1.9950E+03  2.9177E+03  2.5092E+03  0.0000E+00
 averages -2.8913E+04  0.0000E+00  2.8033E+04 -1.3301E+05  3.8965E+04  7.3774E+03  0.0000E+00  1.1470E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9878E+01  9.0190E+01  5.9291E+01  0.0000E+00 -1.6089E-02
 ------------------------------------------------------------------------------------------------------------------------
     1850 -2.9026E+04  3.0627E+02 -4.2790E+04 -1.1247E+04 -3.8908E+04  1.9798E+03  2.9124E+03  2.4726E+03  0.0000E+00
   1.850p -2.9843E+04  0.0000E+00  2.9980E+04 -1.3225E+05  3.8903E+04  8.9603E+03  0.0000E+00  1.1437E+05  0.0000E+00
   7.393m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9875E+01  9.0190E+01  5.9290E+01  0.0000E+00 -1.7425E-01

  rolling -2.8861E+04  3.0910E+02 -4.2753E+04 -1.1194E+04 -3.8973E+04  1.9950E+03  2.9129E+03  2.5058E+03  0.0000E+00
 averages -2.8900E+04  0.0000E+00  2.7899E+04 -1.3303E+05  3.8971E+04  7.3369E+03  0.0000E+00  1.1462E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9878E+01  9.0190E+01  5.9290E+01  0.0000E+00 -8.2863E-03
 ------------------------------------------------------------------------------------------------------------------------
     1860 -2.8881E+04  3.0954E+02 -4.2792E+04 -1.1214E+04 -3.8909E+04  1.9884E+03  2.8591E+03  2.4833E+03  0.0000E+00
   1.860p -2.8522E+04  0.0000E+00  2.6745E+04 -1.3276E+05  3.8903E+04  7.1542E+03  0.0000E+00  1.1345E+05  0.0000E+00
   7.431m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9875E+01  9.0190E+01  5.9290E+01  0.0000E+00  7.6576E-02

  rolling -2.8864E+04  3.0909E+02 -4.2755E+04 -1.1191E+04 -3.8969E+04  1.9917E+03  2.9106E+03  2.5033E+03  0.0000E+00
 averages -2.8837E+04  0.0000E+00  2.7702E+04 -1.3304E+05  3.8967E+04  7.3420E+03  0.0000E+00  1.1444E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9877E+01  9.0190E+01  5.9290E+01  0.0000E+00  5.6517E-03
 ------------------------------------------------------------------------------------------------------------------------
     1870 -2.8895E+04  3.0840E+02 -4.2755E+04 -1.1252E+04 -3.8942E+04  2.0061E+03  2.9222E+03  2.5097E+03  0.0000E+00
   1.870p -2.8884E+04  0.0000E+00  2.7689E+04 -1.3232E+05  3.8938E+04  6.9924E+03  0.0000E+00  1.1408E+05  0.0000E+00
   7.470m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9875E+01  9.0191E+01  5.9290E+01  0.0000E+00  2.2731E-03

  rolling -2.8860E+04  3.0919E+02 -4.2755E+04 -1.1192E+04 -3.8966E+04  1.9931E+03  2.9081E+03  2.5012E+03  0.0000E+00
 averages -2.8818E+04  0.0000E+00  2.7667E+04 -1.3303E+05  3.8963E+04  7.4175E+03  0.0000E+00  1.1432E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9877E+01  9.0191E+01  5.9290E+01  0.0000E+00  8.8396E-03
 ------------------------------------------------------------------------------------------------------------------------
     1880 -2.8862E+04  3.1020E+02 -4.2803E+04 -1.1264E+04 -3.8954E+04  1.9730E+03  2.9191E+03  2.5231E+03  0.0000E+00
   1.880p -2.9573E+04  0.0000E+00  3.0015E+04 -1.3228E+05  3.8949E+04  9.4041E+03  0.0000E+00  1.1394E+05  0.0000E+00
   7.507m  3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9874E+01  9.0191E+01  5.9290E+01  0.0000E+00 -1.5161E-01

  rolling -2.8863E+04  3.0920E+02 -4.2759E+04 -1.1199E+04 -3.8962E+04  1.9945E+03  2.9062E+03  2.5011E+03  0.0000E+00
 averages -2.8864E+04  0.0000E+00  2.7794E+04 -1.3294E+05  3.8959E+04  7.5321E+03  0.0000E+00  1.1425E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9876E+01  9.0191E+01  5.9290E+01  0.0000E+00 -1.5282E-04
 ------------------------------------------------------------------------------------------------------------------------
     1890 -2.8898E+04  3.0773E+02 -4.2728E+04 -1.1253E+04 -3.8932E+04  2.0141E+03  2.9137E+03  2.5289E+03  0.0000E+00
   1.890p -2.9427E+04  0.0000E+00  2.9246E+04 -1.3248E+05  3.8926E+04  8.8009E+03  0.0000E+00  1.1400E+05  0.0000E+00
   7.545m  3.2158E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9874E+01  9.0191E+01  5.9290E+01  0.0000E+00 -1.1276E-01

  rolling -2.8869E+04  3.0925E+02 -4.2767E+04 -1.1204E+04 -3.8964E+04  1.9937E+03  2.9064E+03  2.5008E+03  0.0000E+00
 averages -2.8894E+04  0.0000E+00  2.7873E+04 -1.3290E+05  3.8961E+04  7.6542E+03  0.0000E+00  1.1416E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9876E+01  9.0191E+01  5.9290E+01  0.0000E+00 -5.4473E-03
 ------------------------------------------------------------------------------------------------------------------------
     1900 -2.8837E+04  3.0981E+02 -4.2760E+04 -1.1261E+04 -3.8963E+04  2.0010E+03  2.9333E+03  2.5292E+03  0.0000E+00
   1.900p -2.8563E+04  0.0000E+00  2.7024E+04 -1.3246E+05  3.8958E+04  6.9121E+03  0.0000E+00  1.1361E+05  0.0000E+00
   7.587m  3.2158E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9874E+01  9.0191E+01  5.9290E+01  0.0000E+00  5.8434E-02

  rolling -2.8875E+04  3.0937E+02 -4.2778E+04 -1.1211E+04 -3.8969E+04  1.9948E+03  2.9069E+03  2.4999E+03  0.0000E+00
 averages -2.8956E+04  0.0000E+00  2.8050E+04 -1.3283E+05  3.8965E+04  7.7663E+03  0.0000E+00  1.1415E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9875E+01  9.0191E+01  5.9290E+01  0.0000E+00 -1.7255E-02
 ------------------------------------------------------------------------------------------------------------------------
     1910 -2.8865E+04  3.0901E+02 -4.2753E+04 -1.1295E+04 -3.8859E+04  1.9806E+03  2.9108E+03  2.5100E+03  0.0000E+00
   1.910p -2.9465E+04  0.0000E+00  2.9574E+04 -1.3206E+05  3.8855E+04  8.8353E+03  0.0000E+00  1.1394E+05  0.0000E+00
   7.622m  3.2158E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9873E+01  9.0191E+01  5.9291E+01  0.0000E+00 -1.2789E-01

  rolling -2.8892E+04  3.0926E+02 -4.2791E+04 -1.1224E+04 -3.8964E+04  1.9917E+03  2.9066E+03  2.4990E+03  0.0000E+00
 averages -2.9036E+04  0.0000E+00  2.8228E+04 -1.3270E+05  3.8960E+04  7.8703E+03  0.0000E+00  1.1410E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9875E+01  9.0191E+01  5.9290E+01  0.0000E+00 -3.0599E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     1920 -2.8856E+04  3.0830E+02 -4.2712E+04 -1.1291E+04 -3.8883E+04  2.0597E+03  2.9141E+03  2.4875E+03  0.0000E+00
   1.920p -3.0176E+04  0.0000E+00  3.1670E+04 -1.3211E+05  3.8878E+04  1.0004E+04  0.0000E+00  1.1490E+05  0.0000E+00
   7.662m  3.2157E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9872E+01  9.0192E+01  5.9291E+01  0.0000E+00 -2.8137E-01

  rolling -2.8897E+04  3.0916E+02 -4.2791E+04 -1.1240E+04 -3.8949E+04  1.9928E+03  2.9065E+03  2.4985E+03  0.0000E+00
 averages -2.9161E+04  0.0000E+00  2.8581E+04 -1.3252E+05  3.8945E+04  7.9903E+03  0.0000E+00  1.1417E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9874E+01  9.0191E+01  5.9290E+01  0.0000E+00 -5.6344E-02
 ------------------------------------------------------------------------------------------------------------------------
     1930 -2.8818E+04  3.0841E+02 -4.2679E+04 -1.1274E+04 -3.8830E+04  2.0204E+03  2.9447E+03  2.4603E+03  0.0000E+00
   1.930p -2.9071E+04  0.0000E+00  2.8478E+04 -1.3235E+05  3.8829E+04  7.8335E+03  0.0000E+00  1.1416E+05  0.0000E+00
   7.698m  3.2157E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9872E+01  9.0193E+01  5.9290E+01  0.0000E+00 -5.3793E-02

  rolling -2.8891E+04  3.0899E+02 -4.2777E+04 -1.1252E+04 -3.8931E+04  1.9995E+03  2.9082E+03  2.4976E+03  0.0000E+00
 averages -2.9245E+04  0.0000E+00  2.8835E+04 -1.3241E+05  3.8927E+04  8.1403E+03  0.0000E+00  1.1418E+05  0.0000E+00
           3.2159E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9874E+01  9.0191E+01  5.9290E+01  0.0000E+00 -7.5510E-02
 ------------------------------------------------------------------------------------------------------------------------
     1940 -2.8776E+04  3.0873E+02 -4.2651E+04 -1.1283E+04 -3.8807E+04  1.9868E+03  2.9950E+03  2.4568E+03  0.0000E+00
   1.940p -2.9124E+04  0.0000E+00  2.8794E+04 -1.3222E+05  3.8806E+04  8.4942E+03  0.0000E+00  1.1372E+05  0.0000E+00
   7.739m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9871E+01  9.0193E+01  5.9290E+01  0.0000E+00 -7.4238E-02

  rolling -2.8872E+04  3.0889E+02 -4.2754E+04 -1.1261E+04 -3.8908E+04  2.0014E+03  2.9166E+03  2.4964E+03  0.0000E+00
 averages -2.9271E+04  0.0000E+00  2.8961E+04 -1.3234E+05  3.8904E+04  8.2833E+03  0.0000E+00  1.1412E+05  0.0000E+00
           3.2158E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9874E+01  9.0191E+01  5.9290E+01  0.0000E+00 -8.5067E-02
 ------------------------------------------------------------------------------------------------------------------------
     1950 -2.8766E+04  3.1165E+02 -4.2772E+04 -1.1242E+04 -3.8905E+04  1.9889E+03  2.9339E+03  2.4524E+03  0.0000E+00
   1.950p -2.8999E+04  0.0000E+00  2.8712E+04 -1.3285E+05  3.8905E+04  9.9457E+03  0.0000E+00  1.1271E+05  0.0000E+00
   7.775m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0193E+01  5.9290E+01  0.0000E+00 -4.9767E-02

  rolling -2.8846E+04  3.0918E+02 -4.2741E+04 -1.1263E+04 -3.8898E+04  2.0013E+03  2.9235E+03  2.4951E+03  0.0000E+00
 averages -2.9200E+04  0.0000E+00  2.8852E+04 -1.3236E+05  3.8894E+04  8.3926E+03  0.0000E+00  1.1392E+05  0.0000E+00
           3.2158E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9873E+01  9.0191E+01  5.9290E+01  0.0000E+00 -7.5473E-02
 ------------------------------------------------------------------------------------------------------------------------
     1960 -2.8872E+04  3.0636E+02 -4.2640E+04 -1.1228E+04 -3.8841E+04  1.9848E+03  2.9824E+03  2.4618E+03  0.0000E+00
   1.960p -2.8811E+04  0.0000E+00  2.7353E+04 -1.3301E+05  3.8840E+04  8.6027E+03  0.0000E+00  1.1292E+05  0.0000E+00
   7.816m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9871E+01  9.0194E+01  5.9290E+01  0.0000E+00  1.3053E-02

  rolling -2.8845E+04  3.0910E+02 -4.2737E+04 -1.1265E+04 -3.8895E+04  2.0010E+03  2.9294E+03  2.4930E+03  0.0000E+00
 averages -2.9199E+04  0.0000E+00  2.8844E+04 -1.3239E+05  3.8892E+04  8.5095E+03  0.0000E+00  1.1383E+05  0.0000E+00
           3.2158E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9873E+01  9.0192E+01  5.9290E+01  0.0000E+00 -7.5406E-02
 ------------------------------------------------------------------------------------------------------------------------
     1970 -2.8737E+04  3.0893E+02 -4.2621E+04 -1.1228E+04 -3.8861E+04  2.0100E+03  3.0000E+03  2.4583E+03  0.0000E+00
   1.970p -2.8815E+04  0.0000E+00  2.8003E+04 -1.3303E+05  3.8857E+04  8.9079E+03  0.0000E+00  1.1326E+05  0.0000E+00
   7.855m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0195E+01  5.9290E+01  0.0000E+00 -1.6688E-02

  rolling -2.8829E+04  3.0913E+02 -4.2722E+04 -1.1265E+04 -3.8887E+04  2.0022E+03  2.9385E+03  2.4895E+03  0.0000E+00
 averages -2.9211E+04  0.0000E+00  2.8932E+04 -1.3242E+05  3.8884E+04  8.6879E+03  0.0000E+00  1.1378E+05  0.0000E+00
           3.2157E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9872E+01  9.0192E+01  5.9290E+01  0.0000E+00 -8.1444E-02
 ------------------------------------------------------------------------------------------------------------------------
     1980 -2.8729E+04  3.0946E+02 -4.2636E+04 -1.1243E+04 -3.8856E+04  2.0686E+03  2.9433E+03  2.4513E+03  0.0000E+00
   1.980p -2.9714E+04  0.0000E+00  3.0773E+04 -1.3284E+05  3.8854E+04  1.1038E+04  0.0000E+00  1.1372E+05  0.0000E+00
   7.892m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0196E+01  5.9289E+01  0.0000E+00 -2.1024E-01

  rolling -2.8816E+04  3.0910E+02 -4.2707E+04 -1.1262E+04 -3.8878E+04  2.0073E+03  2.9426E+03  2.4828E+03  0.0000E+00
 averages -2.9213E+04  0.0000E+00  2.8976E+04 -1.3249E+05  3.8874E+04  8.8724E+03  0.0000E+00  1.1372E+05  0.0000E+00
           3.2157E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9872E+01  9.0193E+01  5.9290E+01  0.0000E+00 -8.4764E-02
 ------------------------------------------------------------------------------------------------------------------------
     1990 -2.8739E+04  3.0897E+02 -4.2624E+04 -1.1188E+04 -3.8853E+04  1.9847E+03  2.9656E+03  2.4664E+03  0.0000E+00
   1.990p -2.8814E+04  0.0000E+00  2.7997E+04 -1.3355E+05  3.8850E+04  9.4525E+03  0.0000E+00  1.1324E+05  0.0000E+00
   7.930m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0196E+01  5.9289E+01  0.0000E+00 -1.6031E-02

  rolling -2.8800E+04  3.0926E+02 -4.2699E+04 -1.1259E+04 -3.8870E+04  2.0084E+03  2.9451E+03  2.4761E+03  0.0000E+00
 averages -2.9191E+04  0.0000E+00  2.8972E+04 -1.3257E+05  3.8867E+04  8.9713E+03  0.0000E+00  1.1370E+05  0.0000E+00
           3.2157E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9872E+01  9.0193E+01  5.9290E+01  0.0000E+00 -8.3468E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2000 -2.8714E+04  3.0760E+02 -4.2538E+04 -1.1187E+04 -3.8819E+04  2.0161E+03  2.9887E+03  2.4642E+03  0.0000E+00
   2.000p -2.8532E+04  0.0000E+00  2.7102E+04 -1.3350E+05  3.8819E+04  7.8067E+03  0.0000E+00  1.1397E+05  0.0000E+00
   7.969m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0196E+01  5.9288E+01  0.0000E+00  3.8778E-02

  rolling -2.8788E+04  3.0907E+02 -4.2678E+04 -1.1251E+04 -3.8858E+04  2.0114E+03  2.9500E+03  2.4696E+03  0.0000E+00
 averages -2.9157E+04  0.0000E+00  2.8889E+04 -1.3268E+05  3.8855E+04  9.0531E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9871E+01  9.0194E+01  5.9290E+01  0.0000E+00 -7.8789E-02
 ------------------------------------------------------------------------------------------------------------------------


 switching off temperature scaling at step   2000


 ------------------------------------------------------------------------------------------------------------------------
     2010 -2.8642E+04  3.1034E+02 -4.2589E+04 -1.1213E+04 -3.8854E+04  2.0592E+03  2.9495E+03  2.4691E+03  0.0000E+00
   2.010p -2.9346E+04  0.0000E+00  3.0007E+04 -1.3316E+05  3.8853E+04  1.0214E+04  0.0000E+00  1.1410E+05  0.0000E+00
   8.018m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9869E+01  9.0197E+01  5.9288E+01  0.0000E+00 -1.5011E-01

  rolling -2.8765E+04  3.0911E+02 -4.2657E+04 -1.1243E+04 -3.8849E+04  2.0132E+03  2.9574E+03  2.4645E+03  0.0000E+00
 averages -2.9142E+04  0.0000E+00  2.8916E+04 -1.3279E+05  3.8847E+04  9.1656E+03  0.0000E+00  1.1370E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9871E+01  9.0194E+01  5.9290E+01  0.0000E+00 -8.0456E-02
 ------------------------------------------------------------------------------------------------------------------------
     2020 -2.8644E+04  3.1476E+02 -4.2790E+04 -1.1224E+04 -3.8942E+04  1.9701E+03  2.9389E+03  2.4664E+03  0.0000E+00
   2.020p -2.9316E+04  0.0000E+00  3.0306E+04 -1.3306E+05  3.8942E+04  1.0254E+04  0.0000E+00  1.1417E+05  0.0000E+00
   8.054m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0199E+01  5.9288E+01  0.0000E+00 -1.4319E-01

  rolling -2.8744E+04  3.0948E+02 -4.2652E+04 -1.1234E+04 -3.8855E+04  2.0132E+03  2.9620E+03  2.4614E+03  0.0000E+00
 averages -2.9079E+04  0.0000E+00  2.8823E+04 -1.3291E+05  3.8853E+04  9.2537E+03  0.0000E+00  1.1363E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9871E+01  9.0195E+01  5.9289E+01  0.0000E+00 -7.1478E-02
 ------------------------------------------------------------------------------------------------------------------------
     2030 -2.8647E+04  3.1106E+02 -4.2626E+04 -1.1228E+04 -3.8841E+04  2.0254E+03  2.9398E+03  2.4775E+03  0.0000E+00
   2.030p -2.8080E+04  0.0000E+00  2.6259E+04 -1.3305E+05  3.8841E+04  7.3653E+03  0.0000E+00  1.1310E+05  0.0000E+00
   8.094m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9869E+01  9.0199E+01  5.9287E+01  0.0000E+00  1.2088E-01

  rolling -2.8726E+04  3.0982E+02 -4.2650E+04 -1.1229E+04 -3.8857E+04  2.0103E+03  2.9644E+03  2.4615E+03  0.0000E+00
 averages -2.9000E+04  0.0000E+00  2.8668E+04 -1.3298E+05  3.8856E+04  9.2354E+03  0.0000E+00  1.1356E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0196E+01  5.9289E+01  0.0000E+00 -5.8262E-02
 ------------------------------------------------------------------------------------------------------------------------
     2040 -2.8648E+04  3.1129E+02 -4.2638E+04 -1.1156E+04 -3.8902E+04  1.9867E+03  2.9498E+03  2.4828E+03  0.0000E+00
   2.040p -2.8002E+04  0.0000E+00  2.6041E+04 -1.3398E+05  3.8904E+04  8.2857E+03  0.0000E+00  1.1283E+05  0.0000E+00
   8.130m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9868E+01  9.0199E+01  5.9287E+01  0.0000E+00  1.3784E-01

  rolling -2.8713E+04  3.1009E+02 -4.2649E+04 -1.1219E+04 -3.8863E+04  2.0075E+03  2.9611E+03  2.4638E+03  0.0000E+00
 averages -2.8867E+04  0.0000E+00  2.8331E+04 -1.3313E+05  3.8861E+04  9.1851E+03  0.0000E+00  1.1342E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0196E+01  5.9289E+01  0.0000E+00 -3.2657E-02
 ------------------------------------------------------------------------------------------------------------------------
     2050 -2.8648E+04  3.1031E+02 -4.2594E+04 -1.1123E+04 -3.8913E+04  1.9982E+03  2.9420E+03  2.5017E+03  0.0000E+00
   2.050p -2.8715E+04  0.0000E+00  2.8092E+04 -1.3437E+05  3.8912E+04  1.0604E+04  0.0000E+00  1.1294E+05  0.0000E+00
   8.171m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9868E+01  9.0200E+01  5.9286E+01  0.0000E+00 -1.4208E-02

  rolling -2.8702E+04  3.1003E+02 -4.2635E+04 -1.1206E+04 -3.8868E+04  2.0103E+03  2.9615E+03  2.4675E+03  0.0000E+00
 averages -2.8819E+04  0.0000E+00  2.8219E+04 -1.3329E+05  3.8866E+04  9.2183E+03  0.0000E+00  1.1343E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0197E+01  5.9288E+01  0.0000E+00 -2.5034E-02
 ------------------------------------------------------------------------------------------------------------------------
     2060 -2.8649E+04  3.1222E+02 -4.2681E+04 -1.1118E+04 -3.9010E+04  2.0031E+03  2.9289E+03  2.5157E+03  0.0000E+00
   2.060p -2.8525E+04  0.0000E+00  2.7689E+04 -1.3444E+05  3.9012E+04  9.5465E+03  0.0000E+00  1.1357E+05  0.0000E+00
   8.207m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9868E+01  9.0200E+01  5.9286E+01  0.0000E+00  2.6565E-02

  rolling -2.8679E+04  3.1031E+02 -4.2625E+04 -1.1193E+04 -3.8876E+04  2.0122E+03  2.9593E+03  2.4730E+03  0.0000E+00
 averages -2.8771E+04  0.0000E+00  2.8168E+04 -1.3346E+05  3.8875E+04  9.3099E+03  0.0000E+00  1.1345E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9870E+01  9.0197E+01  5.9288E+01  0.0000E+00 -1.9622E-02
 ------------------------------------------------------------------------------------------------------------------------
     2070 -2.8650E+04  3.1174E+02 -4.2660E+04 -1.1188E+04 -3.9013E+04  2.0316E+03  2.9859E+03  2.5231E+03  0.0000E+00
   2.070p -2.9025E+04  0.0000E+00  2.9144E+04 -1.3349E+05  3.9012E+04  9.0091E+03  0.0000E+00  1.1462E+05  0.0000E+00
   8.247m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9867E+01  9.0200E+01  5.9285E+01  0.0000E+00 -7.9869E-02

  rolling -2.8670E+04  3.1063E+02 -4.2631E+04 -1.1187E+04 -3.8894E+04  2.0125E+03  2.9584E+03  2.4787E+03  0.0000E+00
 averages -2.8779E+04  0.0000E+00  2.8247E+04 -1.3355E+05  3.8893E+04  9.3595E+03  0.0000E+00  1.1354E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9869E+01  9.0198E+01  5.9288E+01  0.0000E+00 -2.3173E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2080 -2.8652E+04  3.1185E+02 -4.2667E+04 -1.1162E+04 -3.8959E+04  2.0049E+03  2.9166E+03  2.5322E+03  0.0000E+00
   2.080p -2.9313E+04  0.0000E+00  3.0012E+04 -1.3385E+05  3.8956E+04  1.0436E+04  0.0000E+00  1.1447E+05  0.0000E+00
   8.286m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9867E+01  9.0201E+01  5.9285E+01  0.0000E+00 -1.4088E-01

  rolling -2.8663E+04  3.1082E+02 -4.2631E+04 -1.1180E+04 -3.8906E+04  2.0105E+03  2.9579E+03  2.4864E+03  0.0000E+00
 averages -2.8759E+04  0.0000E+00  2.8226E+04 -1.3363E+05  3.8905E+04  9.3217E+03  0.0000E+00  1.1363E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9869E+01  9.0199E+01  5.9287E+01  0.0000E+00 -2.0518E-02
 ------------------------------------------------------------------------------------------------------------------------
     2090 -2.8653E+04  3.1148E+02 -4.2652E+04 -1.1198E+04 -3.8974E+04  2.0239E+03  2.9710E+03  2.5250E+03  0.0000E+00
   2.090p -2.9660E+04  0.0000E+00  3.1018E+04 -1.3336E+05  3.8970E+04  9.9959E+03  0.0000E+00  1.1541E+05  0.0000E+00
   8.324m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9866E+01  9.0200E+01  5.9285E+01  0.0000E+00 -2.1474E-01

  rolling -2.8654E+04  3.1101E+02 -4.2632E+04 -1.1177E+04 -3.8917E+04  2.0118E+03  2.9566E+03  2.4934E+03  0.0000E+00
 averages -2.8785E+04  0.0000E+00  2.8347E+04 -1.3367E+05  3.8916E+04  9.3201E+03  0.0000E+00  1.1378E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9869E+01  9.0199E+01  5.9287E+01  0.0000E+00 -2.7870E-02
 ------------------------------------------------------------------------------------------------------------------------
     2100 -2.8655E+04  3.1139E+02 -4.2650E+04 -1.1151E+04 -3.8965E+04  2.0169E+03  2.9414E+03  2.5078E+03  0.0000E+00
   2.100p -2.8970E+04  0.0000E+00  2.8933E+04 -1.3401E+05  3.8960E+04  8.9818E+03  0.0000E+00  1.1500E+05  0.0000E+00
   8.362m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9865E+01  9.0200E+01  5.9284E+01  0.0000E+00 -6.7111E-02

  rolling -2.8648E+04  3.1145E+02 -4.2645E+04 -1.1176E+04 -3.8931E+04  2.0099E+03  2.9539E+03  2.4982E+03  0.0000E+00
 averages -2.8856E+04  0.0000E+00  2.8617E+04 -1.3367E+05  3.8930E+04  9.4117E+03  0.0000E+00  1.1395E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9868E+01  9.0199E+01  5.9286E+01  0.0000E+00 -4.4250E-02
 ------------------------------------------------------------------------------------------------------------------------
     2110 -2.8656E+04  3.1047E+02 -4.2609E+04 -1.1169E+04 -3.8949E+04  1.9866E+03  3.0132E+03  2.5085E+03  0.0000E+00
   2.110p -2.9591E+04  0.0000E+00  3.0709E+04 -1.3375E+05  3.8944E+04  1.0360E+04  0.0000E+00  1.1516E+05  0.0000E+00
   8.399m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9866E+01  9.0201E+01  5.9283E+01  0.0000E+00 -1.9927E-01

  rolling -2.8650E+04  3.1157E+02 -4.2652E+04 -1.1172E+04 -3.8944E+04  2.0092E+03  2.9525E+03  2.5023E+03  0.0000E+00
 averages -2.8908E+04  0.0000E+00  2.8781E+04 -1.3372E+05  3.8942E+04  9.4920E+03  0.0000E+00  1.1407E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9868E+01  9.0200E+01  5.9286E+01  0.0000E+00 -5.5186E-02
 ------------------------------------------------------------------------------------------------------------------------
     2120 -2.8657E+04  3.0963E+02 -4.2572E+04 -1.1153E+04 -3.8882E+04  2.0376E+03  2.9150E+03  2.5106E+03  0.0000E+00
   2.120p -2.8932E+04  0.0000E+00  2.8656E+04 -1.3403E+05  3.8877E+04  9.9508E+03  0.0000E+00  1.1385E+05  0.0000E+00
   8.439m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9865E+01  9.0201E+01  5.9283E+01  0.0000E+00 -5.8712E-02

  rolling -2.8651E+04  3.1134E+02 -4.2643E+04 -1.1168E+04 -3.8943E+04  2.0080E+03  2.9535E+03  2.5062E+03  0.0000E+00
 averages -2.8898E+04  0.0000E+00  2.8726E+04 -1.3379E+05  3.8941E+04  9.4638E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9867E+01  9.0200E+01  5.9285E+01  0.0000E+00 -5.2680E-02
 ------------------------------------------------------------------------------------------------------------------------
     2130 -2.8657E+04  3.1125E+02 -4.2645E+04 -1.1205E+04 -3.8928E+04  2.0080E+03  2.9338E+03  2.5467E+03  0.0000E+00
   2.130p -2.8457E+04  0.0000E+00  2.7375E+04 -1.3334E+05  3.8924E+04  7.6894E+03  0.0000E+00  1.1410E+05  0.0000E+00
   8.476m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9865E+01  9.0201E+01  5.9282E+01  0.0000E+00  4.2724E-02

  rolling -2.8652E+04  3.1113E+02 -4.2635E+04 -1.1163E+04 -3.8945E+04  2.0101E+03  2.9508E+03  2.5122E+03  0.0000E+00
 averages -2.8895E+04  0.0000E+00  2.8693E+04 -1.3385E+05  3.8943E+04  9.4631E+03  0.0000E+00  1.1414E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9867E+01  9.0200E+01  5.9285E+01  0.0000E+00 -5.1708E-02
 ------------------------------------------------------------------------------------------------------------------------
     2140 -2.8658E+04  3.0835E+02 -4.2515E+04 -1.1188E+04 -3.8857E+04  2.0164E+03  2.9701E+03  2.5438E+03  0.0000E+00
   2.140p -2.8220E+04  0.0000E+00  2.6403E+04 -1.3354E+05  3.8855E+04  8.8042E+03  0.0000E+00  1.1228E+05  0.0000E+00
   8.514m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9866E+01  9.0203E+01  5.9281E+01  0.0000E+00  9.3292E-02

  rolling -2.8653E+04  3.1104E+02 -4.2632E+04 -1.1165E+04 -3.8948E+04  2.0116E+03  2.9512E+03  2.5190E+03  0.0000E+00
 averages -2.8944E+04  0.0000E+00  2.8831E+04 -1.3382E+05  3.8946E+04  9.5206E+03  0.0000E+00  1.1419E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9866E+01  9.0201E+01  5.9284E+01  0.0000E+00 -6.2115E-02
 ------------------------------------------------------------------------------------------------------------------------
     2150 -2.8655E+04  3.0916E+02 -4.2550E+04 -1.1203E+04 -3.8835E+04  2.0159E+03  2.9370E+03  2.5351E+03  0.0000E+00
   2.150p -2.9118E+04  0.0000E+00  2.9177E+04 -1.3325E+05  3.8833E+04  1.0058E+04  0.0000E+00  1.1354E+05  0.0000E+00
   8.552m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9866E+01  9.0204E+01  5.9280E+01  0.0000E+00 -9.8736E-02

  rolling -2.8654E+04  3.1083E+02 -4.2623E+04 -1.1170E+04 -3.8941E+04  2.0144E+03  2.9499E+03  2.5238E+03  0.0000E+00
 averages -2.8959E+04  0.0000E+00  2.8853E+04 -1.3375E+05  3.8938E+04  9.5178E+03  0.0000E+00  1.1415E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9866E+01  9.0201E+01  5.9284E+01  0.0000E+00 -6.5042E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2160 -2.8656E+04  3.0966E+02 -4.2572E+04 -1.1226E+04 -3.8880E+04  2.0654E+03  2.9602E+03  2.5079E+03  0.0000E+00
   2.160p -2.8981E+04  0.0000E+00  2.8809E+04 -1.3293E+05  3.8877E+04  8.6619E+03  0.0000E+00  1.1420E+05  0.0000E+00
   8.593m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9865E+01  9.0203E+01  5.9279E+01  0.0000E+00 -6.9349E-02

  rolling -2.8655E+04  3.1065E+02 -4.2616E+04 -1.1181E+04 -3.8930E+04  2.0169E+03  2.9535E+03  2.5247E+03  0.0000E+00
 averages -2.9016E+04  0.0000E+00  2.9005E+04 -1.3361E+05  3.8927E+04  9.4312E+03  0.0000E+00  1.1425E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9866E+01  9.0201E+01  5.9283E+01  0.0000E+00 -7.6945E-02
 ------------------------------------------------------------------------------------------------------------------------
     2170 -2.8658E+04  3.1241E+02 -4.2698E+04 -1.1258E+04 -3.8883E+04  1.9856E+03  2.9554E+03  2.5019E+03  0.0000E+00
   2.170p -2.8860E+04  0.0000E+00  2.8688E+04 -1.3242E+05  3.8879E+04  8.1958E+03  0.0000E+00  1.1404E+05  0.0000E+00
   8.629m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9864E+01  9.0202E+01  5.9278E+01  0.0000E+00 -4.3184E-02

  rolling -2.8656E+04  3.1065E+02 -4.2617E+04 -1.1189E+04 -3.8918E+04  2.0185E+03  2.9487E+03  2.5231E+03  0.0000E+00
 averages -2.9022E+04  0.0000E+00  2.9021E+04 -1.3348E+05  3.8914E+04  9.3476E+03  0.0000E+00  1.1424E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9866E+01  9.0202E+01  5.9282E+01  0.0000E+00 -7.8130E-02
 ------------------------------------------------------------------------------------------------------------------------
     2180 -2.8658E+04  3.0975E+02 -4.2579E+04 -1.1234E+04 -3.8838E+04  2.0503E+03  2.9567E+03  2.4859E+03  0.0000E+00
   2.180p -2.9179E+04  0.0000E+00  2.9405E+04 -1.3274E+05  3.8834E+04  9.8740E+03  0.0000E+00  1.1344E+05  0.0000E+00
   8.669m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9863E+01  9.0201E+01  5.9278E+01  0.0000E+00 -1.1110E-01

  rolling -2.8656E+04  3.1052E+02 -4.2612E+04 -1.1197E+04 -3.8904E+04  2.0198E+03  2.9499E+03  2.5195E+03  0.0000E+00
 averages -2.9022E+04  0.0000E+00  2.9008E+04 -1.3336E+05  3.8900E+04  9.2862E+03  0.0000E+00  1.1418E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9865E+01  9.0202E+01  5.9282E+01  0.0000E+00 -7.8047E-02
 ------------------------------------------------------------------------------------------------------------------------
     2190 -2.8660E+04  3.1233E+02 -4.2696E+04 -1.1208E+04 -3.8951E+04  2.0057E+03  2.9537E+03  2.5033E+03  0.0000E+00
   2.190p -2.9083E+04  0.0000E+00  2.9343E+04 -1.3304E+05  3.8948E+04  9.7528E+03  0.0000E+00  1.1368E+05  0.0000E+00
   8.705m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9862E+01  9.0200E+01  5.9278E+01  0.0000E+00 -9.0246E-02

  rolling -2.8657E+04  3.1056E+02 -4.2614E+04 -1.1200E+04 -3.8898E+04  2.0169E+03  2.9508E+03  2.5156E+03  0.0000E+00
 averages -2.8960E+04  0.0000E+00  2.8823E+04 -1.3331E+05  3.8894E+04  9.2289E+03  0.0000E+00  1.1401E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9865E+01  9.0202E+01  5.9281E+01  0.0000E+00 -6.4553E-02
 ------------------------------------------------------------------------------------------------------------------------
     2200 -2.8662E+04  3.1086E+02 -4.2633E+04 -1.1181E+04 -3.8968E+04  2.0112E+03  2.9699E+03  2.5360E+03  0.0000E+00
   2.200p -2.9318E+04  0.0000E+00  2.9911E+04 -1.3334E+05  3.8967E+04  9.6077E+03  0.0000E+00  1.1467E+05  0.0000E+00
   8.746m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9861E+01  9.0199E+01  5.9278E+01  0.0000E+00 -1.4002E-01

  rolling -2.8658E+04  3.1043E+02 -4.2609E+04 -1.1202E+04 -3.8897E+04  2.0210E+03  2.9527E+03  2.5165E+03  0.0000E+00
 averages -2.8968E+04  0.0000E+00  2.8835E+04 -1.3325E+05  3.8893E+04  9.2707E+03  0.0000E+00  1.1392E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9865E+01  9.0202E+01  5.9280E+01  0.0000E+00 -6.6289E-02
 ------------------------------------------------------------------------------------------------------------------------
     2210 -2.8662E+04  3.0932E+02 -4.2564E+04 -1.1159E+04 -3.8982E+04  2.0491E+03  2.9753E+03  2.5525E+03  0.0000E+00
   2.210p -2.9604E+04  0.0000E+00  3.0628E+04 -1.3363E+05  3.8980E+04  1.0327E+04  0.0000E+00  1.1495E+05  0.0000E+00
   8.782m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0198E+01  5.9277E+01  0.0000E+00 -2.0085E-01

  rolling -2.8658E+04  3.1038E+02 -4.2607E+04 -1.1202E+04 -3.8898E+04  2.0200E+03  2.9526E+03  2.5203E+03  0.0000E+00
 averages -2.8977E+04  0.0000E+00  2.8855E+04 -1.3323E+05  3.8895E+04  9.3036E+03  0.0000E+00  1.1389E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9864E+01  9.0201E+01  5.9280E+01  0.0000E+00 -6.7970E-02
 ------------------------------------------------------------------------------------------------------------------------
     2220 -2.8663E+04  3.1193E+02 -4.2682E+04 -1.1173E+04 -3.9036E+04  2.0028E+03  2.9836E+03  2.5410E+03  0.0000E+00
   2.220p -2.8956E+04  0.0000E+00  2.8914E+04 -1.3342E+05  3.9030E+04  8.5606E+03  0.0000E+00  1.1475E+05  0.0000E+00
   8.822m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0197E+01  5.9277E+01  0.0000E+00 -6.2357E-02

  rolling -2.8659E+04  3.1039E+02 -4.2608E+04 -1.1203E+04 -3.8909E+04  2.0230E+03  2.9558E+03  2.5245E+03  0.0000E+00
 averages -2.8980E+04  0.0000E+00  2.8862E+04 -1.3319E+05  3.8906E+04  9.2176E+03  0.0000E+00  1.1393E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9864E+01  9.0201E+01  5.9279E+01  0.0000E+00 -6.8481E-02
 ------------------------------------------------------------------------------------------------------------------------
     2230 -2.8664E+04  3.1303E+02 -4.2732E+04 -1.1183E+04 -3.9035E+04  2.0198E+03  2.9377E+03  2.5279E+03  0.0000E+00
   2.230p -2.8202E+04  0.0000E+00  2.6749E+04 -1.3327E+05  3.9027E+04  7.4068E+03  0.0000E+00  1.1358E+05  0.0000E+00
   8.858m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0198E+01  5.9277E+01  0.0000E+00  9.8622E-02

  rolling -2.8659E+04  3.1059E+02 -4.2618E+04 -1.1202E+04 -3.8922E+04  2.0218E+03  2.9600E+03  2.5247E+03  0.0000E+00
 averages -2.8965E+04  0.0000E+00  2.8833E+04 -1.3317E+05  3.8919E+04  9.1234E+03  0.0000E+00  1.1396E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9863E+01  9.0201E+01  5.9278E+01  0.0000E+00 -6.5165E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2240 -2.8668E+04  3.1327E+02 -4.2746E+04 -1.1229E+04 -3.8960E+04  2.0308E+03  2.9124E+03  2.4998E+03  0.0000E+00
   2.240p -2.8817E+04  0.0000E+00  2.8606E+04 -1.3264E+05  3.8954E+04  9.2648E+03  0.0000E+00  1.1303E+05  0.0000E+00
   8.899m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9858E+01  9.0198E+01  5.9277E+01  0.0000E+00 -3.1853E-02

  rolling -2.8660E+04  3.1088E+02 -4.2632E+04 -1.1203E+04 -3.8932E+04  2.0231E+03  2.9586E+03  2.5211E+03  0.0000E+00
 averages -2.8980E+04  0.0000E+00  2.8901E+04 -1.3312E+05  3.8928E+04  9.1559E+03  0.0000E+00  1.1394E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9862E+01  9.0200E+01  5.9278E+01  0.0000E+00 -6.8145E-02
 ------------------------------------------------------------------------------------------------------------------------
     2250 -2.8671E+04  3.1374E+02 -4.2771E+04 -1.1236E+04 -3.8964E+04  2.0009E+03  2.9245E+03  2.5032E+03  0.0000E+00
   2.250p -2.8970E+04  0.0000E+00  2.9098E+04 -1.3256E+05  3.8961E+04  9.0272E+03  0.0000E+00  1.1367E+05  0.0000E+00
   8.937m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9858E+01  9.0198E+01  5.9277E+01  0.0000E+00 -6.3815E-02

  rolling -2.8662E+04  3.1138E+02 -4.2656E+04 -1.1206E+04 -3.8945E+04  2.0226E+03  2.9556E+03  2.5172E+03  0.0000E+00
 averages -2.9006E+04  0.0000E+00  2.9022E+04 -1.3304E+05  3.8941E+04  9.1277E+03  0.0000E+00  1.1400E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9861E+01  9.0200E+01  5.9278E+01  0.0000E+00 -7.3512E-02
 ------------------------------------------------------------------------------------------------------------------------
     2260 -2.8673E+04  3.1182E+02 -4.2687E+04 -1.1291E+04 -3.8856E+04  2.0083E+03  2.9649E+03  2.4873E+03  0.0000E+00
   2.260p -2.8574E+04  0.0000E+00  2.7730E+04 -1.3182E+05  3.8852E+04  6.6294E+03  0.0000E+00  1.1407E+05  0.0000E+00
   8.975m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9858E+01  9.0199E+01  5.9277E+01  0.0000E+00  2.1171E-02

  rolling -2.8663E+04  3.1172E+02 -4.2672E+04 -1.1211E+04 -3.8950E+04  2.0196E+03  2.9548E+03  2.5148E+03  0.0000E+00
 averages -2.8975E+04  0.0000E+00  2.8953E+04 -1.3295E+05  3.8946E+04  8.9549E+03  0.0000E+00  1.1400E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9861E+01  9.0199E+01  5.9277E+01  0.0000E+00 -6.6412E-02
 ------------------------------------------------------------------------------------------------------------------------
     2270 -2.8675E+04  3.1130E+02 -4.2665E+04 -1.1282E+04 -3.8822E+04  2.0321E+03  2.9042E+03  2.5033E+03  0.0000E+00
   2.270p -2.8818E+04  0.0000E+00  2.8409E+04 -1.3195E+05  3.8818E+04  7.7565E+03  0.0000E+00  1.1379E+05  0.0000E+00
   9.015m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0200E+01  5.9277E+01  0.0000E+00 -3.0456E-02

  rolling -2.8665E+04  3.1169E+02 -4.2673E+04 -1.1216E+04 -3.8943E+04  2.0189E+03  2.9535E+03  2.5138E+03  0.0000E+00
 averages -2.8946E+04  0.0000E+00  2.8860E+04 -1.3287E+05  3.8939E+04  8.8264E+03  0.0000E+00  1.1396E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0199E+01  5.9277E+01  0.0000E+00 -5.9967E-02
 ------------------------------------------------------------------------------------------------------------------------
     2280 -2.8678E+04  3.1139E+02 -4.2672E+04 -1.1286E+04 -3.8826E+04  1.9761E+03  2.9586E+03  2.5044E+03  0.0000E+00
   2.280p -2.9576E+04  0.0000E+00  3.0684E+04 -1.3196E+05  3.8820E+04  9.3544E+03  0.0000E+00  1.1447E+05  0.0000E+00
   9.050m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0200E+01  5.9277E+01  0.0000E+00 -1.9165E-01

  rolling -2.8667E+04  3.1177E+02 -4.2678E+04 -1.1218E+04 -3.8942E+04  2.0164E+03  2.9509E+03  2.5151E+03  0.0000E+00
 averages -2.8962E+04  0.0000E+00  2.8910E+04 -1.3282E+05  3.8938E+04  8.8025E+03  0.0000E+00  1.1399E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0199E+01  5.9277E+01  0.0000E+00 -6.3004E-02
 ------------------------------------------------------------------------------------------------------------------------
     2290 -2.8676E+04  3.0762E+02 -4.2501E+04 -1.1294E+04 -3.8750E+04  2.0352E+03  2.9888E+03  2.5196E+03  0.0000E+00
   2.290p -2.8924E+04  0.0000E+00  2.8396E+04 -1.3186E+05  3.8745E+04  7.3797E+03  0.0000E+00  1.1413E+05  0.0000E+00
   9.091m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0200E+01  5.9276E+01  0.0000E+00 -5.2998E-02

  rolling -2.8668E+04  3.1156E+02 -4.2671E+04 -1.1227E+04 -3.8930E+04  2.0171E+03  2.9529E+03  2.5170E+03  0.0000E+00
 averages -2.8995E+04  0.0000E+00  2.8983E+04 -1.3270E+05  3.8926E+04  8.6591E+03  0.0000E+00  1.1410E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0199E+01  5.9277E+01  0.0000E+00 -6.9592E-02
 ------------------------------------------------------------------------------------------------------------------------
     2300 -2.8675E+04  3.0866E+02 -4.2547E+04 -1.1298E+04 -3.8733E+04  1.9961E+03  2.9678E+03  2.5204E+03  0.0000E+00
   2.300p -2.8634E+04  0.0000E+00  2.7621E+04 -1.3183E+05  3.8729E+04  6.3290E+03  0.0000E+00  1.1439E+05  0.0000E+00
   9.130m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0199E+01  5.9276E+01  0.0000E+00  8.7525E-03

  rolling -2.8670E+04  3.1126E+02 -4.2658E+04 -1.1236E+04 -3.8907E+04  2.0142E+03  2.9535E+03  2.5171E+03  0.0000E+00
 averages -2.8925E+04  0.0000E+00  2.8742E+04 -1.3259E+05  3.8902E+04  8.3436E+03  0.0000E+00  1.1408E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0199E+01  5.9277E+01  0.0000E+00 -5.4349E-02
 ------------------------------------------------------------------------------------------------------------------------
     2310 -2.8674E+04  3.0926E+02 -4.2573E+04 -1.1340E+04 -3.8746E+04  2.0288E+03  2.9698E+03  2.5140E+03  0.0000E+00
   2.310p -2.9292E+04  0.0000E+00  2.9654E+04 -1.3135E+05  3.8742E+04  7.9975E+03  0.0000E+00  1.1426E+05  0.0000E+00
   9.168m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0199E+01  5.9275E+01  0.0000E+00 -1.3193E-01

  rolling -2.8671E+04  3.1110E+02 -4.2653E+04 -1.1252E+04 -3.8884E+04  2.0150E+03  2.9547E+03  2.5139E+03  0.0000E+00
 averages -2.8887E+04  0.0000E+00  2.8612E+04 -1.3238E+05  3.8879E+04  8.0687E+03  0.0000E+00  1.1404E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0199E+01  5.9277E+01  0.0000E+00 -4.6117E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2320 -2.8675E+04  3.1115E+02 -4.2659E+04 -1.1359E+04 -3.8762E+04  2.0195E+03  2.9504E+03  2.4930E+03  0.0000E+00
   2.320p -2.8755E+04  0.0000E+00  2.8209E+04 -1.3111E+05  3.8758E+04  7.1509E+03  0.0000E+00  1.1341E+05  0.0000E+00
   9.206m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0199E+01  5.9275E+01  0.0000E+00 -1.7146E-02

  rolling -2.8672E+04  3.1117E+02 -4.2657E+04 -1.1271E+04 -3.8858E+04  2.0133E+03  2.9494E+03  2.5097E+03  0.0000E+00
 averages -2.8857E+04  0.0000E+00  2.8523E+04 -1.3214E+05  3.8853E+04  7.8865E+03  0.0000E+00  1.1393E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0199E+01  5.9277E+01  0.0000E+00 -3.9358E-02
 ------------------------------------------------------------------------------------------------------------------------
     2330 -2.8675E+04  3.1119E+02 -4.2661E+04 -1.1306E+04 -3.8801E+04  2.0140E+03  2.9716E+03  2.4604E+03  0.0000E+00
   2.330p -2.8296E+04  0.0000E+00  2.6834E+04 -1.3179E+05  3.8796E+04  6.2613E+03  0.0000E+00  1.1357E+05  0.0000E+00
   9.245m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0200E+01  5.9275E+01  0.0000E+00  8.0814E-02

  rolling -2.8673E+04  3.1098E+02 -4.2650E+04 -1.1287E+04 -3.8832E+04  2.0151E+03  2.9502E+03  2.5036E+03  0.0000E+00
 averages -2.8856E+04  0.0000E+00  2.8502E+04 -1.3195E+05  3.8827E+04  7.7676E+03  0.0000E+00  1.1386E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0199E+01  5.9276E+01  0.0000E+00 -3.9051E-02
 ------------------------------------------------------------------------------------------------------------------------
     2340 -2.8677E+04  3.1096E+02 -4.2652E+04 -1.1250E+04 -3.8874E+04  2.0523E+03  2.9688E+03  2.4510E+03  0.0000E+00
   2.340p -2.8550E+04  0.0000E+00  2.7571E+04 -1.3250E+05  3.8868E+04  8.3134E+03  0.0000E+00  1.1289E+05  0.0000E+00
   9.283m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0200E+01  5.9274E+01  0.0000E+00  2.6932E-02

  rolling -2.8674E+04  3.1084E+02 -4.2644E+04 -1.1293E+04 -3.8817E+04  2.0147E+03  2.9540E+03  2.4978E+03  0.0000E+00
 averages -2.8849E+04  0.0000E+00  2.8462E+04 -1.3188E+05  3.8812E+04  7.6581E+03  0.0000E+00  1.1387E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0199E+01  5.9276E+01  0.0000E+00 -3.7200E-02
 ------------------------------------------------------------------------------------------------------------------------
     2350 -2.8679E+04  3.1202E+02 -4.2702E+04 -1.1229E+04 -3.8885E+04  2.0176E+03  2.9426E+03  2.4527E+03  0.0000E+00
   2.350p -2.8726E+04  0.0000E+00  2.8188E+04 -1.3271E+05  3.8880E+04  8.3132E+03  0.0000E+00  1.1371E+05  0.0000E+00
   9.321m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0200E+01  5.9273E+01  0.0000E+00 -1.0127E-02

  rolling -2.8675E+04  3.1068E+02 -4.2638E+04 -1.1295E+04 -3.8809E+04  2.0172E+03  2.9557E+03  2.4927E+03  0.0000E+00
 averages -2.8834E+04  0.0000E+00  2.8400E+04 -1.3187E+05  3.8804E+04  7.5805E+03  0.0000E+00  1.1389E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0199E+01  5.9276E+01  0.0000E+00 -3.3788E-02
 ------------------------------------------------------------------------------------------------------------------------
     2360 -2.8680E+04  3.1077E+02 -4.2646E+04 -1.1245E+04 -3.8908E+04  2.0313E+03  2.9876E+03  2.4883E+03  0.0000E+00
   2.360p -2.7970E+04  0.0000E+00  2.5803E+04 -1.3249E+05  3.8904E+04  5.9067E+03  0.0000E+00  1.1348E+05  0.0000E+00
   9.359m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0201E+01  5.9274E+01  0.0000E+00  1.5142E-01

  rolling -2.8676E+04  3.1057E+02 -4.2634E+04 -1.1292E+04 -3.8808E+04  2.0199E+03  2.9566E+03  2.4902E+03  0.0000E+00
 averages -2.8789E+04  0.0000E+00  2.8255E+04 -1.3190E+05  3.8803E+04  7.5097E+03  0.0000E+00  1.1385E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0199E+01  5.9275E+01  0.0000E+00 -2.4164E-02
 ------------------------------------------------------------------------------------------------------------------------
     2370 -2.8681E+04  3.1067E+02 -4.2643E+04 -1.1260E+04 -3.8901E+04  1.9896E+03  3.0166E+03  2.5120E+03  0.0000E+00
   2.370p -2.8723E+04  0.0000E+00  2.8051E+04 -1.3231E+05  3.8899E+04  7.0469E+03  0.0000E+00  1.1442E+05  0.0000E+00
   9.398m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9858E+01  9.0201E+01  5.9274E+01  0.0000E+00 -9.0173E-03

  rolling -2.8677E+04  3.1048E+02 -4.2630E+04 -1.1288E+04 -3.8815E+04  2.0176E+03  2.9644E+03  2.4913E+03  0.0000E+00
 averages -2.8747E+04  0.0000E+00  2.8117E+04 -1.3197E+05  3.8811E+04  7.4333E+03  0.0000E+00  1.1384E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9860E+01  9.0200E+01  5.9275E+01  0.0000E+00 -1.4950E-02
 ------------------------------------------------------------------------------------------------------------------------
     2380 -2.8682E+04  3.1107E+02 -4.2662E+04 -1.1295E+04 -3.8891E+04  2.0223E+03  2.9896E+03  2.5118E+03  0.0000E+00
   2.380p -3.0166E+04  0.0000E+00  3.2411E+04 -1.3192E+05  3.8886E+04  9.6847E+03  0.0000E+00  1.1576E+05  0.0000E+00
   9.436m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9858E+01  9.0200E+01  5.9274E+01  0.0000E+00 -3.1642E-01

  rolling -2.8677E+04  3.1046E+02 -4.2630E+04 -1.1289E+04 -3.8822E+04  2.0177E+03  2.9719E+03  2.4919E+03  0.0000E+00
 averages -2.8791E+04  0.0000E+00  2.8246E+04 -1.3196E+05  3.8818E+04  7.4125E+03  0.0000E+00  1.1398E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0200E+01  5.9275E+01  0.0000E+00 -2.4220E-02
 ------------------------------------------------------------------------------------------------------------------------
     2390 -2.8682E+04  3.0990E+02 -4.2610E+04 -1.1303E+04 -3.8842E+04  2.0627E+03  2.9537E+03  2.5189E+03  0.0000E+00
   2.390p -2.9252E+04  0.0000E+00  2.9564E+04 -1.3186E+05  3.8841E+04  8.0908E+03  0.0000E+00  1.1449E+05  0.0000E+00
   9.476m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9858E+01  9.0201E+01  5.9275E+01  0.0000E+00 -1.2153E-01

  rolling -2.8678E+04  3.1048E+02 -4.2632E+04 -1.1289E+04 -3.8830E+04  2.0233E+03  2.9714E+03  2.4926E+03  0.0000E+00
 averages -2.8830E+04  0.0000E+00  2.8363E+04 -1.3197E+05  3.8826E+04  7.4835E+03  0.0000E+00  1.1403E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0200E+01  5.9274E+01  0.0000E+00 -3.2366E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2400 -2.8684E+04  3.1165E+02 -4.2690E+04 -1.1315E+04 -3.8872E+04  2.0198E+03  2.9682E+03  2.5082E+03  0.0000E+00
   2.400p -2.8732E+04  0.0000E+00  2.8155E+04 -1.3173E+05  3.8871E+04  6.0822E+03  0.0000E+00  1.1493E+05  0.0000E+00
   9.512m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9857E+01  9.0200E+01  5.9276E+01  0.0000E+00 -1.0206E-02

  rolling -2.8679E+04  3.1084E+02 -4.2648E+04 -1.1291E+04 -3.8842E+04  2.0234E+03  2.9701E+03  2.4913E+03  0.0000E+00
 averages -2.8866E+04  0.0000E+00  2.8501E+04 -1.3196E+05  3.8838E+04  7.5027E+03  0.0000E+00  1.1412E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0200E+01  5.9274E+01  0.0000E+00 -3.9906E-02
 ------------------------------------------------------------------------------------------------------------------------
     2410 -2.8686E+04  3.1359E+02 -4.2780E+04 -1.1283E+04 -3.8951E+04  2.0053E+03  2.9236E+03  2.5249E+03  0.0000E+00
   2.410p -2.8420E+04  0.0000E+00  2.7387E+04 -1.3222E+05  3.8949E+04  7.5948E+03  0.0000E+00  1.1306E+05  0.0000E+00
   9.553m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9857E+01  9.0199E+01  5.9277E+01  0.0000E+00  5.6879E-02

  rolling -2.8680E+04  3.1119E+02 -4.2665E+04 -1.1289E+04 -3.8859E+04  2.0256E+03  2.9656E+03  2.4917E+03  0.0000E+00
 averages -2.8802E+04  0.0000E+00  2.8337E+04 -1.3200E+05  3.8856E+04  7.4539E+03  0.0000E+00  1.1403E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9859E+01  9.0200E+01  5.9275E+01  0.0000E+00 -2.6055E-02
 ------------------------------------------------------------------------------------------------------------------------
     2420 -2.8688E+04  3.1141E+02 -4.2683E+04 -1.1321E+04 -3.8915E+04  2.0332E+03  3.0127E+03  2.5071E+03  0.0000E+00
   2.420p -2.9441E+04  0.0000E+00  3.0251E+04 -1.3170E+05  3.8914E+04  8.2487E+03  0.0000E+00  1.1479E+05  0.0000E+00
   9.588m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9856E+01  9.0200E+01  5.9278E+01  0.0000E+00 -1.6071E-01

  rolling -2.8681E+04  3.1138E+02 -4.2675E+04 -1.1283E+04 -3.8879E+04  2.0247E+03  2.9690E+03  2.4926E+03  0.0000E+00
 averages -2.8801E+04  0.0000E+00  2.8349E+04 -1.3209E+05  3.8875E+04  7.5012E+03  0.0000E+00  1.1406E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9858E+01  9.0200E+01  5.9275E+01  0.0000E+00 -2.5632E-02
 ------------------------------------------------------------------------------------------------------------------------
     2430 -2.8690E+04  3.1186E+02 -4.2706E+04 -1.1257E+04 -3.8915E+04  1.9820E+03  2.9733E+03  2.5105E+03  0.0000E+00
   2.430p -2.8060E+04  0.0000E+00  2.6141E+04 -1.3259E+05  3.8914E+04  6.2260E+03  0.0000E+00  1.1360E+05  0.0000E+00
   9.628m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0200E+01  5.9279E+01  0.0000E+00  1.3438E-01

  rolling -2.8682E+04  3.1143E+02 -4.2679E+04 -1.1279E+04 -3.8890E+04  2.0209E+03  2.9722E+03  2.4961E+03  0.0000E+00
 averages -2.8823E+04  0.0000E+00  2.8414E+04 -1.3216E+05  3.8887E+04  7.5673E+03  0.0000E+00  1.1412E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9858E+01  9.0200E+01  5.9275E+01  0.0000E+00 -2.9944E-02
 ------------------------------------------------------------------------------------------------------------------------
     2440 -2.8691E+04  3.1201E+02 -4.2714E+04 -1.1246E+04 -3.9025E+04  2.0822E+03  2.9833E+03  2.4916E+03  0.0000E+00
   2.440p -2.8664E+04  0.0000E+00  2.7964E+04 -1.3274E+05  3.9024E+04  6.2154E+03  0.0000E+00  1.1546E+05  0.0000E+00
   9.664m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0199E+01  5.9279E+01  0.0000E+00  5.7662E-03

  rolling -2.8684E+04  3.1146E+02 -4.2681E+04 -1.1276E+04 -3.8905E+04  2.0257E+03  2.9732E+03  2.5009E+03  0.0000E+00
 averages -2.8820E+04  0.0000E+00  2.8404E+04 -1.3221E+05  3.8902E+04  7.4516E+03  0.0000E+00  1.1426E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9857E+01  9.0200E+01  5.9276E+01  0.0000E+00 -2.9048E-02
 ------------------------------------------------------------------------------------------------------------------------
     2450 -2.8693E+04  3.1150E+02 -4.2693E+04 -1.1192E+04 -3.8980E+04  2.0209E+03  2.9772E+03  2.4814E+03  0.0000E+00
   2.450p -2.8148E+04  0.0000E+00  2.6362E+04 -1.3352E+05  3.8978E+04  6.7245E+03  0.0000E+00  1.1418E+05  0.0000E+00
   9.705m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0199E+01  5.9279E+01  0.0000E+00  1.1632E-01

  rolling -2.8685E+04  3.1146E+02 -4.2683E+04 -1.1274E+04 -3.8915E+04  2.0233E+03  2.9781E+03  2.5046E+03  0.0000E+00
 averages -2.8784E+04  0.0000E+00  2.8290E+04 -1.3226E+05  3.8913E+04  7.2328E+03  0.0000E+00  1.1441E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9857E+01  9.0200E+01  5.9276E+01  0.0000E+00 -2.0983E-02
 ------------------------------------------------------------------------------------------------------------------------
     2460 -2.8693E+04  3.1195E+02 -4.2713E+04 -1.1148E+04 -3.9031E+04  2.0084E+03  2.9871E+03  2.4700E+03  0.0000E+00
   2.460p -2.7865E+04  0.0000E+00  2.5558E+04 -1.3413E+05  3.9029E+04  6.0821E+03  0.0000E+00  1.1457E+05  0.0000E+00
   9.741m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0199E+01  5.9280E+01  0.0000E+00  1.7647E-01

  rolling -2.8687E+04  3.1141E+02 -4.2682E+04 -1.1267E+04 -3.8927E+04  2.0236E+03  2.9830E+03  2.5049E+03  0.0000E+00
 averages -2.8737E+04  0.0000E+00  2.8142E+04 -1.3240E+05  3.8925E+04  7.1850E+03  0.0000E+00  1.1443E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9856E+01  9.0200E+01  5.9277E+01  0.0000E+00 -1.0725E-02
 ------------------------------------------------------------------------------------------------------------------------
     2470 -2.8695E+04  3.1138E+02 -4.2689E+04 -1.1093E+04 -3.9032E+04  2.0358E+03  2.9146E+03  2.4858E+03  0.0000E+00
   2.470p -2.8048E+04  0.0000E+00  2.6047E+04 -1.3490E+05  3.9027E+04  6.4612E+03  0.0000E+00  1.1546E+05  0.0000E+00
   9.781m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0200E+01  5.9280E+01  0.0000E+00  1.3797E-01

  rolling -2.8688E+04  3.1149E+02 -4.2687E+04 -1.1253E+04 -3.8939E+04  2.0255E+03  2.9776E+03  2.5023E+03  0.0000E+00
 averages -2.8724E+04  0.0000E+00  2.8105E+04 -1.3261E+05  3.8937E+04  7.1861E+03  0.0000E+00  1.1459E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9856E+01  9.0200E+01  5.9277E+01  0.0000E+00 -7.6351E-03
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2480 -2.8696E+04  3.1152E+02 -4.2696E+04 -1.1090E+04 -3.9104E+04  2.0418E+03  2.9504E+03  2.5063E+03  0.0000E+00
   2.480p -2.8430E+04  0.0000E+00  2.7204E+04 -1.3492E+05  3.9099E+04  7.4162E+03  0.0000E+00  1.1561E+05  0.0000E+00
   9.817m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0200E+01  5.9280E+01  0.0000E+00  5.6680E-02

  rolling -2.8689E+04  3.1150E+02 -4.2689E+04 -1.1233E+04 -3.8957E+04  2.0292E+03  2.9711E+03  2.5007E+03  0.0000E+00
 averages -2.8565E+04  0.0000E+00  2.7627E+04 -1.3291E+05  3.8955E+04  7.0227E+03  0.0000E+00  1.1456E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9856E+01  9.0200E+01  5.9278E+01  0.0000E+00  2.6436E-02
 ------------------------------------------------------------------------------------------------------------------------
     2490 -2.8696E+04  3.0924E+02 -4.2594E+04 -1.1083E+04 -3.9062E+04  2.0103E+03  3.0048E+03  2.5359E+03  0.0000E+00
   2.490p -2.8105E+04  0.0000E+00  2.6024E+04 -1.3495E+05  3.9058E+04  6.3082E+03  0.0000E+00  1.1561E+05  0.0000E+00
   9.859m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0201E+01  5.9280E+01  0.0000E+00  1.2601E-01

  rolling -2.8691E+04  3.1153E+02 -4.2691E+04 -1.1211E+04 -3.8979E+04  2.0250E+03  2.9726E+03  2.5014E+03  0.0000E+00
 averages -2.8427E+04  0.0000E+00  2.7210E+04 -1.3322E+05  3.8977E+04  6.8007E+03  0.0000E+00  1.1465E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0200E+01  5.9279E+01  0.0000E+00  5.6308E-02
 ------------------------------------------------------------------------------------------------------------------------
     2500 -2.8695E+04  3.1144E+02 -4.2692E+04 -1.1111E+04 -3.9073E+04  2.0006E+03  2.9623E+03  2.5292E+03  0.0000E+00
   2.500p -2.7674E+04  0.0000E+00  2.4932E+04 -1.3453E+05  3.9067E+04  5.3606E+03  0.0000E+00  1.1504E+05  0.0000E+00
   9.897m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0201E+01  5.9280E+01  0.0000E+00  2.1767E-01

  rolling -2.8692E+04  3.1141E+02 -4.2687E+04 -1.1190E+04 -3.9000E+04  2.0250E+03  2.9745E+03  2.5036E+03  0.0000E+00
 averages -2.8322E+04  0.0000E+00  2.6881E+04 -1.3352E+05  3.8998E+04  6.6983E+03  0.0000E+00  1.1470E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0200E+01  5.9279E+01  0.0000E+00  7.8902E-02
 ------------------------------------------------------------------------------------------------------------------------
     2510 -2.8697E+04  3.1227E+02 -4.2731E+04 -1.1148E+04 -3.9042E+04  2.0049E+03  2.9431E+03  2.5109E+03  0.0000E+00
   2.510p -2.8227E+04  0.0000E+00  2.6657E+04 -1.3396E+05  3.9036E+04  7.0819E+03  0.0000E+00  1.1450E+05  0.0000E+00
   9.937m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0202E+01  5.9279E+01  0.0000E+00  1.0034E-01

  rolling -2.8693E+04  3.1144E+02 -4.2690E+04 -1.1173E+04 -3.9015E+04  2.0204E+03  2.9745E+03  2.5039E+03  0.0000E+00
 averages -2.8265E+04  0.0000E+00  2.6709E+04 -1.3374E+05  3.9012E+04  6.6299E+03  0.0000E+00  1.1480E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0200E+01  5.9279E+01  0.0000E+00  9.1276E-02
 ------------------------------------------------------------------------------------------------------------------------
     2520 -2.8701E+04  3.1316E+02 -4.2776E+04 -1.1174E+04 -3.8997E+04  1.9856E+03  2.9306E+03  2.4789E+03  0.0000E+00
   2.520p -2.8409E+04  0.0000E+00  2.7270E+04 -1.3361E+05  3.8993E+04  8.0735E+03  0.0000E+00  1.1381E+05  0.0000E+00
   9.973m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0202E+01  5.9280E+01  0.0000E+00  6.2441E-02

  rolling -2.8694E+04  3.1142E+02 -4.2690E+04 -1.1159E+04 -3.9022E+04  2.0191E+03  2.9700E+03  2.5015E+03  0.0000E+00
 averages -2.8197E+04  0.0000E+00  2.6501E+04 -1.3393E+05  3.9018E+04  6.5965E+03  0.0000E+00  1.1481E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0200E+01  5.9280E+01  0.0000E+00  1.0593E-01
 ------------------------------------------------------------------------------------------------------------------------
     2530 -2.8701E+04  3.1086E+02 -4.2672E+04 -1.1241E+04 -3.8937E+04  2.0690E+03  2.9637E+03  2.4730E+03  0.0000E+00
   2.530p -2.8312E+04  0.0000E+00  2.6773E+04 -1.3267E+05  3.8933E+04  7.0397E+03  0.0000E+00  1.1347E+05  0.0000E+00
  10.014m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0203E+01  5.9279E+01  0.0000E+00  8.3066E-02

  rolling -2.8695E+04  3.1152E+02 -4.2696E+04 -1.1151E+04 -3.9029E+04  2.0236E+03  2.9627E+03  2.4981E+03  0.0000E+00
 averages -2.8169E+04  0.0000E+00  2.6422E+04 -1.3402E+05  3.9025E+04  6.6394E+03  0.0000E+00  1.1478E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0200E+01  5.9280E+01  0.0000E+00  1.1224E-01
 ------------------------------------------------------------------------------------------------------------------------
     2540 -2.8703E+04  3.1292E+02 -4.2767E+04 -1.1274E+04 -3.8883E+04  1.9879E+03  2.9324E+03  2.4702E+03  0.0000E+00
   2.540p -2.8222E+04  0.0000E+00  2.6682E+04 -1.3223E+05  3.8880E+04  6.9248E+03  0.0000E+00  1.1310E+05  0.0000E+00
  10.052m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0204E+01  5.9280E+01  0.0000E+00  1.0269E-01

  rolling -2.8696E+04  3.1154E+02 -4.2698E+04 -1.1152E+04 -3.9020E+04  2.0194E+03  2.9596E+03  2.4949E+03  0.0000E+00
 averages -2.8153E+04  0.0000E+00  2.6371E+04 -1.3400E+05  3.9016E+04  6.7086E+03  0.0000E+00  1.1464E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0201E+01  5.9280E+01  0.0000E+00  1.1597E-01
 ------------------------------------------------------------------------------------------------------------------------
     2550 -2.8707E+04  3.1353E+02 -4.2797E+04 -1.1373E+04 -3.8831E+04  2.0177E+03  2.8974E+03  2.4912E+03  0.0000E+00
   2.550p -2.9173E+04  0.0000E+00  2.9582E+04 -1.3092E+05  3.8830E+04  8.2882E+03  0.0000E+00  1.1338E+05  0.0000E+00
  10.090m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0204E+01  5.9280E+01  0.0000E+00 -9.9554E-02

  rolling -2.8698E+04  3.1171E+02 -4.2707E+04 -1.1162E+04 -3.9007E+04  2.0169E+03  2.9519E+03  2.4944E+03  0.0000E+00
 averages -2.8185E+04  0.0000E+00  2.6480E+04 -1.3384E+05  3.9003E+04  6.8286E+03  0.0000E+00  1.1448E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0201E+01  5.9280E+01  0.0000E+00  1.0932E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2560 -2.8709E+04  3.1403E+02 -4.2822E+04 -1.1450E+04 -3.8765E+04  1.9997E+03  2.8866E+03  2.5064E+03  0.0000E+00
   2.560p -2.9380E+04  0.0000E+00  3.0238E+04 -1.2996E+05  3.8763E+04  8.1131E+03  0.0000E+00  1.1332E+05  0.0000E+00
  10.128m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0204E+01  5.9280E+01  0.0000E+00 -1.4304E-01

  rolling -2.8699E+04  3.1198E+02 -4.2720E+04 -1.1188E+04 -3.8984E+04  2.0157E+03  2.9395E+03  2.4970E+03  0.0000E+00
 averages -2.8333E+04  0.0000E+00  2.6942E+04 -1.3348E+05  3.8980E+04  7.0142E+03  0.0000E+00  1.1442E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0202E+01  5.9280E+01  0.0000E+00  7.8189E-02
 ------------------------------------------------------------------------------------------------------------------------
     2570 -2.8713E+04  3.1260E+02 -4.2762E+04 -1.1428E+04 -3.8791E+04  1.9880E+03  2.9367E+03  2.5324E+03  0.0000E+00
   2.570p -2.9380E+04  0.0000E+00  3.0098E+04 -1.3030E+05  3.8788E+04  7.8265E+03  0.0000E+00  1.1378E+05  0.0000E+00
  10.166m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0205E+01  5.9280E+01  0.0000E+00 -1.4222E-01

  rolling -2.8701E+04  3.1213E+02 -4.2729E+04 -1.1221E+04 -3.8960E+04  2.0136E+03  2.9376E+03  2.5014E+03  0.0000E+00
 averages -2.8472E+04  0.0000E+00  2.7370E+04 -1.3303E+05  3.8956E+04  7.1930E+03  0.0000E+00  1.1425E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0202E+01  5.9280E+01  0.0000E+00  4.8751E-02
 ------------------------------------------------------------------------------------------------------------------------
     2580 -2.8714E+04  3.0946E+02 -4.2622E+04 -1.1368E+04 -3.8711E+04  2.0117E+03  2.9078E+03  2.5379E+03  0.0000E+00
   2.580p -2.9152E+04  0.0000E+00  2.9127E+04 -1.3112E+05  3.8708E+04  8.2386E+03  0.0000E+00  1.1330E+05  0.0000E+00
  10.207m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0206E+01  5.9281E+01  0.0000E+00 -9.3280E-02

  rolling -2.8703E+04  3.1214E+02 -4.2731E+04 -1.1253E+04 -3.8927E+04  2.0067E+03  2.9363E+03  2.5052E+03  0.0000E+00
 averages -2.8587E+04  0.0000E+00  2.7709E+04 -1.3259E+05  3.8923E+04  7.2814E+03  0.0000E+00  1.1410E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0203E+01  5.9280E+01  0.0000E+00  2.4712E-02
 ------------------------------------------------------------------------------------------------------------------------
     2590 -2.8714E+04  3.0953E+02 -4.2625E+04 -1.1314E+04 -3.8760E+04  2.0006E+03  2.8956E+03  2.5523E+03  0.0000E+00
   2.590p -2.8634E+04  0.0000E+00  2.7580E+04 -1.3186E+05  3.8756E+04  8.2254E+03  0.0000E+00  1.1246E+05  0.0000E+00
  10.243m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0206E+01  5.9282E+01  0.0000E+00  1.7161E-02

  rolling -2.8705E+04  3.1197E+02 -4.2725E+04 -1.1278E+04 -3.8892E+04  2.0095E+03  2.9275E+03  2.5076E+03  0.0000E+00
 averages -2.8641E+04  0.0000E+00  2.7851E+04 -1.3225E+05  3.8888E+04  7.4236E+03  0.0000E+00  1.1379E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0203E+01  5.9280E+01  0.0000E+00  1.3514E-02
 ------------------------------------------------------------------------------------------------------------------------
     2600 -2.8712E+04  3.0912E+02 -4.2605E+04 -1.1356E+04 -3.8774E+04  2.0212E+03  2.9564E+03  2.5479E+03  0.0000E+00
   2.600p -2.9189E+04  0.0000E+00  2.9215E+04 -1.3133E+05  3.8770E+04  8.3312E+03  0.0000E+00  1.1344E+05  0.0000E+00
  10.283m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0207E+01  5.9282E+01  0.0000E+00 -1.0168E-01

  rolling -2.8706E+04  3.1191E+02 -4.2724E+04 -1.1302E+04 -3.8863E+04  2.0061E+03  2.9249E+03  2.5092E+03  0.0000E+00
 averages -2.8742E+04  0.0000E+00  2.8142E+04 -1.3193E+05  3.8859E+04  7.6760E+03  0.0000E+00  1.1354E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0204E+01  5.9280E+01  0.0000E+00 -7.5287E-03
 ------------------------------------------------------------------------------------------------------------------------
     2610 -2.8711E+04  3.0949E+02 -4.2620E+04 -1.1354E+04 -3.8729E+04  1.9926E+03  2.9120E+03  2.5586E+03  0.0000E+00
   2.610p -2.9366E+04  0.0000E+00  2.9785E+04 -1.3138E+05  3.8726E+04  9.3124E+03  0.0000E+00  1.1313E+05  0.0000E+00
  10.319m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0206E+01  5.9283E+01  0.0000E+00 -1.3988E-01

  rolling -2.8708E+04  3.1161E+02 -4.2712E+04 -1.1325E+04 -3.8832E+04  2.0073E+03  2.9242E+03  2.5126E+03  0.0000E+00
 averages -2.8875E+04  0.0000E+00  2.8510E+04 -1.3164E+05  3.8829E+04  7.9461E+03  0.0000E+00  1.1338E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0205E+01  5.9281E+01  0.0000E+00 -3.5667E-02
 ------------------------------------------------------------------------------------------------------------------------
     2620 -2.8711E+04  3.0845E+02 -4.2573E+04 -1.1386E+04 -3.8689E+04  2.0364E+03  2.9287E+03  2.5373E+03  0.0000E+00
   2.620p -2.9879E+04  0.0000E+00  3.1230E+04 -1.3098E+05  3.8686E+04  9.0961E+03  0.0000E+00  1.1443E+05  0.0000E+00
  10.360m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0206E+01  5.9283E+01  0.0000E+00 -2.4924E-01

  rolling -2.8709E+04  3.1122E+02 -4.2696E+04 -1.1347E+04 -3.8801E+04  2.0129E+03  2.9211E+03  2.5180E+03  0.0000E+00
 averages -2.9028E+04  0.0000E+00  2.8930E+04 -1.3136E+05  3.8798E+04  8.1077E+03  0.0000E+00  1.1338E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0205E+01  5.9281E+01  0.0000E+00 -6.8015E-02
 ------------------------------------------------------------------------------------------------------------------------
     2630 -2.8711E+04  3.0765E+02 -4.2538E+04 -1.1372E+04 -3.8691E+04  2.0261E+03  2.9573E+03  2.5412E+03  0.0000E+00
   2.630p -2.9137E+04  0.0000E+00  2.8930E+04 -1.3118E+05  3.8689E+04  7.7023E+03  0.0000E+00  1.1372E+05  0.0000E+00
  10.396m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0206E+01  5.9282E+01  0.0000E+00 -9.0786E-02

  rolling -2.8710E+04  3.1098E+02 -4.2687E+04 -1.1365E+04 -3.8773E+04  2.0083E+03  2.9185E+03  2.5242E+03  0.0000E+00
 averages -2.9140E+04  0.0000E+00  2.9241E+04 -1.3115E+05  3.8770E+04  8.1682E+03  0.0000E+00  1.1345E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0205E+01  5.9281E+01  0.0000E+00 -9.1650E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2640 -2.8710E+04  3.0932E+02 -4.2612E+04 -1.1366E+04 -3.8681E+04  1.9476E+03  2.9235E+03  2.5644E+03  0.0000E+00
   2.640p -2.9076E+04  0.0000E+00  2.8898E+04 -1.3130E+05  3.8678E+04  8.0785E+03  0.0000E+00  1.1344E+05  0.0000E+00
  10.436m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0207E+01  5.9283E+01  0.0000E+00 -7.7890E-02

  rolling -2.8711E+04  3.1065E+02 -4.2672E+04 -1.1375E+04 -3.8751E+04  2.0054E+03  2.9162E+03  2.5326E+03  0.0000E+00
 averages -2.9222E+04  0.0000E+00  2.9457E+04 -1.3104E+05  3.8749E+04  8.2655E+03  0.0000E+00  1.1348E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0206E+01  5.9281E+01  0.0000E+00 -1.0906E-01
 ------------------------------------------------------------------------------------------------------------------------
     2650 -2.8707E+04  3.0701E+02 -4.2505E+04 -1.1362E+04 -3.8656E+04  2.0599E+03  2.8941E+03  2.5591E+03  0.0000E+00
   2.650p -2.9226E+04  0.0000E+00  2.9151E+04 -1.3138E+05  3.8651E+04  9.3096E+03  0.0000E+00  1.1257E+05  0.0000E+00
  10.472m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0208E+01  5.9283E+01  0.0000E+00 -1.1057E-01

  rolling -2.8712E+04  3.1005E+02 -4.2646E+04 -1.1380E+04 -3.8731E+04  2.0090E+03  2.9155E+03  2.5408E+03  0.0000E+00
 averages -2.9277E+04  0.0000E+00  2.9563E+04 -1.3101E+05  3.8728E+04  8.3901E+03  0.0000E+00  1.1345E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0206E+01  5.9282E+01  0.0000E+00 -1.2052E-01
 ------------------------------------------------------------------------------------------------------------------------
     2660 -2.8709E+04  3.1057E+02 -4.2667E+04 -1.1405E+04 -3.8721E+04  2.0136E+03  2.8913E+03  2.5543E+03  0.0000E+00
   2.660p -2.9692E+04  0.0000E+00  3.0863E+04 -1.3081E+05  3.8717E+04  8.4477E+03  0.0000E+00  1.1451E+05  0.0000E+00
  10.513m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0208E+01  5.9283E+01  0.0000E+00 -2.0958E-01

  rolling -2.8712E+04  3.0973E+02 -4.2631E+04 -1.1375E+04 -3.8723E+04  2.0063E+03  2.9137E+03  2.5465E+03  0.0000E+00
 averages -2.9270E+04  0.0000E+00  2.9515E+04 -1.3110E+05  3.8719E+04  8.4393E+03  0.0000E+00  1.1346E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0206E+01  5.9282E+01  0.0000E+00 -1.1911E-01
 ------------------------------------------------------------------------------------------------------------------------
     2670 -2.8711E+04  3.1318E+02 -4.2786E+04 -1.1414E+04 -3.8721E+04  1.9362E+03  2.8772E+03  2.5353E+03  0.0000E+00
   2.670p -2.9547E+04  0.0000E+00  3.0656E+04 -1.3074E+05  3.8716E+04  7.8313E+03  0.0000E+00  1.1485E+05  0.0000E+00
  10.550m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0208E+01  5.9283E+01  0.0000E+00 -1.7820E-01

  rolling -2.8712E+04  3.0948E+02 -4.2620E+04 -1.1372E+04 -3.8716E+04  2.0075E+03  2.9119E+03  2.5489E+03  0.0000E+00
 averages -2.9308E+04  0.0000E+00  2.9605E+04 -1.3116E+05  3.8712E+04  8.4550E+03  0.0000E+00  1.1360E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0207E+01  5.9282E+01  0.0000E+00 -1.2713E-01
 ------------------------------------------------------------------------------------------------------------------------
     2680 -2.8711E+04  3.0763E+02 -4.2536E+04 -1.1309E+04 -3.8744E+04  2.0899E+03  2.8927E+03  2.5344E+03  0.0000E+00
   2.680p -2.9642E+04  0.0000E+00  3.0446E+04 -1.3214E+05  3.8739E+04  9.4211E+03  0.0000E+00  1.1443E+05  0.0000E+00
  10.590m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0208E+01  5.9283E+01  0.0000E+00 -1.9879E-01

  rolling -2.8711E+04  3.0944E+02 -4.2618E+04 -1.1369E+04 -3.8715E+04  2.0113E+03  2.9059E+03  2.5486E+03  0.0000E+00
 averages -2.9329E+04  0.0000E+00  2.9668E+04 -1.3123E+05  3.8711E+04  8.5223E+03  0.0000E+00  1.1367E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0207E+01  5.9282E+01  0.0000E+00 -1.3182E-01
 ------------------------------------------------------------------------------------------------------------------------
     2690 -2.8711E+04  3.1132E+02 -4.2702E+04 -1.1264E+04 -3.8819E+04  1.9660E+03  2.8867E+03  2.5286E+03  0.0000E+00
   2.690p -2.9164E+04  0.0000E+00  2.9340E+04 -1.3275E+05  3.8817E+04  9.2135E+03  0.0000E+00  1.1406E+05  0.0000E+00
  10.625m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0209E+01  5.9283E+01  0.0000E+00 -9.6536E-02

  rolling -2.8711E+04  3.0955E+02 -4.2623E+04 -1.1364E+04 -3.8720E+04  2.0060E+03  2.9074E+03  2.5473E+03  0.0000E+00
 averages -2.9385E+04  0.0000E+00  2.9844E+04 -1.3133E+05  3.8716E+04  8.6226E+03  0.0000E+00  1.1383E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0207E+01  5.9283E+01  0.0000E+00 -1.4370E-01
 ------------------------------------------------------------------------------------------------------------------------
     2700 -2.8710E+04  3.0859E+02 -4.2579E+04 -1.1266E+04 -3.8772E+04  2.0227E+03  2.9031E+03  2.5342E+03  0.0000E+00
   2.700p -2.8640E+04  0.0000E+00  2.7529E+04 -1.3276E+05  3.8770E+04  8.9920E+03  0.0000E+00  1.1253E+05  0.0000E+00
  10.667m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0208E+01  5.9282E+01  0.0000E+00  1.4832E-02

  rolling -2.8711E+04  3.0942E+02 -4.2617E+04 -1.1356E+04 -3.8723E+04  2.0122E+03  2.9045E+03  2.5452E+03  0.0000E+00
 averages -2.9378E+04  0.0000E+00  2.9814E+04 -1.3145E+05  3.8719E+04  8.7226E+03  0.0000E+00  1.1383E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0207E+01  5.9283E+01  0.0000E+00 -1.4236E-01
 ------------------------------------------------------------------------------------------------------------------------
     2710 -2.8710E+04  3.0997E+02 -4.2641E+04 -1.1298E+04 -3.8845E+04  2.0436E+03  2.9174E+03  2.5403E+03  0.0000E+00
   2.710p -2.9351E+04  0.0000E+00  2.9781E+04 -1.3232E+05  3.8840E+04  9.6558E+03  0.0000E+00  1.1360E+05  0.0000E+00
  10.703m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0207E+01  5.9282E+01  0.0000E+00 -1.3654E-01

  rolling -2.8711E+04  3.0948E+02 -4.2619E+04 -1.1349E+04 -3.8727E+04  2.0123E+03  2.9015E+03  2.5437E+03  0.0000E+00
 averages -2.9355E+04  0.0000E+00  2.9749E+04 -1.3156E+05  3.8724E+04  8.7626E+03  0.0000E+00  1.1382E+05  0.0000E+00
           3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0207E+01  5.9283E+01  0.0000E+00 -1.3740E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2720 -2.8712E+04  3.1215E+02 -4.2741E+04 -1.1310E+04 -3.8869E+04  1.9912E+03  2.9091E+03  2.5388E+03  0.0000E+00
   2.720p -2.9326E+04  0.0000E+00  2.9898E+04 -1.3217E+05  3.8865E+04  9.1554E+03  0.0000E+00  1.1405E+05  0.0000E+00
  10.743m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0207E+01  5.9281E+01  0.0000E+00 -1.3091E-01

  rolling -2.8710E+04  3.0969E+02 -4.2628E+04 -1.1340E+04 -3.8745E+04  2.0087E+03  2.9051E+03  2.5427E+03  0.0000E+00
 averages -2.9305E+04  0.0000E+00  2.9620E+04 -1.3170E+05  3.8741E+04  8.7698E+03  0.0000E+00  1.1381E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0208E+01  5.9282E+01  0.0000E+00 -1.2688E-01
 ------------------------------------------------------------------------------------------------------------------------
     2730 -2.8711E+04  3.0828E+02 -4.2566E+04 -1.1317E+04 -3.8809E+04  2.0220E+03  2.9925E+03  2.5461E+03  0.0000E+00
   2.730p -2.9105E+04  0.0000E+00  2.8891E+04 -1.3206E+05  3.8806E+04  8.4486E+03  0.0000E+00  1.1369E+05  0.0000E+00
  10.778m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0207E+01  5.9282E+01  0.0000E+00 -8.3982E-02

  rolling -2.8710E+04  3.0963E+02 -4.2626E+04 -1.1333E+04 -3.8759E+04  2.0119E+03  2.9105E+03  2.5436E+03  0.0000E+00
 averages -2.9271E+04  0.0000E+00  2.9514E+04 -1.3181E+05  3.8755E+04  8.8222E+03  0.0000E+00  1.1375E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0208E+01  5.9282E+01  0.0000E+00 -1.1966E-01
 ------------------------------------------------------------------------------------------------------------------------
     2740 -2.8711E+04  3.1090E+02 -4.2683E+04 -1.1333E+04 -3.8867E+04  2.0317E+03  2.9359E+03  2.5501E+03  0.0000E+00
   2.740p -2.9387E+04  0.0000E+00  2.9974E+04 -1.3183E+05  3.8864E+04  8.8784E+03  0.0000E+00  1.1406E+05  0.0000E+00
  10.819m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9847E+01  9.0207E+01  5.9282E+01  0.0000E+00 -1.4433E-01

  rolling -2.8710E+04  3.0970E+02 -4.2629E+04 -1.1328E+04 -3.8773E+04  2.0143E+03  2.9150E+03  2.5428E+03  0.0000E+00
 averages -2.9285E+04  0.0000E+00  2.9560E+04 -1.3189E+05  3.8769E+04  8.9073E+03  0.0000E+00  1.1377E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0208E+01  5.9282E+01  0.0000E+00 -1.2249E-01
 ------------------------------------------------------------------------------------------------------------------------
     2750 -2.8712E+04  3.1119E+02 -4.2697E+04 -1.1334E+04 -3.8867E+04  2.0256E+03  2.9253E+03  2.5531E+03  0.0000E+00
   2.750p -2.9535E+04  0.0000E+00  3.0440E+04 -1.3178E+05  3.8865E+04  9.2443E+03  0.0000E+00  1.1411E+05  0.0000E+00
  10.858m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9847E+01  9.0208E+01  5.9282E+01  0.0000E+00 -1.7564E-01

  rolling -2.8711E+04  3.1009E+02 -4.2647E+04 -1.1325E+04 -3.8796E+04  2.0128E+03  2.9191E+03  2.5419E+03  0.0000E+00
 averages -2.9309E+04  0.0000E+00  2.9669E+04 -1.3194E+05  3.8792E+04  8.9275E+03  0.0000E+00  1.1389E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0208E+01  5.9282E+01  0.0000E+00 -1.2774E-01
 ------------------------------------------------------------------------------------------------------------------------
     2760 -2.8712E+04  3.1023E+02 -4.2654E+04 -1.1315E+04 -3.8820E+04  1.9782E+03  2.9478E+03  2.5549E+03  0.0000E+00
   2.760p -2.8864E+04  0.0000E+00  2.8342E+04 -1.3202E+05  3.8816E+04  7.9619E+03  0.0000E+00  1.1358E+05  0.0000E+00
  10.895m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0210E+01  5.9282E+01  0.0000E+00 -3.2551E-02

  rolling -2.8711E+04  3.1006E+02 -4.2645E+04 -1.1319E+04 -3.8808E+04  2.0159E+03  2.9240E+03  2.5414E+03  0.0000E+00
 averages -2.9297E+04  0.0000E+00  2.9628E+04 -1.3202E+05  3.8805E+04  8.9151E+03  0.0000E+00  1.1393E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0208E+01  5.9282E+01  0.0000E+00 -1.2504E-01
 ------------------------------------------------------------------------------------------------------------------------
     2770 -2.8712E+04  3.1007E+02 -4.2647E+04 -1.1347E+04 -3.8830E+04  2.0162E+03  2.9645E+03  2.5492E+03  0.0000E+00
   2.770p -2.8767E+04  0.0000E+00  2.8036E+04 -1.3163E+05  3.8825E+04  6.5980E+03  0.0000E+00  1.1425E+05  0.0000E+00
  10.934m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0211E+01  5.9282E+01  0.0000E+00 -1.1751E-02

  rolling -2.8711E+04  3.1005E+02 -4.2645E+04 -1.1310E+04 -3.8820E+04  2.0137E+03  2.9287E+03  2.5425E+03  0.0000E+00
 averages -2.9210E+04  0.0000E+00  2.9365E+04 -1.3213E+05  3.8816E+04  8.8219E+03  0.0000E+00  1.1386E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0208E+01  5.9282E+01  0.0000E+00 -1.0642E-01
 ------------------------------------------------------------------------------------------------------------------------
     2780 -2.8714E+04  3.1085E+02 -4.2684E+04 -1.1321E+04 -3.8796E+04  1.9826E+03  2.9249E+03  2.5253E+03  0.0000E+00
   2.780p -2.8289E+04  0.0000E+00  2.6666E+04 -1.3199E+05  3.8795E+04  6.6111E+03  0.0000E+00  1.1325E+05  0.0000E+00
  10.972m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0211E+01  5.9282E+01  0.0000E+00  9.0629E-02

  rolling -2.8711E+04  3.1007E+02 -4.2646E+04 -1.1308E+04 -3.8828E+04  2.0114E+03  2.9352E+03  2.5427E+03  0.0000E+00
 averages -2.9101E+04  0.0000E+00  2.9038E+04 -1.3217E+05  3.8825E+04  8.6004E+03  0.0000E+00  1.1378E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0208E+01  5.9282E+01  0.0000E+00 -8.3042E-02
 ------------------------------------------------------------------------------------------------------------------------
     2790 -2.8713E+04  3.0994E+02 -4.2642E+04 -1.1323E+04 -3.8747E+04  2.0106E+03  2.9091E+03  2.5074E+03  0.0000E+00
   2.790p -2.8382E+04  0.0000E+00  2.6866E+04 -1.3200E+05  3.8745E+04  7.2903E+03  0.0000E+00  1.1283E+05  0.0000E+00
  11.010m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0212E+01  5.9282E+01  0.0000E+00  7.0569E-02

  rolling -2.8712E+04  3.1009E+02 -4.2647E+04 -1.1312E+04 -3.8826E+04  2.0132E+03  2.9365E+03  2.5409E+03  0.0000E+00
 averages -2.8997E+04  0.0000E+00  2.8727E+04 -1.3211E+05  3.8823E+04  8.3713E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0209E+01  5.9282E+01  0.0000E+00 -6.0826E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2800 -2.8712E+04  3.0997E+02 -4.2643E+04 -1.1310E+04 -3.8733E+04  2.0520E+03  2.8626E+03  2.4858E+03  0.0000E+00
   2.800p -2.8083E+04  0.0000E+00  2.5972E+04 -1.3215E+05  3.8727E+04  6.7495E+03  0.0000E+00  1.1264E+05  0.0000E+00
  11.050m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0212E+01  5.9282E+01  0.0000E+00  1.3433E-01

  rolling -2.8712E+04  3.1024E+02 -4.2654E+04 -1.1316E+04 -3.8820E+04  2.0122E+03  2.9322E+03  2.5376E+03  0.0000E+00
 averages -2.8929E+04  0.0000E+00  2.8537E+04 -1.3205E+05  3.8816E+04  8.1654E+03  0.0000E+00  1.1361E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0209E+01  5.9282E+01  0.0000E+00 -4.6364E-02
 ------------------------------------------------------------------------------------------------------------------------
     2810 -2.8713E+04  3.1119E+02 -4.2699E+04 -1.1390E+04 -3.8710E+04  1.9663E+03  2.9726E+03  2.4625E+03  0.0000E+00
   2.810p -2.8627E+04  0.0000E+00  2.7711E+04 -1.3101E+05  3.8702E+04  6.0683E+03  0.0000E+00  1.1396E+05  0.0000E+00
  11.091m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0214E+01  5.9282E+01  0.0000E+00  1.8455E-02

  rolling -2.8712E+04  3.1033E+02 -4.2659E+04 -1.1323E+04 -3.8812E+04  2.0109E+03  2.9341E+03  2.5309E+03  0.0000E+00
 averages -2.8866E+04  0.0000E+00  2.8356E+04 -1.3196E+05  3.8808E+04  7.8650E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0210E+01  5.9282E+01  0.0000E+00 -3.2856E-02
 ------------------------------------------------------------------------------------------------------------------------
     2820 -2.8716E+04  3.1207E+02 -4.2741E+04 -1.1385E+04 -3.8706E+04  1.9792E+03  2.9141E+03  2.4562E+03  0.0000E+00
   2.820p -2.9088E+04  0.0000E+00  2.9165E+04 -1.3109E+05  3.8699E+04  7.2592E+03  0.0000E+00  1.1430E+05  0.0000E+00
  11.126m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0215E+01  5.9282E+01  0.0000E+00 -7.9316E-02

  rolling -2.8712E+04  3.1042E+02 -4.2663E+04 -1.1333E+04 -3.8796E+04  2.0084E+03  2.9346E+03  2.5227E+03  0.0000E+00
 averages -2.8819E+04  0.0000E+00  2.8221E+04 -1.3181E+05  3.8791E+04  7.5727E+03  0.0000E+00  1.1367E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0210E+01  5.9282E+01  0.0000E+00 -2.2681E-02
 ------------------------------------------------------------------------------------------------------------------------
     2830 -2.8715E+04  3.0885E+02 -4.2595E+04 -1.1400E+04 -3.8708E+04  2.0574E+03  2.9864E+03  2.4693E+03  0.0000E+00
   2.830p -3.0168E+04  0.0000E+00  3.2119E+04 -1.3086E+05  3.8702E+04  8.7909E+03  0.0000E+00  1.1549E+05  0.0000E+00
  11.167m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0215E+01  5.9281E+01  0.0000E+00 -3.0999E-01

  rolling -2.8713E+04  3.1051E+02 -4.2667E+04 -1.1342E+04 -3.8782E+04  2.0077E+03  2.9342E+03  2.5148E+03  0.0000E+00
 averages -2.8876E+04  0.0000E+00  2.8399E+04 -1.3169E+05  3.8778E+04  7.5256E+03  0.0000E+00  1.1379E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0211E+01  5.9282E+01  0.0000E+00 -3.4784E-02
 ------------------------------------------------------------------------------------------------------------------------
     2840 -2.8715E+04  3.0922E+02 -4.2612E+04 -1.1339E+04 -3.8694E+04  2.0013E+03  2.9289E+03  2.4905E+03  0.0000E+00
   2.840p -2.8963E+04  0.0000E+00  2.8536E+04 -1.3172E+05  3.8690E+04  7.9541E+03  0.0000E+00  1.1361E+05  0.0000E+00
  11.203m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9281E+01  0.0000E+00 -5.2812E-02

  rolling -2.8713E+04  3.1052E+02 -4.2669E+04 -1.1347E+04 -3.8770E+04  2.0060E+03  2.9336E+03  2.5081E+03  0.0000E+00
 averages -2.8909E+04  0.0000E+00  2.8499E+04 -1.3162E+05  3.8765E+04  7.5056E+03  0.0000E+00  1.1385E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0212E+01  5.9282E+01  0.0000E+00 -4.1842E-02
 ------------------------------------------------------------------------------------------------------------------------
     2850 -2.8714E+04  3.0981E+02 -4.2638E+04 -1.1354E+04 -3.8744E+04  2.0223E+03  2.9243E+03  2.5136E+03  0.0000E+00
   2.850p -2.9062E+04  0.0000E+00  2.8888E+04 -1.3149E+05  3.8739E+04  7.3750E+03  0.0000E+00  1.1426E+05  0.0000E+00
  11.244m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9281E+01  0.0000E+00 -7.4083E-02

  rolling -2.8714E+04  3.1020E+02 -4.2655E+04 -1.1347E+04 -3.8753E+04  2.0104E+03  2.9318E+03  2.5031E+03  0.0000E+00
 averages -2.8854E+04  0.0000E+00  2.8303E+04 -1.3161E+05  3.8748E+04  7.3527E+03  0.0000E+00  1.1381E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0213E+01  5.9282E+01  0.0000E+00 -2.9946E-02
 ------------------------------------------------------------------------------------------------------------------------
     2860 -2.8714E+04  3.0796E+02 -4.2554E+04 -1.1337E+04 -3.8735E+04  2.0353E+03  2.9611E+03  2.5213E+03  0.0000E+00
   2.860p -2.8600E+04  0.0000E+00  2.7339E+04 -1.3178E+05  3.8729E+04  8.0814E+03  0.0000E+00  1.1231E+05  0.0000E+00
  11.279m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0215E+01  5.9280E+01  0.0000E+00  2.4272E-02

  rolling -2.8714E+04  3.1017E+02 -4.2654E+04 -1.1351E+04 -3.8745E+04  2.0076E+03  2.9351E+03  2.4998E+03  0.0000E+00
 averages -2.8814E+04  0.0000E+00  2.8179E+04 -1.3157E+05  3.8741E+04  7.2497E+03  0.0000E+00  1.1375E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0213E+01  5.9281E+01  0.0000E+00 -2.1277E-02
 ------------------------------------------------------------------------------------------------------------------------
     2870 -2.8713E+04  3.0886E+02 -4.2594E+04 -1.1375E+04 -3.8652E+04  1.9739E+03  2.9337E+03  2.5264E+03  0.0000E+00
   2.870p -2.8776E+04  0.0000E+00  2.7951E+04 -1.3127E+05  3.8646E+04  7.8504E+03  0.0000E+00  1.1272E+05  0.0000E+00
  11.320m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0216E+01  5.9279E+01  0.0000E+00 -1.3477E-02

  rolling -2.8714E+04  3.0997E+02 -4.2645E+04 -1.1352E+04 -3.8731E+04  2.0091E+03  2.9324E+03  2.4967E+03  0.0000E+00
 averages -2.8787E+04  0.0000E+00  2.8081E+04 -1.3155E+05  3.8725E+04  7.3390E+03  0.0000E+00  1.1357E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0214E+01  5.9281E+01  0.0000E+00 -1.5647E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2880 -2.8710E+04  3.0727E+02 -4.2519E+04 -1.1327E+04 -3.8664E+04  2.0342E+03  2.9195E+03  2.5175E+03  0.0000E+00
   2.880p -2.8636E+04  0.0000E+00  2.7396E+04 -1.3199E+05  3.8659E+04  8.2621E+03  0.0000E+00  1.1247E+05  0.0000E+00
  11.359m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0216E+01  5.9279E+01  0.0000E+00  1.5857E-02

  rolling -2.8714E+04  3.0963E+02 -4.2629E+04 -1.1355E+04 -3.8714E+04  2.0141E+03  2.9306E+03  2.4955E+03  0.0000E+00
 averages -2.8834E+04  0.0000E+00  2.8191E+04 -1.3151E+05  3.8709E+04  7.5013E+03  0.0000E+00  1.1349E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0214E+01  5.9281E+01  0.0000E+00 -2.5639E-02
 ------------------------------------------------------------------------------------------------------------------------
     2890 -2.8710E+04  3.0893E+02 -4.2594E+04 -1.1355E+04 -3.8746E+04  1.9970E+03  3.0186E+03  2.4910E+03  0.0000E+00
   2.890p -2.9217E+04  0.0000E+00  2.9287E+04 -1.3167E+05  3.8742E+04  8.5025E+03  0.0000E+00  1.1372E+05  0.0000E+00
  11.396m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0216E+01  5.9280E+01  0.0000E+00 -1.0804E-01

  rolling -2.8714E+04  3.0958E+02 -4.2627E+04 -1.1356E+04 -3.8709E+04  2.0106E+03  2.9339E+03  2.4942E+03  0.0000E+00
 averages -2.8878E+04  0.0000E+00  2.8318E+04 -1.3151E+05  3.8703E+04  7.6376E+03  0.0000E+00  1.1349E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0215E+01  5.9281E+01  0.0000E+00 -3.4992E-02
 ------------------------------------------------------------------------------------------------------------------------
     2900 -2.8710E+04  3.1079E+02 -4.2677E+04 -1.1330E+04 -3.8732E+04  1.9851E+03  2.9295E+03  2.4700E+03  0.0000E+00
   2.900p -2.8394E+04  0.0000E+00  2.6985E+04 -1.3207E+05  3.8725E+04  6.5385E+03  0.0000E+00  1.1379E+05  0.0000E+00
  11.434m  3.2138E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9280E+01  0.0000E+00  6.7508E-02

  rolling -2.8713E+04  3.0956E+02 -4.2625E+04 -1.1362E+04 -3.8709E+04  2.0073E+03  2.9452E+03  2.4926E+03  0.0000E+00
 averages -2.8965E+04  0.0000E+00  2.8581E+04 -1.3145E+05  3.8703E+04  7.6843E+03  0.0000E+00  1.1365E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0215E+01  5.9281E+01  0.0000E+00 -5.3804E-02
 ------------------------------------------------------------------------------------------------------------------------
     2910 -2.8710E+04  3.1074E+02 -4.2675E+04 -1.1320E+04 -3.8776E+04  2.0302E+03  2.9271E+03  2.4634E+03  0.0000E+00
   2.910p -2.8269E+04  0.0000E+00  2.6608E+04 -1.3229E+05  3.8770E+04  6.2538E+03  0.0000E+00  1.1387E+05  0.0000E+00
  11.472m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9280E+01  0.0000E+00  9.4021E-02

  rolling -2.8713E+04  3.0955E+02 -4.2625E+04 -1.1357E+04 -3.8713E+04  2.0113E+03  2.9424E+03  2.4917E+03  0.0000E+00
 averages -2.8938E+04  0.0000E+00  2.8498E+04 -1.3154E+05  3.8707E+04  7.6760E+03  0.0000E+00  1.1365E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9280E+01  0.0000E+00 -4.7957E-02
 ------------------------------------------------------------------------------------------------------------------------
     2920 -2.8710E+04  3.0928E+02 -4.2609E+04 -1.1276E+04 -3.8742E+04  2.0219E+03  2.9164E+03  2.4713E+03  0.0000E+00
   2.920p -2.8486E+04  0.0000E+00  2.7127E+04 -1.3298E+05  3.8739E+04  7.8395E+03  0.0000E+00  1.1353E+05  0.0000E+00
  11.511m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0214E+01  5.9280E+01  0.0000E+00  4.7799E-02

  rolling -2.8713E+04  3.0945E+02 -4.2620E+04 -1.1349E+04 -3.8718E+04  2.0122E+03  2.9415E+03  2.4928E+03  0.0000E+00
 averages -2.8900E+04  0.0000E+00  2.8375E+04 -1.3169E+05  3.8712E+04  7.7203E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9280E+01  0.0000E+00 -3.9888E-02
 ------------------------------------------------------------------------------------------------------------------------
     2930 -2.8710E+04  3.0975E+02 -4.2631E+04 -1.1244E+04 -3.8829E+04  2.0172E+03  2.9418E+03  2.4837E+03  0.0000E+00
   2.930p -2.8115E+04  0.0000E+00  2.6055E+04 -1.3349E+05  3.8825E+04  7.2723E+03  0.0000E+00  1.1345E+05  0.0000E+00
  11.552m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0214E+01  5.9280E+01  0.0000E+00  1.2705E-01

  rolling -2.8712E+04  3.0933E+02 -4.2614E+04 -1.1333E+04 -3.8725E+04  2.0129E+03  2.9376E+03  2.4941E+03  0.0000E+00
 averages -2.8741E+04  0.0000E+00  2.7889E+04 -1.3195E+05  3.8720E+04  7.6795E+03  0.0000E+00  1.1344E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9280E+01  0.0000E+00 -6.0666E-03
 ------------------------------------------------------------------------------------------------------------------------
     2940 -2.8710E+04  3.1030E+02 -4.2655E+04 -1.1235E+04 -3.8910E+04  2.0230E+03  2.9629E+03  2.5046E+03  0.0000E+00
   2.940p -2.7973E+04  0.0000E+00  2.5680E+04 -1.3364E+05  3.8905E+04  5.5619E+03  0.0000E+00  1.1486E+05  0.0000E+00
  11.588m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0214E+01  5.9279E+01  0.0000E+00  1.5723E-01

  rolling -2.8712E+04  3.0936E+02 -4.2615E+04 -1.1323E+04 -3.8743E+04  2.0169E+03  2.9383E+03  2.4956E+03  0.0000E+00
 averages -2.8614E+04  0.0000E+00  2.7513E+04 -1.3215E+05  3.8738E+04  7.4629E+03  0.0000E+00  1.1346E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9280E+01  0.0000E+00  2.0904E-02
 ------------------------------------------------------------------------------------------------------------------------
     2950 -2.8710E+04  3.1010E+02 -4.2647E+04 -1.1153E+04 -3.8944E+04  2.0152E+03  2.9051E+03  2.5304E+03  0.0000E+00
   2.950p -2.7869E+04  0.0000E+00  2.5347E+04 -1.3480E+05  3.8941E+04  7.0998E+03  0.0000E+00  1.1410E+05  0.0000E+00
  11.628m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9279E+01  0.0000E+00  1.7961E-01

  rolling -2.8711E+04  3.0956E+02 -4.2623E+04 -1.1306E+04 -3.8765E+04  2.0104E+03  2.9401E+03  2.4971E+03  0.0000E+00
 averages -2.8485E+04  0.0000E+00  2.7146E+04 -1.3242E+05  3.8760E+04  7.3095E+03  0.0000E+00  1.1350E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9280E+01  0.0000E+00  4.8255E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     2960 -2.8711E+04  3.0849E+02 -4.2575E+04 -1.1131E+04 -3.8892E+04  1.9806E+03  2.9239E+03  2.5427E+03  0.0000E+00
   2.960p -2.8484E+04  0.0000E+00  2.7046E+04 -1.3511E+05  3.8890E+04  8.6044E+03  0.0000E+00  1.1466E+05  0.0000E+00
  11.663m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9278E+01  0.0000E+00  4.8552E-02

  rolling -2.8711E+04  3.0943E+02 -4.2617E+04 -1.1285E+04 -3.8781E+04  2.0103E+03  2.9402E+03  2.4993E+03  0.0000E+00
 averages -2.8435E+04  0.0000E+00  2.6987E+04 -1.3277E+05  3.8777E+04  7.3623E+03  0.0000E+00  1.1361E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9280E+01  0.0000E+00  5.8754E-02
 ------------------------------------------------------------------------------------------------------------------------
     2970 -2.8707E+04  3.0916E+02 -4.2601E+04 -1.1108E+04 -3.8910E+04  2.0105E+03  2.8731E+03  2.5338E+03  0.0000E+00
   2.970p -2.7878E+04  0.0000E+00  2.5302E+04 -1.3546E+05  3.8906E+04  7.2644E+03  0.0000E+00  1.1459E+05  0.0000E+00
  11.704m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0214E+01  5.9277E+01  0.0000E+00  1.7678E-01

  rolling -2.8710E+04  3.0934E+02 -4.2612E+04 -1.1261E+04 -3.8802E+04  2.0128E+03  2.9373E+03  2.5006E+03  0.0000E+00
 averages -2.8388E+04  0.0000E+00  2.6837E+04 -1.3315E+05  3.8798E+04  7.3632E+03  0.0000E+00  1.1383E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9279E+01  0.0000E+00  6.8779E-02
 ------------------------------------------------------------------------------------------------------------------------
     2980 -2.8704E+04  3.0917E+02 -4.2599E+04 -1.1140E+04 -3.8920E+04  2.0374E+03  2.8944E+03  2.5297E+03  0.0000E+00
   2.980p -2.8168E+04  0.0000E+00  2.6182E+04 -1.3504E+05  3.8913E+04  7.2970E+03  0.0000E+00  1.1502E+05  0.0000E+00
  11.740m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9277E+01  0.0000E+00  1.1429E-01

  rolling -2.8709E+04  3.0952E+02 -4.2620E+04 -1.1236E+04 -3.8830E+04  2.0078E+03  2.9366E+03  2.5016E+03  0.0000E+00
 averages -2.8289E+04  0.0000E+00  2.6561E+04 -1.3354E+05  3.8825E+04  7.2530E+03  0.0000E+00  1.1402E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0215E+01  5.9279E+01  0.0000E+00  8.9599E-02
 ------------------------------------------------------------------------------------------------------------------------
     2990 -2.8706E+04  3.1077E+02 -4.2672E+04 -1.1144E+04 -3.8910E+04  1.9988E+03  2.8596E+03  2.5233E+03  0.0000E+00
   2.990p -2.8024E+04  0.0000E+00  2.5888E+04 -1.3508E+05  3.8907E+04  8.5309E+03  0.0000E+00  1.1353E+05  0.0000E+00
  11.780m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9277E+01  0.0000E+00  1.4543E-01

  rolling -2.8709E+04  3.0954E+02 -4.2620E+04 -1.1216E+04 -3.8850E+04  2.0130E+03  2.9295E+03  2.5038E+03  0.0000E+00
 averages -2.8214E+04  0.0000E+00  2.6337E+04 -1.3386E+05  3.8846E+04  7.2183E+03  0.0000E+00  1.1413E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0214E+01  5.9279E+01  0.0000E+00  1.0566E-01
 ------------------------------------------------------------------------------------------------------------------------
     3000 -2.8703E+04  3.0765E+02 -4.2530E+04 -1.1234E+04 -3.8810E+04  2.0529E+03  2.9473E+03  2.5147E+03  0.0000E+00
   3.000p -2.7934E+04  0.0000E+00  2.5345E+04 -1.3382E+05  3.8806E+04  7.5435E+03  0.0000E+00  1.1281E+05  0.0000E+00
  11.816m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0212E+01  5.9275E+01  0.0000E+00  1.6408E-01

  rolling -2.8708E+04  3.0947E+02 -4.2616E+04 -1.1200E+04 -3.8862E+04  2.0184E+03  2.9195E+03  2.5078E+03  0.0000E+00
 averages -2.8117E+04  0.0000E+00  2.6043E+04 -1.3413E+05  3.8857E+04  7.2830E+03  0.0000E+00  1.1403E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0214E+01  5.9278E+01  0.0000E+00  1.2605E-01
 ------------------------------------------------------------------------------------------------------------------------
     3010 -2.8702E+04  3.0854E+02 -4.2569E+04 -1.1258E+04 -3.8793E+04  2.0014E+03  2.9770E+03  2.5034E+03  0.0000E+00
   3.010p -2.7727E+04  0.0000E+00  2.4807E+04 -1.3352E+05  3.8790E+04  7.4537E+03  0.0000E+00  1.1209E+05  0.0000E+00
  11.866m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0212E+01  5.9275E+01  0.0000E+00  2.0805E-01

  rolling -2.8708E+04  3.0928E+02 -4.2607E+04 -1.1194E+04 -3.8865E+04  2.0140E+03  2.9254E+03  2.5121E+03  0.0000E+00
 averages -2.8078E+04  0.0000E+00  2.5910E+04 -1.3426E+05  3.8861E+04  7.3806E+03  0.0000E+00  1.1393E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0214E+01  5.9278E+01  0.0000E+00  1.3435E-01
 ------------------------------------------------------------------------------------------------------------------------
     3020 -2.8704E+04  3.1100E+02 -4.2681E+04 -1.1277E+04 -3.8875E+04  1.9739E+03  3.0021E+03  2.4954E+03  0.0000E+00
   3.020p -2.9244E+04  0.0000E+00  2.9575E+04 -1.3320E+05  3.8874E+04  9.9036E+03  0.0000E+00  1.1400E+05  0.0000E+00
  11.904m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0212E+01  5.9275E+01  0.0000E+00 -1.1526E-01

  rolling -2.8707E+04  3.0927E+02 -4.2606E+04 -1.1191E+04 -3.8873E+04  2.0143E+03  2.9277E+03  2.5153E+03  0.0000E+00
 averages -2.8088E+04  0.0000E+00  2.5944E+04 -1.3433E+05  3.8869E+04  7.5555E+03  0.0000E+00  1.1385E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9277E+01  0.0000E+00  1.3191E-01
 ------------------------------------------------------------------------------------------------------------------------
     3030 -2.8702E+04  3.0788E+02 -4.2539E+04 -1.1244E+04 -3.8822E+04  2.0534E+03  2.9888E+03  2.4847E+03  0.0000E+00
   3.030p -2.8848E+04  0.0000E+00  2.8109E+04 -1.3366E+05  3.8818E+04  9.6174E+03  0.0000E+00  1.1334E+05  0.0000E+00
  11.942m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0212E+01  5.9275E+01  0.0000E+00 -3.0983E-02

  rolling -2.8706E+04  3.0932E+02 -4.2608E+04 -1.1193E+04 -3.8881E+04  2.0148E+03  2.9343E+03  2.5165E+03  0.0000E+00
 averages -2.8202E+04  0.0000E+00  2.6290E+04 -1.3432E+05  3.8877E+04  7.7901E+03  0.0000E+00  1.1395E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9277E+01  0.0000E+00  1.0758E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3040 -2.8702E+04  3.0931E+02 -4.2603E+04 -1.1259E+04 -3.8848E+04  2.0261E+03  2.9993E+03  2.4791E+03  0.0000E+00
   3.040p -2.8121E+04  0.0000E+00  2.6059E+04 -1.3337E+05  3.8846E+04  7.2518E+03  0.0000E+00  1.1333E+05  0.0000E+00
  11.980m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0212E+01  5.9275E+01  0.0000E+00  1.2392E-01

  rolling -2.8705E+04  3.0920E+02 -4.2602E+04 -1.1191E+04 -3.8875E+04  2.0118E+03  2.9374E+03  2.5150E+03  0.0000E+00
 averages -2.8205E+04  0.0000E+00  2.6292E+04 -1.3435E+05  3.8871E+04  7.9782E+03  0.0000E+00  1.1380E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9276E+01  0.0000E+00  1.0670E-01
 ------------------------------------------------------------------------------------------------------------------------
     3050 -2.8703E+04  3.1202E+02 -4.2726E+04 -1.1223E+04 -3.8900E+04  2.0101E+03  2.8978E+03  2.4892E+03  0.0000E+00
   3.050p -2.8493E+04  0.0000E+00  2.7416E+04 -1.3380E+05  3.8897E+04  8.9733E+03  0.0000E+00  1.1334E+05  0.0000E+00
  12.021m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9275E+01  0.0000E+00  4.4798E-02

  rolling -2.8705E+04  3.0921E+02 -4.2601E+04 -1.1198E+04 -3.8870E+04  2.0160E+03  2.9393E+03  2.5117E+03  0.0000E+00
 averages -2.8263E+04  0.0000E+00  2.6468E+04 -1.3426E+05  3.8867E+04  8.1543E+03  0.0000E+00  1.1371E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9276E+01  0.0000E+00  9.4209E-02
 ------------------------------------------------------------------------------------------------------------------------
     3060 -2.8703E+04  3.1132E+02 -4.2694E+04 -1.1198E+04 -3.8912E+04  2.0237E+03  2.8916E+03  2.5006E+03  0.0000E+00
   3.060p -2.9585E+04  0.0000E+00  3.0631E+04 -1.3409E+05  3.8908E+04  1.1177E+04  0.0000E+00  1.1464E+05  0.0000E+00
  12.059m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0214E+01  5.9275E+01  0.0000E+00 -1.8831E-01

  rolling -2.8704E+04  3.0948E+02 -4.2613E+04 -1.1204E+04 -3.8869E+04  2.0182E+03  2.9347E+03  2.5070E+03  0.0000E+00
 averages -2.8337E+04  0.0000E+00  2.6716E+04 -1.3417E+05  3.8865E+04  8.3904E+03  0.0000E+00  1.1363E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9276E+01  0.0000E+00  7.8306E-02
 ------------------------------------------------------------------------------------------------------------------------
     3070 -2.8703E+04  3.0848E+02 -4.2567E+04 -1.1208E+04 -3.8852E+04  2.0137E+03  2.9445E+03  2.5342E+03  0.0000E+00
   3.070p -2.8963E+04  0.0000E+00  2.8508E+04 -1.3390E+05  3.8847E+04  8.6190E+03  0.0000E+00  1.1494E+05  0.0000E+00
  12.097m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9275E+01  0.0000E+00 -5.5485E-02

  rolling -2.8703E+04  3.0971E+02 -4.2622E+04 -1.1214E+04 -3.8868E+04  2.0166E+03  2.9377E+03  2.5052E+03  0.0000E+00
 averages -2.8466E+04  0.0000E+00  2.7126E+04 -1.3402E+05  3.8865E+04  8.5850E+03  0.0000E+00  1.1369E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9275E+01  0.0000E+00  5.0637E-02
 ------------------------------------------------------------------------------------------------------------------------
     3080 -2.8703E+04  3.1034E+02 -4.2650E+04 -1.1219E+04 -3.8880E+04  1.9692E+03  2.9508E+03  2.5289E+03  0.0000E+00
   3.080p -2.8616E+04  0.0000E+00  2.7632E+04 -1.3369E+05  3.8876E+04  7.3899E+03  0.0000E+00  1.1506E+05  0.0000E+00
  12.135m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00  1.8631E-02

  rolling -2.8703E+04  3.0971E+02 -4.2622E+04 -1.1223E+04 -3.8861E+04  2.0167E+03  2.9401E+03  2.5053E+03  0.0000E+00
 averages -2.8533E+04  0.0000E+00  2.7326E+04 -1.3387E+05  3.8858E+04  8.6429E+03  0.0000E+00  1.1370E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9275E+01  0.0000E+00  3.6378E-02
 ------------------------------------------------------------------------------------------------------------------------
     3090 -2.8704E+04  3.1093E+02 -4.2677E+04 -1.1199E+04 -3.8929E+04  2.0286E+03  2.9033E+03  2.5188E+03  0.0000E+00
   3.090p -2.9499E+04  0.0000E+00  3.0333E+04 -1.3393E+05  3.8924E+04  1.0317E+04  0.0000E+00  1.1502E+05  0.0000E+00
  12.174m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9273E+01  0.0000E+00 -1.6964E-01

  rolling -2.8703E+04  3.0978E+02 -4.2625E+04 -1.1231E+04 -3.8861E+04  2.0153E+03  2.9458E+03  2.5052E+03  0.0000E+00
 averages -2.8647E+04  0.0000E+00  2.7677E+04 -1.3373E+05  3.8857E+04  8.7281E+03  0.0000E+00  1.1382E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9275E+01  0.0000E+00  1.1892E-02
 ------------------------------------------------------------------------------------------------------------------------
     3100 -2.8705E+04  3.1052E+02 -4.2660E+04 -1.1166E+04 -3.8878E+04  1.9972E+03  2.8943E+03  2.4924E+03  0.0000E+00
   3.100p -2.9064E+04  0.0000E+00  2.8987E+04 -1.3435E+05  3.8875E+04  1.0939E+04  0.0000E+00  1.1352E+05  0.0000E+00
  12.212m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9855E+01  9.0215E+01  5.9273E+01  0.0000E+00 -7.6530E-02

  rolling -2.8703E+04  3.1000E+02 -4.2635E+04 -1.1228E+04 -3.8866E+04  2.0091E+03  2.9454E+03  2.5037E+03  0.0000E+00
 averages -2.8760E+04  0.0000E+00  2.8035E+04 -1.3373E+05  3.8862E+04  8.9996E+03  0.0000E+00  1.1391E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9275E+01  0.0000E+00 -1.2192E-02
 ------------------------------------------------------------------------------------------------------------------------
     3110 -2.8705E+04  3.0947E+02 -4.2613E+04 -1.1183E+04 -3.8870E+04  1.9875E+03  2.9554E+03  2.4971E+03  0.0000E+00
   3.110p -2.8711E+04  0.0000E+00  2.7833E+04 -1.3409E+05  3.8865E+04  9.5592E+03  0.0000E+00  1.1350E+05  0.0000E+00
  12.252m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9273E+01  0.0000E+00 -1.1852E-03

  rolling -2.8703E+04  3.1006E+02 -4.2638E+04 -1.1221E+04 -3.8874E+04  2.0104E+03  2.9441E+03  2.5023E+03  0.0000E+00
 averages -2.8887E+04  0.0000E+00  2.8421E+04 -1.3379E+05  3.8870E+04  9.3053E+03  0.0000E+00  1.1403E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0213E+01  5.9274E+01  0.0000E+00 -3.9244E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3120 -2.8704E+04  3.0818E+02 -4.2554E+04 -1.1167E+04 -3.8852E+04  2.0507E+03  2.9259E+03  2.4882E+03  0.0000E+00
   3.120p -2.8775E+04  0.0000E+00  2.7915E+04 -1.3434E+05  3.8845E+04  1.0614E+04  0.0000E+00  1.1280E+05  0.0000E+00
  12.290m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9273E+01  0.0000E+00 -1.5237E-02

  rolling -2.8703E+04  3.0990E+02 -4.2631E+04 -1.1210E+04 -3.8876E+04  2.0136E+03  2.9397E+03  2.5017E+03  0.0000E+00
 averages -2.8888E+04  0.0000E+00  2.8409E+04 -1.3389E+05  3.8872E+04  9.4173E+03  0.0000E+00  1.1401E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00 -3.9383E-02
 ------------------------------------------------------------------------------------------------------------------------
     3130 -2.8705E+04  3.1167E+02 -4.2712E+04 -1.1198E+04 -3.8898E+04  1.9778E+03  2.9164E+03  2.4898E+03  0.0000E+00
   3.130p -2.9242E+04  0.0000E+00  2.9626E+04 -1.3393E+05  3.8891E+04  1.0693E+04  0.0000E+00  1.1397E+05  0.0000E+00
  12.331m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00 -1.1463E-01

  rolling -2.8703E+04  3.0997E+02 -4.2634E+04 -1.1202E+04 -3.8877E+04  2.0098E+03  2.9341E+03  2.5015E+03  0.0000E+00
 averages -2.8872E+04  0.0000E+00  2.8368E+04 -1.3396E+05  3.8873E+04  9.4925E+03  0.0000E+00  1.1396E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00 -3.6063E-02
 ------------------------------------------------------------------------------------------------------------------------
     3140 -2.8706E+04  3.1141E+02 -4.2702E+04 -1.1177E+04 -3.8872E+04  2.0038E+03  2.8595E+03  2.4835E+03  0.0000E+00
   3.140p -2.7948E+04  0.0000E+00  2.5718E+04 -1.3419E+05  3.8865E+04  8.3438E+03  0.0000E+00  1.1270E+05  0.0000E+00
  12.369m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00  1.6166E-01

  rolling -2.8704E+04  3.1024E+02 -4.2647E+04 -1.1196E+04 -3.8885E+04  2.0094E+03  2.9225E+03  2.5024E+03  0.0000E+00
 averages -2.8895E+04  0.0000E+00  2.8460E+04 -1.3402E+05  3.8880E+04  9.6263E+03  0.0000E+00  1.1397E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00 -4.0820E-02
 ------------------------------------------------------------------------------------------------------------------------
     3150 -2.8706E+04  3.0942E+02 -4.2612E+04 -1.1196E+04 -3.8819E+04  1.9891E+03  2.9430E+03  2.4706E+03  0.0000E+00
   3.150p -2.8800E+04  0.0000E+00  2.8094E+04 -1.3390E+05  3.8815E+04  9.0616E+03  0.0000E+00  1.1412E+05  0.0000E+00
  12.407m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9274E+01  0.0000E+00 -2.0050E-02

  rolling -2.8704E+04  3.1022E+02 -4.2646E+04 -1.1189E+04 -3.8879E+04  2.0051E+03  2.9161E+03  2.5013E+03  0.0000E+00
 averages -2.8891E+04  0.0000E+00  2.8444E+04 -1.3407E+05  3.8874E+04  9.6745E+03  0.0000E+00  1.1397E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00 -3.9820E-02
 ------------------------------------------------------------------------------------------------------------------------
     3160 -2.8707E+04  3.1142E+02 -4.2703E+04 -1.1179E+04 -3.8936E+04  2.0146E+03  2.9463E+03  2.4514E+03  0.0000E+00
   3.160p -2.9148E+04  0.0000E+00  2.9316E+04 -1.3420E+05  3.8931E+04  1.0535E+04  0.0000E+00  1.1405E+05  0.0000E+00
  12.446m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9274E+01  0.0000E+00 -9.4185E-02

  rolling -2.8704E+04  3.1017E+02 -4.2644E+04 -1.1188E+04 -3.8877E+04  2.0023E+03  2.9214E+03  2.4981E+03  0.0000E+00
 averages -2.8904E+04  0.0000E+00  2.8479E+04 -1.3407E+05  3.8872E+04  9.6377E+03  0.0000E+00  1.1404E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00 -4.2663E-02
 ------------------------------------------------------------------------------------------------------------------------
     3170 -2.8709E+04  3.1235E+02 -4.2746E+04 -1.1208E+04 -3.8886E+04  2.0041E+03  2.9045E+03  2.4390E+03  0.0000E+00
   3.170p -2.8352E+04  0.0000E+00  2.7005E+04 -1.3375E+05  3.8883E+04  7.3496E+03  0.0000E+00  1.1453E+05  0.0000E+00
  12.484m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0216E+01  5.9273E+01  0.0000E+00  7.6091E-02

  rolling -2.8705E+04  3.1039E+02 -4.2654E+04 -1.1187E+04 -3.8881E+04  2.0039E+03  2.9191E+03  2.4904E+03  0.0000E+00
 averages -2.8840E+04  0.0000E+00  2.8304E+04 -1.3407E+05  3.8875E+04  9.5455E+03  0.0000E+00  1.1395E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9273E+01  0.0000E+00 -2.8812E-02
 ------------------------------------------------------------------------------------------------------------------------
     3180 -2.8710E+04  3.1212E+02 -4.2737E+04 -1.1211E+04 -3.8884E+04  2.0077E+03  2.9076E+03  2.4431E+03  0.0000E+00
   3.180p -2.7774E+04  0.0000E+00  2.5246E+04 -1.3373E+05  3.8881E+04  6.3057E+03  0.0000E+00  1.1379E+05  0.0000E+00
  12.524m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9273E+01  0.0000E+00  1.9972E-01

  rolling -2.8706E+04  3.1060E+02 -4.2665E+04 -1.1187E+04 -3.8882E+04  2.0050E+03  2.9189E+03  2.4810E+03  0.0000E+00
 averages -2.8769E+04  0.0000E+00  2.8107E+04 -1.3406E+05  3.8877E+04  9.4135E+03  0.0000E+00  1.1387E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9273E+01  0.0000E+00 -1.3426E-02
 ------------------------------------------------------------------------------------------------------------------------
     3190 -2.8710E+04  3.1061E+02 -4.2669E+04 -1.1225E+04 -3.8840E+04  2.0091E+03  2.9092E+03  2.4776E+03  0.0000E+00
   3.190p -2.9275E+04  0.0000E+00  2.9614E+04 -1.3358E+05  3.8836E+04  1.0450E+04  0.0000E+00  1.1391E+05  0.0000E+00
  12.560m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9273E+01  0.0000E+00 -1.2055E-01

  rolling -2.8706E+04  3.1069E+02 -4.2669E+04 -1.1187E+04 -3.8879E+04  2.0036E+03  2.9179E+03  2.4748E+03  0.0000E+00
 averages -2.8684E+04  0.0000E+00  2.7861E+04 -1.3406E+05  3.8874E+04  9.3664E+03  0.0000E+00  1.1368E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9273E+01  0.0000E+00  4.6617E-03
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3200 -2.8711E+04  3.0868E+02 -4.2583E+04 -1.1242E+04 -3.8815E+04  2.0022E+03  2.9790E+03  2.4922E+03  0.0000E+00
   3.200p -2.9618E+04  0.0000E+00  3.0467E+04 -1.3333E+05  3.8810E+04  1.0790E+04  0.0000E+00  1.1420E+05  0.0000E+00
  12.601m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00 -1.9355E-01

  rolling -2.8707E+04  3.1050E+02 -4.2661E+04 -1.1194E+04 -3.8869E+04  2.0054E+03  2.9233E+03  2.4731E+03  0.0000E+00
 averages -2.8746E+04  0.0000E+00  2.8026E+04 -1.3396E+05  3.8864E+04  9.3952E+03  0.0000E+00  1.1373E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9273E+01  0.0000E+00 -8.3428E-03
 ------------------------------------------------------------------------------------------------------------------------
     3210 -2.8710E+04  3.1010E+02 -4.2646E+04 -1.1219E+04 -3.8897E+04  2.0120E+03  2.9548E+03  2.5033E+03  0.0000E+00
   3.210p -2.8131E+04  0.0000E+00  2.6135E+04 -1.3366E+05  3.8891E+04  7.0663E+03  0.0000E+00  1.1384E+05  0.0000E+00
  12.637m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00  1.2358E-01

  rolling -2.8707E+04  3.1048E+02 -4.2661E+04 -1.1199E+04 -3.8869E+04  2.0067E+03  2.9268E+03  2.4735E+03  0.0000E+00
 averages -2.8728E+04  0.0000E+00  2.7968E+04 -1.3390E+05  3.8864E+04  9.2508E+03  0.0000E+00  1.1375E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9274E+01  0.0000E+00 -4.3121E-03
 ------------------------------------------------------------------------------------------------------------------------
     3220 -2.8711E+04  3.1104E+02 -4.2689E+04 -1.1239E+04 -3.8923E+04  2.0081E+03  2.9635E+03  2.5018E+03  0.0000E+00
   3.220p -2.8302E+04  0.0000E+00  2.6731E+04 -1.3340E+05  3.8919E+04  7.7812E+03  0.0000E+00  1.1343E+05  0.0000E+00
  12.678m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9275E+01  0.0000E+00  8.7200E-02

  rolling -2.8708E+04  3.1070E+02 -4.2672E+04 -1.1205E+04 -3.8873E+04  2.0031E+03  2.9290E+03  2.4747E+03  0.0000E+00
 averages -2.8680E+04  0.0000E+00  2.7844E+04 -1.3382E+05  3.8868E+04  8.9487E+03  0.0000E+00  1.1385E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9274E+01  0.0000E+00  5.9128E-03
 ------------------------------------------------------------------------------------------------------------------------
     3230 -2.8712E+04  3.1222E+02 -4.2744E+04 -1.1235E+04 -3.8898E+04  1.9848E+03  2.9131E+03  2.4914E+03  0.0000E+00
   3.230p -2.8492E+04  0.0000E+00  2.7403E+04 -1.3354E+05  3.8891E+04  1.0084E+04  0.0000E+00  1.1197E+05  0.0000E+00
  12.715m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0214E+01  5.9276E+01  0.0000E+00  4.6970E-02

  rolling -2.8709E+04  3.1088E+02 -4.2680E+04 -1.1210E+04 -3.8879E+04  2.0040E+03  2.9289E+03  2.4754E+03  0.0000E+00
 averages -2.8606E+04  0.0000E+00  2.7634E+04 -1.3376E+05  3.8874E+04  8.7892E+03  0.0000E+00  1.1374E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0215E+01  5.9274E+01  0.0000E+00  2.1963E-02
 ------------------------------------------------------------------------------------------------------------------------
     3240 -2.8715E+04  3.1217E+02 -4.2744E+04 -1.1269E+04 -3.8904E+04  2.0224E+03  2.9201E+03  2.4858E+03  0.0000E+00
   3.240p -2.8523E+04  0.0000E+00  2.7483E+04 -1.3307E+05  3.8897E+04  8.1287E+03  0.0000E+00  1.1353E+05  0.0000E+00
  12.754m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0214E+01  5.9276E+01  0.0000E+00  4.0943E-02

  rolling -2.8710E+04  3.1096E+02 -4.2685E+04 -1.1218E+04 -3.8878E+04  2.0042E+03  2.9311E+03  2.4754E+03  0.0000E+00
 averages -2.8617E+04  0.0000E+00  2.7672E+04 -1.3367E+05  3.8873E+04  8.7756E+03  0.0000E+00  1.1370E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9854E+01  9.0214E+01  5.9274E+01  0.0000E+00  1.9750E-02
 ------------------------------------------------------------------------------------------------------------------------
     3250 -2.8717E+04  3.1078E+02 -4.2684E+04 -1.1266E+04 -3.8860E+04  1.9906E+03  2.9581E+03  2.4928E+03  0.0000E+00
   3.250p -2.8223E+04  0.0000E+00  2.6450E+04 -1.3312E+05  3.8855E+04  6.7938E+03  0.0000E+00  1.1392E+05  0.0000E+00
  12.792m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0213E+01  5.9276E+01  0.0000E+00  1.0553E-01

  rolling -2.8711E+04  3.1115E+02 -4.2694E+04 -1.1226E+04 -3.8884E+04  2.0045E+03  2.9345E+03  2.4766E+03  0.0000E+00
 averages -2.8623E+04  0.0000E+00  2.7704E+04 -1.3357E+05  3.8879E+04  8.6442E+03  0.0000E+00  1.1375E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0214E+01  5.9274E+01  0.0000E+00  1.8684E-02
 ------------------------------------------------------------------------------------------------------------------------
     3260 -2.8718E+04  3.1254E+02 -4.2764E+04 -1.1235E+04 -3.8954E+04  1.9825E+03  2.9412E+03  2.5016E+03  0.0000E+00
   3.260p -2.8767E+04  0.0000E+00  2.8238E+04 -1.3354E+05  3.8950E+04  8.1092E+03  0.0000E+00  1.1472E+05  0.0000E+00
  12.830m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0212E+01  5.9277E+01  0.0000E+00 -1.0350E-02

  rolling -2.8712E+04  3.1118E+02 -4.2697E+04 -1.1233E+04 -3.8885E+04  2.0047E+03  2.9363E+03  2.4804E+03  0.0000E+00
 averages -2.8560E+04  0.0000E+00  2.7514E+04 -1.3349E+05  3.8880E+04  8.3802E+03  0.0000E+00  1.1375E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9853E+01  9.0214E+01  5.9275E+01  0.0000E+00  3.2403E-02
 ------------------------------------------------------------------------------------------------------------------------
     3270 -2.8720E+04  3.1063E+02 -4.2680E+04 -1.1170E+04 -3.8963E+04  2.0309E+03  2.9080E+03  2.5144E+03  0.0000E+00
   3.270p -2.8112E+04  0.0000E+00  2.6096E+04 -1.3445E+05  3.8959E+04  7.9919E+03  0.0000E+00  1.1360E+05  0.0000E+00
  12.868m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9847E+01  9.0211E+01  5.9277E+01  0.0000E+00  1.2972E-01

  rolling -2.8713E+04  3.1117E+02 -4.2698E+04 -1.1234E+04 -3.8890E+04  2.0027E+03  2.9374E+03  2.4868E+03  0.0000E+00
 averages -2.8532E+04  0.0000E+00  2.7426E+04 -1.3350E+05  3.8886E+04  8.2959E+03  0.0000E+00  1.1374E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0214E+01  5.9275E+01  0.0000E+00  3.8589E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3280 -2.8720E+04  3.0967E+02 -4.2637E+04 -1.1169E+04 -3.8919E+04  1.9937E+03  2.9351E+03  2.5215E+03  0.0000E+00
   3.280p -2.7812E+04  0.0000E+00  2.5111E+04 -1.3451E+05  3.8914E+04  7.3793E+03  0.0000E+00  1.1332E+05  0.0000E+00
  12.909m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9847E+01  9.0211E+01  5.9277E+01  0.0000E+00  1.9368E-01

  rolling -2.8714E+04  3.1100E+02 -4.2691E+04 -1.1229E+04 -3.8896E+04  2.0044E+03  2.9354E+03  2.4949E+03  0.0000E+00
 averages -2.8525E+04  0.0000E+00  2.7388E+04 -1.3358E+05  3.8891E+04  8.4243E+03  0.0000E+00  1.1365E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9852E+01  9.0213E+01  5.9275E+01  0.0000E+00  4.0244E-02
 ------------------------------------------------------------------------------------------------------------------------
     3290 -2.8720E+04  3.1220E+02 -4.2751E+04 -1.1201E+04 -3.9026E+04  1.9634E+03  3.0196E+03  2.4933E+03  0.0000E+00
   3.290p -2.8950E+04  0.0000E+00  2.8750E+04 -1.3411E+05  3.9022E+04  9.1019E+03  0.0000E+00  1.1473E+05  0.0000E+00
  12.949m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0212E+01  5.9278E+01  0.0000E+00 -4.8986E-02

  rolling -2.8715E+04  3.1095E+02 -4.2690E+04 -1.1227E+04 -3.8906E+04  2.0016E+03  2.9422E+03  2.4996E+03  0.0000E+00
 averages -2.8531E+04  0.0000E+00  2.7398E+04 -1.3363E+05  3.8901E+04  8.3992E+03  0.0000E+00  1.1373E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9851E+01  9.0213E+01  5.9276E+01  0.0000E+00  3.9223E-02
 ------------------------------------------------------------------------------------------------------------------------
     3300 -2.8722E+04  3.1100E+02 -4.2699E+04 -1.1193E+04 -3.8994E+04  2.0234E+03  2.9972E+03  2.4683E+03  0.0000E+00
   3.300p -2.9222E+04  0.0000E+00  2.9452E+04 -1.3429E+05  3.8989E+04  9.7756E+03  0.0000E+00  1.1498E+05  0.0000E+00
  12.985m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9847E+01  9.0212E+01  5.9278E+01  0.0000E+00 -1.0658E-01

  rolling -2.8716E+04  3.1122E+02 -4.2703E+04 -1.1223E+04 -3.8927E+04  2.0002E+03  2.9487E+03  2.4985E+03  0.0000E+00
 averages -2.8476E+04  0.0000E+00  2.7253E+04 -1.3371E+05  3.8922E+04  8.2509E+03  0.0000E+00  1.1379E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0213E+01  5.9276E+01  0.0000E+00  5.1200E-02
 ------------------------------------------------------------------------------------------------------------------------
     3310 -2.8724E+04  3.1406E+02 -4.2839E+04 -1.1128E+04 -3.9075E+04  1.9863E+03  2.9200E+03  2.4582E+03  0.0000E+00
   3.310p -2.8353E+04  0.0000E+00  2.7116E+04 -1.3515E+05  3.9069E+04  7.9933E+03  0.0000E+00  1.1520E+05  0.0000E+00
  13.026m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9846E+01  9.0212E+01  5.9279E+01  0.0000E+00  7.9093E-02

  rolling -2.8717E+04  3.1150E+02 -4.2717E+04 -1.1216E+04 -3.8943E+04  1.9983E+03  2.9483E+03  2.4952E+03  0.0000E+00
 averages -2.8464E+04  0.0000E+00  2.7239E+04 -1.3384E+05  3.8937E+04  8.2584E+03  0.0000E+00  1.1388E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9850E+01  9.0212E+01  5.9277E+01  0.0000E+00  5.3983E-02
 ------------------------------------------------------------------------------------------------------------------------
     3320 -2.8726E+04  3.1223E+02 -4.2758E+04 -1.1067E+04 -3.9122E+04  2.0119E+03  2.9628E+03  2.4559E+03  0.0000E+00
   3.320p -2.8033E+04  0.0000E+00  2.5986E+04 -1.3598E+05  3.9118E+04  8.2533E+03  0.0000E+00  1.1459E+05  0.0000E+00
  13.064m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9846E+01  9.0213E+01  5.9279E+01  0.0000E+00  1.4777E-01

  rolling -2.8719E+04  3.1165E+02 -4.2725E+04 -1.1201E+04 -3.8964E+04  2.0011E+03  2.9490E+03  2.4901E+03  0.0000E+00
 averages -2.8457E+04  0.0000E+00  2.7226E+04 -1.3406E+05  3.8959E+04  8.3598E+03  0.0000E+00  1.1397E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9849E+01  9.0212E+01  5.9277E+01  0.0000E+00  5.5896E-02
 ------------------------------------------------------------------------------------------------------------------------
     3330 -2.8727E+04  3.0868E+02 -4.2599E+04 -1.1076E+04 -3.9038E+04  2.0164E+03  3.0114E+03  2.4871E+03  0.0000E+00
   3.330p -2.8320E+04  0.0000E+00  2.6525E+04 -1.3589E+05  3.9035E+04  9.7248E+03  0.0000E+00  1.1365E+05  0.0000E+00
  13.102m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9846E+01  9.0213E+01  5.9279E+01  0.0000E+00  8.6823E-02

  rolling -2.8720E+04  3.1157E+02 -4.2723E+04 -1.1185E+04 -3.8979E+04  1.9993E+03  2.9536E+03  2.4878E+03  0.0000E+00
 averages -2.8431E+04  0.0000E+00  2.7137E+04 -1.3430E+05  3.8974E+04  8.3348E+03  0.0000E+00  1.1413E+05  0.0000E+00
           3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9848E+01  9.0212E+01  5.9278E+01  0.0000E+00  6.1763E-02
 ------------------------------------------------------------------------------------------------------------------------
     3340 -2.8727E+04  3.1087E+02 -4.2698E+04 -1.1158E+04 -3.9026E+04  1.9575E+03  3.0211E+03  2.5074E+03  0.0000E+00
   3.340p -2.8073E+04  0.0000E+00  2.5980E+04 -1.3479E+05  3.9021E+04  8.4373E+03  0.0000E+00  1.1331E+05  0.0000E+00
  13.143m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0212E+01  5.9278E+01  0.0000E+00  1.3949E-01

  rolling -2.8721E+04  3.1129E+02 -4.2711E+04 -1.1172E+04 -3.8993E+04  1.9990E+03  2.9657E+03  2.4889E+03  0.0000E+00
 averages -2.8413E+04  0.0000E+00  2.7055E+04 -1.3450E+05  3.8988E+04  8.3368E+03  0.0000E+00  1.1423E+05  0.0000E+00
           3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9847E+01  9.0212E+01  5.9278E+01  0.0000E+00  6.5774E-02
 ------------------------------------------------------------------------------------------------------------------------
     3350 -2.8724E+04  3.0913E+02 -4.2617E+04 -1.1180E+04 -3.8967E+04  2.0891E+03  2.9393E+03  2.5017E+03  0.0000E+00
   3.350p -2.7623E+04  0.0000E+00  2.4482E+04 -1.3445E+05  3.8965E+04  6.7984E+03  0.0000E+00  1.1317E+05  0.0000E+00
  13.181m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0213E+01  5.9279E+01  0.0000E+00  2.3488E-01

  rolling -2.8722E+04  3.1111E+02 -4.2704E+04 -1.1161E+04 -3.9004E+04  2.0020E+03  2.9682E+03  2.4908E+03  0.0000E+00
 averages -2.8352E+04  0.0000E+00  2.6852E+04 -1.3466E+05  3.8999E+04  8.3736E+03  0.0000E+00  1.1414E+05  0.0000E+00
           3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9847E+01  9.0212E+01  5.9278E+01  0.0000E+00  7.9005E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3360 -2.8728E+04  3.1326E+02 -4.2807E+04 -1.1256E+04 -3.8926E+04  1.9303E+03  2.9535E+03  2.4909E+03  0.0000E+00
   3.360p -2.8141E+04  0.0000E+00  2.6396E+04 -1.3340E+05  3.8920E+04  6.7525E+03  0.0000E+00  1.1412E+05  0.0000E+00
  13.221m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0212E+01  5.9279E+01  0.0000E+00  1.2518E-01

  rolling -2.8723E+04  3.1125E+02 -4.2712E+04 -1.1158E+04 -3.9009E+04  2.0016E+03  2.9632E+03  2.4903E+03  0.0000E+00
 averages -2.8295E+04  0.0000E+00  2.6691E+04 -1.3471E+05  3.9004E+04  8.2775E+03  0.0000E+00  1.1412E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9846E+01  9.0212E+01  5.9278E+01  0.0000E+00  9.1432E-02
 ------------------------------------------------------------------------------------------------------------------------
     3370 -2.8729E+04  3.1113E+02 -4.2712E+04 -1.1306E+04 -3.8863E+04  2.0119E+03  2.9577E+03  2.4885E+03  0.0000E+00
   3.370p -2.8478E+04  0.0000E+00  2.7212E+04 -1.3272E+05  3.8859E+04  7.2748E+03  0.0000E+00  1.1380E+05  0.0000E+00
  13.263m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0213E+01  5.9279E+01  0.0000E+00  5.3568E-02

  rolling -2.8724E+04  3.1115E+02 -4.2708E+04 -1.1166E+04 -3.9000E+04  2.0011E+03  2.9680E+03  2.4886E+03  0.0000E+00
 averages -2.8278E+04  0.0000E+00  2.6629E+04 -1.3462E+05  3.8995E+04  8.1821E+03  0.0000E+00  1.1407E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9846E+01  9.0212E+01  5.9278E+01  0.0000E+00  9.5169E-02
 ------------------------------------------------------------------------------------------------------------------------
     3380 -2.8733E+04  3.1101E+02 -4.2710E+04 -1.1360E+04 -3.8856E+04  2.0512E+03  2.9635E+03  2.4914E+03  0.0000E+00
   3.380p -2.9005E+04  0.0000E+00  2.8770E+04 -1.3199E+05  3.8850E+04  6.4818E+03  0.0000E+00  1.1543E+05  0.0000E+00
  13.299m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0214E+01  5.9279E+01  0.0000E+00 -5.7957E-02

  rolling -2.8725E+04  3.1143E+02 -4.2722E+04 -1.1184E+04 -3.8993E+04  1.9993E+03  2.9710E+03  2.4854E+03  0.0000E+00
 averages -2.8377E+04  0.0000E+00  2.6947E+04 -1.3439E+05  3.8988E+04  8.1045E+03  0.0000E+00  1.1424E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9846E+01  9.0212E+01  5.9279E+01  0.0000E+00  7.4299E-02
 ------------------------------------------------------------------------------------------------------------------------
     3390 -2.8731E+04  3.1019E+02 -4.2672E+04 -1.1330E+04 -3.8838E+04  1.9733E+03  2.9992E+03  2.5242E+03  0.0000E+00
   3.390p -2.8314E+04  0.0000E+00  2.6631E+04 -1.3247E+05  3.8833E+04  6.4776E+03  0.0000E+00  1.1379E+05  0.0000E+00
  13.339m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0214E+01  5.9280E+01  0.0000E+00  8.8860E-02

  rolling -2.8727E+04  3.1127E+02 -4.2716E+04 -1.1200E+04 -3.8979E+04  2.0068E+03  2.9713E+03  2.4853E+03  0.0000E+00
 averages -2.8403E+04  0.0000E+00  2.7007E+04 -1.3418E+05  3.8975E+04  7.9330E+03  0.0000E+00  1.1428E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0213E+01  5.9279E+01  0.0000E+00  6.9009E-02
 ------------------------------------------------------------------------------------------------------------------------
     3400 -2.8731E+04  3.0984E+02 -4.2655E+04 -1.1325E+04 -3.8882E+04  2.0165E+03  2.9879E+03  2.5468E+03  0.0000E+00
   3.400p -2.8571E+04  0.0000E+00  2.7370E+04 -1.3249E+05  3.8879E+04  6.4521E+03  0.0000E+00  1.1453E+05  0.0000E+00
  13.374m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0214E+01  5.9280E+01  0.0000E+00  3.4079E-02

  rolling -2.8728E+04  3.1113E+02 -4.2711E+04 -1.1213E+04 -3.8964E+04  2.0038E+03  2.9708E+03  2.4916E+03  0.0000E+00
 averages -2.8318E+04  0.0000E+00  2.6736E+04 -1.3401E+05  3.8959E+04  7.6087E+03  0.0000E+00  1.1418E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0213E+01  5.9279E+01  0.0000E+00  8.7425E-02
 ------------------------------------------------------------------------------------------------------------------------
     3410 -2.8732E+04  3.1120E+02 -4.2718E+04 -1.1241E+04 -3.8861E+04  1.9667E+03  2.8989E+03  2.5183E+03  0.0000E+00
   3.410p -2.7463E+04  0.0000E+00  2.4165E+04 -1.3358E+05  3.8856E+04  5.8519E+03  0.0000E+00  1.1304E+05  0.0000E+00
  13.416m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9841E+01  9.0214E+01  5.9280E+01  0.0000E+00  2.7069E-01

  rolling -2.8728E+04  3.1098E+02 -4.2704E+04 -1.1225E+04 -3.8949E+04  2.0046E+03  2.9661E+03  2.4986E+03  0.0000E+00
 averages -2.8254E+04  0.0000E+00  2.6529E+04 -1.3384E+05  3.8944E+04  7.3346E+03  0.0000E+00  1.1410E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0213E+01  5.9279E+01  0.0000E+00  1.0114E-01
 ------------------------------------------------------------------------------------------------------------------------
     3420 -2.8731E+04  3.0889E+02 -4.2613E+04 -1.1249E+04 -3.8831E+04  1.9997E+03  2.9791E+03  2.4879E+03  0.0000E+00
   3.420p -2.8517E+04  0.0000E+00  2.7122E+04 -1.3341E+05  3.8827E+04  7.5409E+03  0.0000E+00  1.1417E+05  0.0000E+00
  13.454m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9839E+01  9.0213E+01  5.9279E+01  0.0000E+00  4.5603E-02

  rolling -2.8729E+04  3.1066E+02 -4.2691E+04 -1.1240E+04 -3.8921E+04  2.0002E+03  2.9675E+03  2.5033E+03  0.0000E+00
 averages -2.8227E+04  0.0000E+00  2.6418E+04 -1.3363E+05  3.8917E+04  7.2026E+03  0.0000E+00  1.1393E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0213E+01  5.9279E+01  0.0000E+00  1.0702E-01
 ------------------------------------------------------------------------------------------------------------------------
     3430 -2.8729E+04  3.0910E+02 -4.2621E+04 -1.1199E+04 -3.8851E+04  2.0133E+03  2.9517E+03  2.4640E+03  0.0000E+00
   3.430p -2.8653E+04  0.0000E+00  2.7556E+04 -1.3403E+05  3.8846E+04  8.7714E+03  0.0000E+00  1.1397E+05  0.0000E+00
  13.492m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9838E+01  9.0212E+01  5.9279E+01  0.0000E+00  1.6173E-02

  rolling -2.8729E+04  3.1040E+02 -4.2679E+04 -1.1256E+04 -3.8898E+04  2.0022E+03  2.9684E+03  2.5035E+03  0.0000E+00
 averages -2.8283E+04  0.0000E+00  2.6560E+04 -1.3341E+05  3.8893E+04  7.1368E+03  0.0000E+00  1.1394E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0213E+01  5.9279E+01  0.0000E+00  9.5253E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3440 -2.8729E+04  3.1040E+02 -4.2679E+04 -1.1223E+04 -3.8926E+04  2.0227E+03  2.9927E+03  2.4546E+03  0.0000E+00
   3.440p -2.8532E+04  0.0000E+00  2.7308E+04 -1.3365E+05  3.8922E+04  7.0004E+03  0.0000E+00  1.1504E+05  0.0000E+00
  13.530m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9838E+01  9.0212E+01  5.9279E+01  0.0000E+00  4.2045E-02

  rolling -2.8730E+04  3.1044E+02 -4.2681E+04 -1.1263E+04 -3.8884E+04  2.0046E+03  2.9622E+03  2.4993E+03  0.0000E+00
 averages -2.8299E+04  0.0000E+00  2.6610E+04 -1.3328E+05  3.8880E+04  7.0058E+03  0.0000E+00  1.1401E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0213E+01  5.9279E+01  0.0000E+00  9.1959E-02
 ------------------------------------------------------------------------------------------------------------------------
     3450 -2.8729E+04  3.0887E+02 -4.2611E+04 -1.1213E+04 -3.8835E+04  1.9848E+03  2.9836E+03  2.4691E+03  0.0000E+00
   3.450p -2.7820E+04  0.0000E+00  2.5033E+04 -1.3371E+05  3.8831E+04  5.9418E+03  0.0000E+00  1.1397E+05  0.0000E+00
  13.568m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9837E+01  9.0212E+01  5.9280E+01  0.0000E+00  1.9405E-01

  rolling -2.8730E+04  3.1043E+02 -4.2681E+04 -1.1270E+04 -3.8873E+04  2.0006E+03  2.9660E+03  2.4947E+03  0.0000E+00
 averages -2.8350E+04  0.0000E+00  2.6762E+04 -1.3317E+05  3.8869E+04  6.8751E+03  0.0000E+00  1.1419E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9841E+01  9.0213E+01  5.9279E+01  0.0000E+00  8.1117E-02
 ------------------------------------------------------------------------------------------------------------------------
     3460 -2.8727E+04  3.0803E+02 -4.2571E+04 -1.1200E+04 -3.8875E+04  2.0421E+03  2.9619E+03  2.5001E+03  0.0000E+00
   3.460p -2.8410E+04  0.0000E+00  2.6735E+04 -1.3388E+05  3.8871E+04  7.9182E+03  0.0000E+00  1.1383E+05  0.0000E+00
  13.608m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0212E+01  5.9280E+01  0.0000E+00  6.7642E-02

  rolling -2.8730E+04  3.0998E+02 -4.2661E+04 -1.1267E+04 -3.8862E+04  2.0044E+03  2.9695E+03  2.4939E+03  0.0000E+00
 averages -2.8353E+04  0.0000E+00  2.6730E+04 -1.3318E+05  3.8858E+04  6.9158E+03  0.0000E+00  1.1414E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9840E+01  9.0213E+01  5.9279E+01  0.0000E+00  8.0475E-02
 ------------------------------------------------------------------------------------------------------------------------
     3470 -2.8726E+04  3.0954E+02 -4.2637E+04 -1.1218E+04 -3.8925E+04  1.9997E+03  2.9927E+03  2.5135E+03  0.0000E+00
   3.470p -2.8536E+04  0.0000E+00  2.7253E+04 -1.3360E+05  3.8919E+04  7.8555E+03  0.0000E+00  1.1408E+05  0.0000E+00
  13.644m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0212E+01  5.9280E+01  0.0000E+00  4.0488E-02

  rolling -2.8730E+04  3.0982E+02 -4.2654E+04 -1.1260E+04 -3.8865E+04  2.0057E+03  2.9698E+03  2.4958E+03  0.0000E+00
 averages -2.8389E+04  0.0000E+00  2.6825E+04 -1.3324E+05  3.8861E+04  7.0081E+03  0.0000E+00  1.1420E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9840E+01  9.0213E+01  5.9280E+01  0.0000E+00  7.2738E-02
 ------------------------------------------------------------------------------------------------------------------------
     3480 -2.8726E+04  3.0913E+02 -4.2619E+04 -1.1235E+04 -3.8869E+04  2.0035E+03  2.9700E+03  2.5112E+03  0.0000E+00
   3.480p -2.7771E+04  0.0000E+00  2.4922E+04 -1.3337E+05  3.8865E+04  5.5662E+03  0.0000E+00  1.1386E+05  0.0000E+00
  13.685m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0213E+01  5.9281E+01  0.0000E+00  2.0356E-01

  rolling -2.8729E+04  3.0947E+02 -4.2638E+04 -1.1247E+04 -3.8868E+04  2.0075E+03  2.9723E+03  2.4982E+03  0.0000E+00
 averages -2.8314E+04  0.0000E+00  2.6569E+04 -1.3338E+05  3.8864E+04  6.9978E+03  0.0000E+00  1.1409E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9839E+01  9.0213E+01  5.9280E+01  0.0000E+00  8.8642E-02
 ------------------------------------------------------------------------------------------------------------------------
     3490 -2.8727E+04  3.0967E+02 -4.2644E+04 -1.1267E+04 -3.8827E+04  2.0012E+03  2.9423E+03  2.5060E+03  0.0000E+00
   3.490p -2.7979E+04  0.0000E+00  2.5591E+04 -1.3287E+05  3.8824E+04  5.4880E+03  0.0000E+00  1.1415E+05  0.0000E+00
  13.721m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0213E+01  5.9282E+01  0.0000E+00  1.5950E-01

  rolling -2.8729E+04  3.0957E+02 -4.2641E+04 -1.1239E+04 -3.8870E+04  2.0004E+03  2.9682E+03  2.4983E+03  0.0000E+00
 averages -2.8230E+04  0.0000E+00  2.6329E+04 -1.3346E+05  3.8865E+04  6.8650E+03  0.0000E+00  1.1405E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9838E+01  9.0213E+01  5.9280E+01  0.0000E+00  1.0636E-01
 ------------------------------------------------------------------------------------------------------------------------
     3500 -2.8726E+04  3.1131E+02 -4.2717E+04 -1.1253E+04 -3.8885E+04  1.9949E+03  2.9244E+03  2.5018E+03  0.0000E+00
   3.500p -2.8176E+04  0.0000E+00  2.6331E+04 -1.3305E+05  3.8881E+04  7.2605E+03  0.0000E+00  1.1324E+05  0.0000E+00
  13.761m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0214E+01  5.9282E+01  0.0000E+00  1.1738E-01

  rolling -2.8729E+04  3.0954E+02 -4.2640E+04 -1.1232E+04 -3.8867E+04  2.0056E+03  2.9595E+03  2.4945E+03  0.0000E+00
 averages -2.8199E+04  0.0000E+00  2.6235E+04 -1.3350E+05  3.8863E+04  6.8723E+03  0.0000E+00  1.1400E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9838E+01  9.0213E+01  5.9280E+01  0.0000E+00  1.1288E-01
 ------------------------------------------------------------------------------------------------------------------------
     3510 -2.8728E+04  3.0954E+02 -4.2639E+04 -1.1277E+04 -3.8825E+04  2.0300E+03  2.9244E+03  2.5093E+03  0.0000E+00
   3.510p -2.8490E+04  0.0000E+00  2.7108E+04 -1.3268E+05  3.8822E+04  6.9777E+03  0.0000E+00  1.1399E+05  0.0000E+00
  13.796m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0213E+01  5.9282E+01  0.0000E+00  5.0747E-02

  rolling -2.8728E+04  3.0958E+02 -4.2641E+04 -1.1231E+04 -3.8867E+04  2.0057E+03  2.9596E+03  2.4916E+03  0.0000E+00
 averages -2.8240E+04  0.0000E+00  2.6361E+04 -1.3348E+05  3.8863E+04  6.9946E+03  0.0000E+00  1.1398E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9837E+01  9.0212E+01  5.9280E+01  0.0000E+00  1.0422E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3520 -2.8727E+04  3.1245E+02 -4.2769E+04 -1.1292E+04 -3.8908E+04  1.9960E+03  2.9047E+03  2.5301E+03  0.0000E+00
   3.520p -2.8176E+04  0.0000E+00  2.6429E+04 -1.3248E+05  3.8903E+04  5.8703E+03  0.0000E+00  1.1413E+05  0.0000E+00
  13.838m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0212E+01  5.9282E+01  0.0000E+00  1.1767E-01

  rolling -2.8728E+04  3.0965E+02 -4.2644E+04 -1.1235E+04 -3.8867E+04  2.0086E+03  2.9561E+03  2.4936E+03  0.0000E+00
 averages -2.8278E+04  0.0000E+00  2.6484E+04 -1.3338E+05  3.8863E+04  6.9615E+03  0.0000E+00  1.1404E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0212E+01  5.9281E+01  0.0000E+00  9.5891E-02
 ------------------------------------------------------------------------------------------------------------------------
     3530 -2.8728E+04  3.1145E+02 -4.2725E+04 -1.1337E+04 -3.8876E+04  2.0053E+03  2.9396E+03  2.5433E+03  0.0000E+00
   3.530p -2.8829E+04  0.0000E+00  2.8298E+04 -1.3186E+05  3.8872E+04  5.9209E+03  0.0000E+00  1.1536E+05  0.0000E+00
  13.874m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0211E+01  5.9283E+01  0.0000E+00 -2.1612E-02

  rolling -2.8727E+04  3.1003E+02 -4.2661E+04 -1.1245E+04 -3.8876E+04  2.0100E+03  2.9505E+03  2.5000E+03  0.0000E+00
 averages -2.8267E+04  0.0000E+00  2.6485E+04 -1.3322E+05  3.8872E+04  6.7077E+03  0.0000E+00  1.1412E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0212E+01  5.9281E+01  0.0000E+00  9.8194E-02
 ------------------------------------------------------------------------------------------------------------------------
     3540 -2.8730E+04  3.0986E+02 -4.2655E+04 -1.1366E+04 -3.8759E+04  1.9910E+03  2.9098E+03  2.5685E+03  0.0000E+00
   3.540p -2.8732E+04  0.0000E+00  2.7857E+04 -1.3149E+05  3.8756E+04  5.9758E+03  0.0000E+00  1.1461E+05  0.0000E+00
  13.914m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0210E+01  5.9284E+01  0.0000E+00 -4.1684E-04

  rolling -2.8727E+04  3.1007E+02 -4.2663E+04 -1.1259E+04 -3.8865E+04  2.0046E+03  2.9476E+03  2.5098E+03  0.0000E+00
 averages -2.8283E+04  0.0000E+00  2.6537E+04 -1.3300E+05  3.8861E+04  6.4974E+03  0.0000E+00  1.1417E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0212E+01  5.9281E+01  0.0000E+00  9.4744E-02
 ------------------------------------------------------------------------------------------------------------------------
     3550 -2.8729E+04  3.0958E+02 -4.2642E+04 -1.1389E+04 -3.8763E+04  2.0136E+03  2.9278E+03  2.5686E+03  0.0000E+00
   3.550p -2.9096E+04  0.0000E+00  2.8927E+04 -1.3118E+05  3.8763E+04  7.0687E+03  0.0000E+00  1.1427E+05  0.0000E+00
  13.953m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0209E+01  5.9285E+01  0.0000E+00 -7.8263E-02

  rolling -2.8727E+04  3.0996E+02 -4.2658E+04 -1.1274E+04 -3.8854E+04  2.0066E+03  2.9431E+03  2.5212E+03  0.0000E+00
 averages -2.8346E+04  0.0000E+00  2.6715E+04 -1.3277E+05  3.8850E+04  6.5337E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0212E+01  5.9282E+01  0.0000E+00  8.1407E-02
 ------------------------------------------------------------------------------------------------------------------------
     3560 -2.8729E+04  3.0894E+02 -4.2613E+04 -1.1355E+04 -3.8715E+04  1.9948E+03  2.9380E+03  2.5244E+03  0.0000E+00
   3.560p -2.9061E+04  0.0000E+00  2.8767E+04 -1.3163E+05  3.8715E+04  8.3711E+03  0.0000E+00  1.1331E+05  0.0000E+00
  13.991m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0210E+01  5.9286E+01  0.0000E+00 -7.0955E-02

  rolling -2.8727E+04  3.1005E+02 -4.2662E+04 -1.1292E+04 -3.8844E+04  2.0058E+03  2.9410E+03  2.5271E+03  0.0000E+00
 averages -2.8465E+04  0.0000E+00  2.7080E+04 -1.3252E+05  3.8840E+04  6.6285E+03  0.0000E+00  1.1413E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0212E+01  5.9282E+01  0.0000E+00  5.6061E-02
 ------------------------------------------------------------------------------------------------------------------------
     3570 -2.8727E+04  3.1084E+02 -4.2697E+04 -1.1325E+04 -3.8825E+04  2.0363E+03  2.9081E+03  2.5083E+03  0.0000E+00
   3.570p -2.8779E+04  0.0000E+00  2.8094E+04 -1.3199E+05  3.8822E+04  7.9175E+03  0.0000E+00  1.1334E+05  0.0000E+00
  14.032m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0210E+01  5.9286E+01  0.0000E+00 -1.0972E-02

  rolling -2.8727E+04  3.1008E+02 -4.2663E+04 -1.1304E+04 -3.8828E+04  2.0049E+03  2.9362E+03  2.5275E+03  0.0000E+00
 averages -2.8475E+04  0.0000E+00  2.7114E+04 -1.3234E+05  3.8825E+04  6.6315E+03  0.0000E+00  1.1400E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0212E+01  5.9283E+01  0.0000E+00  5.3866E-02
 ------------------------------------------------------------------------------------------------------------------------
     3580 -2.8730E+04  3.1268E+02 -4.2782E+04 -1.1331E+04 -3.8836E+04  1.9706E+03  2.9180E+03  2.4963E+03  0.0000E+00
   3.580p -2.8882E+04  0.0000E+00  2.8561E+04 -1.3188E+05  3.8833E+04  7.9543E+03  0.0000E+00  1.1366E+05  0.0000E+00
  14.067m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9831E+01  9.0209E+01  5.9286E+01  0.0000E+00 -3.2434E-02

  rolling -2.8728E+04  3.1044E+02 -4.2679E+04 -1.1315E+04 -3.8824E+04  2.0033E+03  2.9300E+03  2.5263E+03  0.0000E+00
 averages -2.8552E+04  0.0000E+00  2.7375E+04 -1.3218E+05  3.8821E+04  6.7399E+03  0.0000E+00  1.1399E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0211E+01  5.9284E+01  0.0000E+00  3.7574E-02
 ------------------------------------------------------------------------------------------------------------------------
     3590 -2.8730E+04  3.0847E+02 -4.2593E+04 -1.1351E+04 -3.8774E+04  2.0342E+03  2.9893E+03  2.5080E+03  0.0000E+00
   3.590p -2.9686E+04  0.0000E+00  3.0595E+04 -1.3166E+05  3.8769E+04  1.0308E+04  0.0000E+00  1.1318E+05  0.0000E+00
  14.109m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0210E+01  5.9286E+01  0.0000E+00 -2.0392E-01

  rolling -2.8728E+04  3.1043E+02 -4.2679E+04 -1.1323E+04 -3.8818E+04  2.0079E+03  2.9279E+03  2.5256E+03  0.0000E+00
 averages -2.8702E+04  0.0000E+00  2.7823E+04 -1.3205E+05  3.8815E+04  7.1508E+03  0.0000E+00  1.1391E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0211E+01  5.9284E+01  0.0000E+00  5.6549E-03
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3600 -2.8731E+04  3.0863E+02 -4.2601E+04 -1.1356E+04 -3.8747E+04  2.0009E+03  2.9853E+03  2.5159E+03  0.0000E+00
   3.600p -2.9685E+04  0.0000E+00  3.0603E+04 -1.3160E+05  3.8745E+04  1.0250E+04  0.0000E+00  1.1320E+05  0.0000E+00
  14.144m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9831E+01  9.0211E+01  5.9285E+01  0.0000E+00 -2.0345E-01

  rolling -2.8728E+04  3.1037E+02 -4.2677E+04 -1.1332E+04 -3.8810E+04  2.0045E+03  2.9349E+03  2.5266E+03  0.0000E+00
 averages -2.8869E+04  0.0000E+00  2.8319E+04 -1.3192E+05  3.8807E+04  7.5440E+03  0.0000E+00  1.1389E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0211E+01  5.9284E+01  0.0000E+00 -3.0026E-02
 ------------------------------------------------------------------------------------------------------------------------
     3610 -2.8729E+04  3.0966E+02 -4.2646E+04 -1.1328E+04 -3.8778E+04  1.9790E+03  2.9506E+03  2.5299E+03  0.0000E+00
   3.610p -2.8869E+04  0.0000E+00  2.8254E+04 -1.3200E+05  3.8774E+04  8.2587E+03  0.0000E+00  1.1322E+05  0.0000E+00
  14.184m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9831E+01  9.0212E+01  5.9285E+01  0.0000E+00 -2.9846E-02

  rolling -2.8729E+04  3.1007E+02 -4.2664E+04 -1.1340E+04 -3.8798E+04  2.0055E+03  2.9400E+03  2.5284E+03  0.0000E+00
 averages -2.8947E+04  0.0000E+00  2.8524E+04 -1.3182E+05  3.8795E+04  7.7351E+03  0.0000E+00  1.1382E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0211E+01  5.9285E+01  0.0000E+00 -4.6474E-02
 ------------------------------------------------------------------------------------------------------------------------
     3620 -2.8728E+04  3.0969E+02 -4.2646E+04 -1.1302E+04 -3.8824E+04  2.0600E+03  2.8948E+03  2.5252E+03  0.0000E+00
   3.620p -2.9238E+04  0.0000E+00  2.9366E+04 -1.3232E+05  3.8822E+04  8.5688E+03  0.0000E+00  1.1430E+05  0.0000E+00
  14.220m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0214E+01  5.9285E+01  0.0000E+00 -1.0878E-01

  rolling -2.8729E+04  3.1008E+02 -4.2664E+04 -1.1343E+04 -3.8796E+04  2.0067E+03  2.9383E+03  2.5294E+03  0.0000E+00
 averages -2.9026E+04  0.0000E+00  2.8764E+04 -1.3177E+05  3.8793E+04  7.9243E+03  0.0000E+00  1.1382E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0211E+01  5.9285E+01  0.0000E+00 -6.3474E-02
 ------------------------------------------------------------------------------------------------------------------------
     3630 -2.8728E+04  3.0888E+02 -4.2610E+04 -1.1298E+04 -3.8726E+04  1.9823E+03  2.9164E+03  2.5153E+03  0.0000E+00
   3.630p -2.9504E+04  0.0000E+00  3.0091E+04 -1.3238E+05  3.8724E+04  9.4245E+03  0.0000E+00  1.1432E+05  0.0000E+00
  14.261m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0215E+01  5.9285E+01  0.0000E+00 -1.6547E-01

  rolling -2.8729E+04  3.0976E+02 -4.2650E+04 -1.1341E+04 -3.8780E+04  2.0050E+03  2.9375E+03  2.5274E+03  0.0000E+00
 averages -2.9107E+04  0.0000E+00  2.8977E+04 -1.3180E+05  3.8777E+04  8.2482E+03  0.0000E+00  1.1376E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0211E+01  5.9285E+01  0.0000E+00 -8.0637E-02
 ------------------------------------------------------------------------------------------------------------------------
     3640 -2.8727E+04  3.1017E+02 -4.2666E+04 -1.1302E+04 -3.8839E+04  1.9911E+03  2.9551E+03  2.5281E+03  0.0000E+00
   3.640p -2.9369E+04  0.0000E+00  2.9807E+04 -1.3236E+05  3.8839E+04  8.6721E+03  0.0000E+00  1.1465E+05  0.0000E+00
  14.299m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0216E+01  5.9285E+01  0.0000E+00 -1.3703E-01

  rolling -2.8729E+04  3.0959E+02 -4.2642E+04 -1.1336E+04 -3.8778E+04  2.0082E+03  2.9391E+03  2.5240E+03  0.0000E+00
 averages -2.9183E+04  0.0000E+00  2.9191E+04 -1.3187E+05  3.8776E+04  8.5729E+03  0.0000E+00  1.1372E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0211E+01  5.9285E+01  0.0000E+00 -9.6947E-02
 ------------------------------------------------------------------------------------------------------------------------
     3650 -2.8728E+04  3.1004E+02 -4.2662E+04 -1.1302E+04 -3.8832E+04  2.0057E+03  2.9186E+03  2.5480E+03  0.0000E+00
   3.650p -2.9131E+04  0.0000E+00  2.9077E+04 -1.3238E+05  3.8833E+04  8.6837E+03  0.0000E+00  1.1394E+05  0.0000E+00
  14.337m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0217E+01  5.9285E+01  0.0000E+00 -8.6014E-02

  rolling -2.8729E+04  3.0979E+02 -4.2651E+04 -1.1328E+04 -3.8786E+04  2.0061E+03  2.9367E+03  2.5204E+03  0.0000E+00
 averages -2.9222E+04  0.0000E+00  2.9324E+04 -1.3197E+05  3.8784E+04  8.7733E+03  0.0000E+00  1.1374E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0212E+01  5.9286E+01  0.0000E+00 -1.0514E-01
 ------------------------------------------------------------------------------------------------------------------------
     3660 -2.8727E+04  3.0874E+02 -4.2603E+04 -1.1243E+04 -3.8892E+04  2.0148E+03  2.9746E+03  2.5433E+03  0.0000E+00
   3.660p -2.9271E+04  0.0000E+00  2.9383E+04 -1.3323E+05  3.8892E+04  9.6898E+03  0.0000E+00  1.1403E+05  0.0000E+00
  14.375m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0217E+01  5.9285E+01  0.0000E+00 -1.1602E-01

  rolling -2.8729E+04  3.0980E+02 -4.2651E+04 -1.1318E+04 -3.8798E+04  2.0050E+03  2.9391E+03  2.5209E+03  0.0000E+00
 averages -2.9229E+04  0.0000E+00  2.9347E+04 -1.3212E+05  3.8796E+04  8.9142E+03  0.0000E+00  1.1375E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0213E+01  5.9285E+01  0.0000E+00 -1.0673E-01
 ------------------------------------------------------------------------------------------------------------------------
     3670 -2.8726E+04  3.0877E+02 -4.2603E+04 -1.1199E+04 -3.8875E+04  2.0028E+03  2.9623E+03  2.5050E+03  0.0000E+00
   3.670p -2.8422E+04  0.0000E+00  2.6840E+04 -1.3382E+05  3.8872E+04  8.3129E+03  0.0000E+00  1.1347E+05  0.0000E+00
  14.414m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0218E+01  5.9285E+01  0.0000E+00  6.4973E-02

  rolling -2.8728E+04  3.0970E+02 -4.2647E+04 -1.1306E+04 -3.8812E+04  2.0068E+03  2.9427E+03  2.5218E+03  0.0000E+00
 averages -2.9234E+04  0.0000E+00  2.9355E+04 -1.3229E+05  3.8810E+04  9.0045E+03  0.0000E+00  1.1383E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0214E+01  5.9285E+01  0.0000E+00 -1.0790E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3680 -2.8725E+04  3.1059E+02 -4.2684E+04 -1.1191E+04 -3.8920E+04  2.0210E+03  2.9369E+03  2.4698E+03  0.0000E+00
   3.680p -2.7957E+04  0.0000E+00  2.5614E+04 -1.3392E+05  3.8917E+04  7.3426E+03  0.0000E+00  1.1327E+05  0.0000E+00
  14.451m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0219E+01  5.9285E+01  0.0000E+00  1.6372E-01

  rolling -2.8728E+04  3.0933E+02 -4.2630E+04 -1.1293E+04 -3.8814E+04  2.0079E+03  2.9488E+03  2.5203E+03  0.0000E+00
 averages -2.9162E+04  0.0000E+00  2.9104E+04 -1.3248E+05  3.8812E+04  8.9925E+03  0.0000E+00  1.1378E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0214E+01  5.9285E+01  0.0000E+00 -9.2449E-02
 ------------------------------------------------------------------------------------------------------------------------
     3690 -2.8727E+04  3.1163E+02 -4.2732E+04 -1.1186E+04 -3.8944E+04  2.0356E+03  2.9094E+03  2.4535E+03  0.0000E+00
   3.690p -2.8630E+04  0.0000E+00  2.7721E+04 -1.3398E+05  3.8943E+04  9.1513E+03  0.0000E+00  1.1360E+05  0.0000E+00
  14.489m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0218E+01  5.9285E+01  0.0000E+00  2.0603E-02

  rolling -2.8728E+04  3.0951E+02 -4.2638E+04 -1.1276E+04 -3.8832E+04  2.0064E+03  2.9478E+03  2.5159E+03  0.0000E+00
 averages -2.9039E+04  0.0000E+00  2.8755E+04 -1.3272E+05  3.8830E+04  8.8749E+03  0.0000E+00  1.1377E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9285E+01  0.0000E+00 -6.6457E-02
 ------------------------------------------------------------------------------------------------------------------------
     3700 -2.8726E+04  3.0883E+02 -4.2605E+04 -1.1224E+04 -3.8815E+04  1.9780E+03  2.9697E+03  2.4850E+03  0.0000E+00
   3.700p -2.9339E+04  0.0000E+00  2.9598E+04 -1.3352E+05  3.8814E+04  9.9511E+03  0.0000E+00  1.1435E+05  0.0000E+00
  14.527m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0219E+01  5.9285E+01  0.0000E+00 -1.3077E-01

  rolling -2.8727E+04  3.0954E+02 -4.2638E+04 -1.1262E+04 -3.8841E+04  2.0111E+03  2.9417E+03  2.5114E+03  0.0000E+00
 averages -2.8986E+04  0.0000E+00  2.8598E+04 -1.3293E+05  3.8840E+04  8.8213E+03  0.0000E+00  1.1387E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0216E+01  5.9285E+01  0.0000E+00 -5.5185E-02
 ------------------------------------------------------------------------------------------------------------------------
     3710 -2.8724E+04  3.0639E+02 -4.2494E+04 -1.1233E+04 -3.8834E+04  2.0126E+03  3.0238E+03  2.5371E+03  0.0000E+00
   3.710p -2.8778E+04  0.0000E+00  2.7702E+04 -1.3334E+05  3.8832E+04  7.4434E+03  0.0000E+00  1.1476E+05  0.0000E+00
  14.566m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0218E+01  5.9285E+01  0.0000E+00 -1.1508E-02

  rolling -2.8727E+04  3.0949E+02 -4.2636E+04 -1.1251E+04 -3.8849E+04  2.0084E+03  2.9446E+03  2.5104E+03  0.0000E+00
 averages -2.8970E+04  0.0000E+00  2.8548E+04 -1.3308E+05  3.8847E+04  8.7731E+03  0.0000E+00  1.1401E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0217E+01  5.9285E+01  0.0000E+00 -5.1873E-02
 ------------------------------------------------------------------------------------------------------------------------
     3720 -2.8721E+04  3.0685E+02 -4.2512E+04 -1.1210E+04 -3.8842E+04  1.9887E+03  2.9684E+03  2.5826E+03  0.0000E+00
   3.720p -2.8558E+04  0.0000E+00  2.7090E+04 -1.3359E+05  3.8840E+04  6.8622E+03  0.0000E+00  1.1498E+05  0.0000E+00
  14.604m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0217E+01  5.9284E+01  0.0000E+00  3.4924E-02

  rolling -2.8726E+04  3.0917E+02 -4.2621E+04 -1.1242E+04 -3.8850E+04  2.0044E+03  2.9529E+03  2.5138E+03  0.0000E+00
 averages -2.8924E+04  0.0000E+00  2.8383E+04 -1.3321E+05  3.8849E+04  8.6163E+03  0.0000E+00  1.1413E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0217E+01  5.9285E+01  0.0000E+00 -4.2194E-02
 ------------------------------------------------------------------------------------------------------------------------
     3730 -2.8718E+04  3.0596E+02 -4.2468E+04 -1.1157E+04 -3.8884E+04  2.0093E+03  2.9696E+03  2.5940E+03  0.0000E+00
   3.730p -2.9071E+04  0.0000E+00  2.8558E+04 -1.3432E+05  3.8883E+04  1.0556E+04  0.0000E+00  1.1344E+05  0.0000E+00
  14.642m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0217E+01  5.9285E+01  0.0000E+00 -7.5212E-02

  rolling -2.8726E+04  3.0885E+02 -4.2606E+04 -1.1231E+04 -3.8860E+04  2.0072E+03  2.9570E+03  2.5211E+03  0.0000E+00
 averages -2.8873E+04  0.0000E+00  2.8202E+04 -1.3336E+05  3.8859E+04  8.5945E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0217E+01  5.9285E+01  0.0000E+00 -3.1378E-02
 ------------------------------------------------------------------------------------------------------------------------
     3740 -2.8715E+04  3.0580E+02 -4.2458E+04 -1.1172E+04 -3.8849E+04  2.0322E+03  2.9535E+03  2.5764E+03  0.0000E+00
   3.740p -2.9166E+04  0.0000E+00  2.8840E+04 -1.3408E+05  3.8848E+04  1.0996E+04  0.0000E+00  1.1307E+05  0.0000E+00
  14.679m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0216E+01  5.9285E+01  0.0000E+00 -9.6211E-02

  rolling -2.8724E+04  3.0863E+02 -4.2595E+04 -1.1217E+04 -3.8870E+04  2.0065E+03  2.9576E+03  2.5277E+03  0.0000E+00
 averages -2.8844E+04  0.0000E+00  2.8099E+04 -1.3355E+05  3.8868E+04  8.8019E+03  0.0000E+00  1.1398E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0217E+01  5.9285E+01  0.0000E+00 -2.5513E-02
 ------------------------------------------------------------------------------------------------------------------------
     3750 -2.8713E+04  3.0951E+02 -4.2623E+04 -1.1264E+04 -3.8845E+04  2.0110E+03  2.9559E+03  2.5184E+03  0.0000E+00
   3.750p -2.8461E+04  0.0000E+00  2.7062E+04 -1.3281E+05  3.8843E+04  8.1703E+03  0.0000E+00  1.1286E+05  0.0000E+00
  14.718m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0215E+01  5.9285E+01  0.0000E+00  5.3850E-02

  rolling -2.8723E+04  3.0832E+02 -4.2580E+04 -1.1208E+04 -3.8869E+04  2.0101E+03  2.9594E+03  2.5284E+03  0.0000E+00
 averages -2.8801E+04  0.0000E+00  2.7946E+04 -1.3366E+05  3.8868E+04  8.8935E+03  0.0000E+00  1.1384E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0217E+01  5.9285E+01  0.0000E+00 -1.6574E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3760 -2.8713E+04  3.0949E+02 -4.2622E+04 -1.1317E+04 -3.8781E+04  2.0310E+03  2.9500E+03  2.4956E+03  0.0000E+00
   3.760p -2.9006E+04  0.0000E+00  2.8695E+04 -1.3203E+05  3.8781E+04  9.0596E+03  0.0000E+00  1.1289E+05  0.0000E+00
  14.756m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0214E+01  5.9286E+01  0.0000E+00 -6.2386E-02

  rolling -2.8722E+04  3.0838E+02 -4.2581E+04 -1.1212E+04 -3.8865E+04  2.0133E+03  2.9595E+03  2.5237E+03  0.0000E+00
 averages -2.8746E+04  0.0000E+00  2.7791E+04 -1.3360E+05  3.8864E+04  8.7931E+03  0.0000E+00  1.1373E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0217E+01  5.9285E+01  0.0000E+00 -5.1789E-03
 ------------------------------------------------------------------------------------------------------------------------
     3770 -2.8713E+04  3.0959E+02 -4.2627E+04 -1.1332E+04 -3.8742E+04  2.0124E+03  2.9356E+03  2.4993E+03  0.0000E+00
   3.770p -2.9420E+04  0.0000E+00  2.9948E+04 -1.3181E+05  3.8740E+04  1.1146E+04  0.0000E+00  1.1188E+05  0.0000E+00
  14.795m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0213E+01  5.9287E+01  0.0000E+00 -1.5077E-01

  rolling -2.8720E+04  3.0845E+02 -4.2583E+04 -1.1222E+04 -3.8850E+04  2.0118E+03  2.9573E+03  2.5210E+03  0.0000E+00
 averages -2.8783E+04  0.0000E+00  2.7915E+04 -1.3343E+05  3.8849E+04  8.9175E+03  0.0000E+00  1.1358E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0217E+01  5.9285E+01  0.0000E+00 -1.3486E-02
 ------------------------------------------------------------------------------------------------------------------------
     3780 -2.8713E+04  3.1093E+02 -4.2687E+04 -1.1384E+04 -3.8790E+04  1.9810E+03  2.9824E+03  2.5227E+03  0.0000E+00
   3.780p -2.9334E+04  0.0000E+00  2.9810E+04 -1.3112E+05  3.8787E+04  9.7472E+03  0.0000E+00  1.1240E+05  0.0000E+00
  14.832m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0213E+01  5.9287E+01  0.0000E+00 -1.3241E-01

  rolling -2.8719E+04  3.0860E+02 -4.2588E+04 -1.1239E+04 -3.8840E+04  2.0102E+03  2.9575E+03  2.5236E+03  0.0000E+00
 averages -2.8916E+04  0.0000E+00  2.8329E+04 -1.3318E+05  3.8838E+04  9.2208E+03  0.0000E+00  1.1345E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0216E+01  5.9285E+01  0.0000E+00 -4.1969E-02
 ------------------------------------------------------------------------------------------------------------------------
     3790 -2.8713E+04  3.0901E+02 -4.2601E+04 -1.1354E+04 -3.8761E+04  2.0230E+03  2.9580E+03  2.5333E+03  0.0000E+00
   3.790p -2.9366E+04  0.0000E+00  2.9734E+04 -1.3154E+05  3.8758E+04  8.5415E+03  0.0000E+00  1.1397E+05  0.0000E+00
  14.871m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0212E+01  5.9288E+01  0.0000E+00 -1.3929E-01

  rolling -2.8718E+04  3.0840E+02 -4.2578E+04 -1.1259E+04 -3.8821E+04  2.0098E+03  2.9615E+03  2.5309E+03  0.0000E+00
 averages -2.9035E+04  0.0000E+00  2.8671E+04 -1.3290E+05  3.8819E+04  9.2999E+03  0.0000E+00  1.1345E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0215E+01  5.9286E+01  0.0000E+00 -6.7589E-02
 ------------------------------------------------------------------------------------------------------------------------
     3800 -2.8713E+04  3.0788E+02 -4.2549E+04 -1.1309E+04 -3.8799E+04  2.0267E+03  3.0092E+03  2.5228E+03  0.0000E+00
   3.800p -2.9004E+04  0.0000E+00  2.8547E+04 -1.3217E+05  3.8798E+04  8.1963E+03  0.0000E+00  1.1373E+05  0.0000E+00
  14.909m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0213E+01  5.9287E+01  0.0000E+00 -6.2101E-02

  rolling -2.8716E+04  3.0826E+02 -4.2570E+04 -1.1271E+04 -3.8813E+04  2.0098E+03  2.9667E+03  2.5371E+03  0.0000E+00
 averages -2.9034E+04  0.0000E+00  2.8661E+04 -1.3273E+05  3.8811E+04  9.1499E+03  0.0000E+00  1.1343E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0215E+01  5.9286E+01  0.0000E+00 -6.7787E-02
 ------------------------------------------------------------------------------------------------------------------------
     3810 -2.8711E+04  3.0857E+02 -4.2578E+04 -1.1290E+04 -3.8751E+04  2.0024E+03  2.9731E+03  2.4879E+03  0.0000E+00
   3.810p -2.8010E+04  0.0000E+00  2.5633E+04 -1.3241E+05  3.8747E+04  5.4533E+03  0.0000E+00  1.1384E+05  0.0000E+00
  14.949m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0213E+01  5.9287E+01  0.0000E+00  1.4950E-01

  rolling -2.8715E+04  3.0832E+02 -4.2572E+04 -1.1277E+04 -3.8808E+04  2.0106E+03  2.9670E+03  2.5362E+03  0.0000E+00
 averages -2.8977E+04  0.0000E+00  2.8499E+04 -1.3261E+05  3.8806E+04  8.9631E+03  0.0000E+00  1.1335E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0214E+01  5.9286E+01  0.0000E+00 -5.5893E-02
 ------------------------------------------------------------------------------------------------------------------------
     3820 -2.8712E+04  3.1193E+02 -4.2730E+04 -1.1245E+04 -3.8815E+04  2.0000E+03  2.8626E+03  2.4670E+03  0.0000E+00
   3.820p -2.7414E+04  0.0000E+00  2.4145E+04 -1.3300E+05  3.8814E+04  3.7505E+03  0.0000E+00  1.1458E+05  0.0000E+00
  14.985m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0214E+01  5.9287E+01  0.0000E+00  2.7670E-01

  rolling -2.8714E+04  3.0863E+02 -4.2584E+04 -1.1282E+04 -3.8803E+04  2.0147E+03  2.9585E+03  2.5272E+03  0.0000E+00
 averages -2.8887E+04  0.0000E+00  2.8259E+04 -1.3254E+05  3.8801E+04  8.7220E+03  0.0000E+00  1.1328E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0214E+01  5.9286E+01  0.0000E+00 -3.6834E-02
 ------------------------------------------------------------------------------------------------------------------------
     3830 -2.8711E+04  3.1066E+02 -4.2673E+04 -1.1199E+04 -3.8872E+04  2.0096E+03  2.9168E+03  2.4716E+03  0.0000E+00
   3.830p -2.7933E+04  0.0000E+00  2.5589E+04 -1.3361E+05  3.8869E+04  5.6625E+03  0.0000E+00  1.1466E+05  0.0000E+00
  15.026m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0215E+01  5.9286E+01  0.0000E+00  1.6594E-01

  rolling -2.8713E+04  3.0915E+02 -4.2607E+04 -1.1284E+04 -3.8800E+04  2.0117E+03  2.9513E+03  2.5148E+03  0.0000E+00
 averages -2.8758E+04  0.0000E+00  2.7922E+04 -1.3250E+05  3.8798E+04  8.3020E+03  0.0000E+00  1.1332E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0214E+01  5.9286E+01  0.0000E+00 -9.6100E-03
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3840 -2.8714E+04  3.1107E+02 -4.2694E+04 -1.1210E+04 -3.8904E+04  1.9855E+03  2.9263E+03  2.5077E+03  0.0000E+00
   3.840p -2.7852E+04  0.0000E+00  2.5374E+04 -1.3345E+05  3.8898E+04  4.9867E+03  0.0000E+00  1.1494E+05  0.0000E+00
  15.064m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0215E+01  5.9285E+01  0.0000E+00  1.8383E-01

  rolling -2.8713E+04  3.0965E+02 -4.2629E+04 -1.1289E+04 -3.8804E+04  2.0097E+03  2.9489E+03  2.5051E+03  0.0000E+00
 averages -2.8640E+04  0.0000E+00  2.7615E+04 -1.3242E+05  3.8801E+04  7.7453E+03  0.0000E+00  1.1349E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0214E+01  5.9286E+01  0.0000E+00  1.5443E-02
 ------------------------------------------------------------------------------------------------------------------------
     3850 -2.8711E+04  3.0875E+02 -4.2587E+04 -1.1242E+04 -3.8845E+04  2.0101E+03  2.9559E+03  2.5343E+03  0.0000E+00
   3.850p -2.6847E+04  0.0000E+00  2.2158E+04 -1.3306E+05  3.8841E+04  2.2884E+03  0.0000E+00  1.1408E+05  0.0000E+00
  15.104m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0214E+01  5.9285E+01  0.0000E+00  3.9765E-01

  rolling -2.8712E+04  3.0972E+02 -4.2632E+04 -1.1289E+04 -3.8806E+04  2.0101E+03  2.9500E+03  2.5029E+03  0.0000E+00
 averages -2.8487E+04  0.0000E+00  2.7162E+04 -1.3241E+05  3.8803E+04  7.1467E+03  0.0000E+00  1.1362E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0214E+01  5.9286E+01  0.0000E+00  4.8151E-02
 ------------------------------------------------------------------------------------------------------------------------
     3860 -2.8709E+04  3.0688E+02 -4.2501E+04 -1.1239E+04 -3.8775E+04  2.0170E+03  2.9461E+03  2.5499E+03  0.0000E+00
   3.860p -2.7194E+04  0.0000E+00  2.3040E+04 -1.3307E+05  3.8770E+04  4.3229E+03  0.0000E+00  1.1301E+05  0.0000E+00
  15.142m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0215E+01  5.9285E+01  0.0000E+00  3.2300E-01

  rolling -2.8712E+04  3.0964E+02 -4.2628E+04 -1.1283E+04 -3.8806E+04  2.0054E+03  2.9482E+03  2.5073E+03  0.0000E+00
 averages -2.8307E+04  0.0000E+00  2.6618E+04 -1.3249E+05  3.8803E+04  6.6064E+03  0.0000E+00  1.1370E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0214E+01  5.9286E+01  0.0000E+00  8.6289E-02
 ------------------------------------------------------------------------------------------------------------------------
     3870 -2.8707E+04  3.0883E+02 -4.2587E+04 -1.1228E+04 -3.8805E+04  1.9934E+03  2.9261E+03  2.5268E+03  0.0000E+00
   3.870p -2.8365E+04  0.0000E+00  2.6732E+04 -1.3320E+05  3.8802E+04  7.4082E+03  0.0000E+00  1.1373E+05  0.0000E+00
  15.183m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9285E+01  0.0000E+00  7.2992E-02

  rolling -2.8711E+04  3.0938E+02 -4.2616E+04 -1.1274E+04 -3.8807E+04  2.0059E+03  2.9477E+03  2.5115E+03  0.0000E+00
 averages -2.8169E+04  0.0000E+00  2.6181E+04 -1.3261E+05  3.8804E+04  6.2007E+03  0.0000E+00  1.1379E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0214E+01  5.9286E+01  0.0000E+00  1.1571E-01
 ------------------------------------------------------------------------------------------------------------------------
     3880 -2.8709E+04  3.1136E+02 -4.2702E+04 -1.1228E+04 -3.8924E+04  1.9843E+03  2.9559E+03  2.5092E+03  0.0000E+00
   3.880p -2.8181E+04  0.0000E+00  2.6402E+04 -1.3325E+05  3.8920E+04  6.2366E+03  0.0000E+00  1.1450E+05  0.0000E+00
  15.218m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9285E+01  0.0000E+00  1.1261E-01

  rolling -2.8711E+04  3.0938E+02 -4.2615E+04 -1.1260E+04 -3.8819E+04  2.0066E+03  2.9457E+03  2.5120E+03  0.0000E+00
 averages -2.8069E+04  0.0000E+00  2.5883E+04 -1.3279E+05  3.8816E+04  5.8452E+03  0.0000E+00  1.1402E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0214E+01  5.9286E+01  0.0000E+00  1.3692E-01
 ------------------------------------------------------------------------------------------------------------------------
     3890 -2.8707E+04  3.1011E+02 -4.2644E+04 -1.1229E+04 -3.8834E+04  2.0104E+03  2.9135E+03  2.4950E+03  0.0000E+00
   3.890p -2.7875E+04  0.0000E+00  2.5379E+04 -1.3324E+05  3.8832E+04  5.2474E+03  0.0000E+00  1.1454E+05  0.0000E+00
  15.259m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0216E+01  5.9285E+01  0.0000E+00  1.7739E-01

  rolling -2.8710E+04  3.0950E+02 -4.2620E+04 -1.1246E+04 -3.8829E+04  2.0033E+03  2.9427E+03  2.5089E+03  0.0000E+00
 averages -2.7929E+04  0.0000E+00  2.5476E+04 -1.3299E+05  3.8826E+04  5.4959E+03  0.0000E+00  1.1415E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0214E+01  5.9286E+01  0.0000E+00  1.6659E-01
 ------------------------------------------------------------------------------------------------------------------------
     3900 -2.8708E+04  3.1116E+02 -4.2692E+04 -1.1214E+04 -3.8871E+04  2.0105E+03  2.8801E+03  2.5021E+03  0.0000E+00
   3.900p -2.8118E+04  0.0000E+00  2.6199E+04 -1.3346E+05  3.8867E+04  6.7044E+03  0.0000E+00  1.1409E+05  0.0000E+00
  15.297m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0215E+01  5.9284E+01  0.0000E+00  1.2579E-01

  rolling -2.8710E+04  3.0968E+02 -4.2627E+04 -1.1235E+04 -3.8836E+04  2.0029E+03  2.9343E+03  2.5058E+03  0.0000E+00
 averages -2.7800E+04  0.0000E+00  2.5107E+04 -1.3314E+05  3.8833E+04  5.2453E+03  0.0000E+00  1.1417E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0215E+01  5.9285E+01  0.0000E+00  1.9396E-01
 ------------------------------------------------------------------------------------------------------------------------
     3910 -2.8706E+04  3.0727E+02 -4.2515E+04 -1.1190E+04 -3.8835E+04  2.0294E+03  2.9685E+03  2.5120E+03  0.0000E+00
   3.910p -2.8421E+04  0.0000E+00  2.6762E+04 -1.3377E+05  3.8831E+04  8.0031E+03  0.0000E+00  1.1370E+05  0.0000E+00
  15.336m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0215E+01  5.9283E+01  0.0000E+00  6.0881E-02

  rolling -2.8709E+04  3.0974E+02 -4.2630E+04 -1.1224E+04 -3.8844E+04  2.0063E+03  2.9264E+03  2.5060E+03  0.0000E+00
 averages -2.7786E+04  0.0000E+00  2.5072E+04 -1.3329E+05  3.8841E+04  5.3194E+03  0.0000E+00  1.1420E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0215E+01  5.9285E+01  0.0000E+00  1.9683E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     3920 -2.8706E+04  3.1004E+02 -4.2639E+04 -1.1209E+04 -3.8839E+04  1.9658E+03  2.9202E+03  2.5234E+03  0.0000E+00
   3.920p -2.8444E+04  0.0000E+00  2.7083E+04 -1.3353E+05  3.8834E+04  8.3452E+03  0.0000E+00  1.1343E+05  0.0000E+00
  15.373m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9831E+01  9.0214E+01  5.9283E+01  0.0000E+00  5.5758E-02

  rolling -2.8709E+04  3.0961E+02 -4.2623E+04 -1.1217E+04 -3.8850E+04  2.0010E+03  2.9319E+03  2.5108E+03  0.0000E+00
 averages -2.7860E+04  0.0000E+00  2.5281E+04 -1.3338E+05  3.8846E+04  5.7068E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9285E+01  0.0000E+00  1.8110E-01
 ------------------------------------------------------------------------------------------------------------------------
     3930 -2.8704E+04  3.0953E+02 -4.2615E+04 -1.1209E+04 -3.8850E+04  2.0144E+03  2.9302E+03  2.5000E+03  0.0000E+00
   3.930p -2.8936E+04  0.0000E+00  2.8517E+04 -1.3351E+05  3.8845E+04  9.5665E+03  0.0000E+00  1.1362E+05  0.0000E+00
  15.411m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0213E+01  5.9282E+01  0.0000E+00 -4.9451E-02

  rolling -2.8708E+04  3.0939E+02 -4.2613E+04 -1.1216E+04 -3.8849E+04  2.0029E+03  2.9350E+03  2.5152E+03  0.0000E+00
 averages -2.7967E+04  0.0000E+00  2.5586E+04 -1.3340E+05  3.8845E+04  6.1463E+03  0.0000E+00  1.1399E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9284E+01  0.0000E+00  1.5801E-01
 ------------------------------------------------------------------------------------------------------------------------
     3940 -2.8704E+04  3.0962E+02 -4.2619E+04 -1.1260E+04 -3.8852E+04  1.9977E+03  3.0189E+03  2.4762E+03  0.0000E+00
   3.940p -2.9160E+04  0.0000E+00  2.9198E+04 -1.3282E+05  3.8846E+04  8.4934E+03  0.0000E+00  1.1467E+05  0.0000E+00
  15.449m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0213E+01  5.9281E+01  0.0000E+00 -9.7235E-02

  rolling -2.8708E+04  3.0934E+02 -4.2610E+04 -1.1221E+04 -3.8846E+04  2.0035E+03  2.9383E+03  2.5149E+03  0.0000E+00
 averages -2.8091E+04  0.0000E+00  2.5954E+04 -1.3334E+05  3.8841E+04  6.5017E+03  0.0000E+00  1.1395E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0215E+01  5.9284E+01  0.0000E+00  1.3151E-01
 ------------------------------------------------------------------------------------------------------------------------
     3950 -2.8705E+04  3.1072E+02 -4.2669E+04 -1.1250E+04 -3.8819E+04  2.0142E+03  2.9420E+03  2.4438E+03  0.0000E+00
   3.950p -2.8519E+04  0.0000E+00  2.7372E+04 -1.3292E+05  3.8816E+04  6.8050E+03  0.0000E+00  1.1467E+05  0.0000E+00
  15.487m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0212E+01  5.9281E+01  0.0000E+00  3.9549E-02

  rolling -2.8707E+04  3.0949E+02 -4.2616E+04 -1.1225E+04 -3.8842E+04  2.0022E+03  2.9405E+03  2.5082E+03  0.0000E+00
 averages -2.8246E+04  0.0000E+00  2.6435E+04 -1.3329E+05  3.8837E+04  6.8965E+03  0.0000E+00  1.1399E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0214E+01  5.9283E+01  0.0000E+00  9.8273E-02
 ------------------------------------------------------------------------------------------------------------------------
     3960 -2.8704E+04  3.0804E+02 -4.2548E+04 -1.1231E+04 -3.8778E+04  2.0237E+03  2.9852E+03  2.4520E+03  0.0000E+00
   3.960p -2.8804E+04  0.0000E+00  2.7988E+04 -1.3314E+05  3.8774E+04  8.8803E+03  0.0000E+00  1.1347E+05  0.0000E+00
  15.528m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0211E+01  5.9280E+01  0.0000E+00 -2.1347E-02

  rolling -2.8706E+04  3.0961E+02 -4.2621E+04 -1.1226E+04 -3.8840E+04  2.0050E+03  2.9415E+03  2.4982E+03  0.0000E+00
 averages -2.8422E+04  0.0000E+00  2.6978E+04 -1.3327E+05  3.8836E+04  7.3780E+03  0.0000E+00  1.1403E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0214E+01  5.9283E+01  0.0000E+00  6.0541E-02
 ------------------------------------------------------------------------------------------------------------------------
     3970 -2.8704E+04  3.0915E+02 -4.2598E+04 -1.1161E+04 -3.8871E+04  1.9839E+03  2.9726E+03  2.4778E+03  0.0000E+00
   3.970p -2.8634E+04  0.0000E+00  2.7577E+04 -1.3407E+05  3.8866E+04  9.3538E+03  0.0000E+00  1.1343E+05  0.0000E+00
  15.566m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0212E+01  5.9279E+01  0.0000E+00  1.4944E-02

  rolling -2.8706E+04  3.0979E+02 -4.2628E+04 -1.1223E+04 -3.8846E+04  2.0039E+03  2.9454E+03  2.4908E+03  0.0000E+00
 averages -2.8517E+04  0.0000E+00  2.7279E+04 -1.3331E+05  3.8841E+04  7.7017E+03  0.0000E+00  1.1405E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9831E+01  9.0214E+01  5.9282E+01  0.0000E+00  4.0229E-02
 ------------------------------------------------------------------------------------------------------------------------
     3980 -2.8703E+04  3.0768E+02 -4.2530E+04 -1.1170E+04 -3.8842E+04  2.0065E+03  2.9763E+03  2.4986E+03  0.0000E+00
   3.980p -2.8035E+04  0.0000E+00  2.5653E+04 -1.3391E+05  3.8837E+04  6.7161E+03  0.0000E+00  1.1401E+05  0.0000E+00
  15.604m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9278E+01  0.0000E+00  1.4233E-01

  rolling -2.8706E+04  3.0961E+02 -4.2620E+04 -1.1216E+04 -3.8843E+04  2.0037E+03  2.9477E+03  2.4884E+03  0.0000E+00
 averages -2.8510E+04  0.0000E+00  2.7241E+04 -1.3339E+05  3.8839E+04  7.7838E+03  0.0000E+00  1.1401E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9831E+01  9.0213E+01  5.9282E+01  0.0000E+00  4.1739E-02
 ------------------------------------------------------------------------------------------------------------------------
     3990 -2.8702E+04  3.0881E+02 -4.2580E+04 -1.1202E+04 -3.8815E+04  1.9787E+03  2.9683E+03  2.4893E+03  0.0000E+00
   3.990p -2.8327E+04  0.0000E+00  2.6634E+04 -1.3348E+05  3.8811E+04  7.2323E+03  0.0000E+00  1.1407E+05  0.0000E+00
  15.642m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0211E+01  5.9277E+01  0.0000E+00  7.9866E-02

  rolling -2.8705E+04  3.0927E+02 -4.2604E+04 -1.1212E+04 -3.8838E+04  2.0049E+03  2.9532E+03  2.4878E+03  0.0000E+00
 averages -2.8520E+04  0.0000E+00  2.7243E+04 -1.3343E+05  3.8833E+04  7.9074E+03  0.0000E+00  1.1394E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0213E+01  5.9281E+01  0.0000E+00  3.9481E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4000 -2.8699E+04  3.0892E+02 -4.2582E+04 -1.1245E+04 -3.8794E+04  2.0261E+03  2.9418E+03  2.4885E+03  0.0000E+00
   4.000p -2.9055E+04  0.0000E+00  2.8835E+04 -1.3288E+05  3.8789E+04  9.1527E+03  0.0000E+00  1.1377E+05  0.0000E+00
  15.683m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9276E+01  0.0000E+00 -7.5952E-02

  rolling -2.8704E+04  3.0915E+02 -4.2598E+04 -1.1214E+04 -3.8833E+04  2.0025E+03  2.9596E+03  2.4868E+03  0.0000E+00
 averages -2.8608E+04  0.0000E+00  2.7498E+04 -1.3340E+05  3.8829E+04  8.1540E+03  0.0000E+00  1.1392E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0213E+01  5.9280E+01  0.0000E+00  2.0558E-02
 ------------------------------------------------------------------------------------------------------------------------
     4010 -2.8699E+04  3.1055E+02 -4.2655E+04 -1.1256E+04 -3.8843E+04  2.0194E+03  2.9443E+03  2.4804E+03  0.0000E+00
   4.010p -2.8401E+04  0.0000E+00  2.7021E+04 -1.3272E+05  3.8835E+04  8.6792E+03  0.0000E+00  1.1223E+05  0.0000E+00
  15.727m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0213E+01  5.9275E+01  0.0000E+00  6.3411E-02

  rolling -2.8703E+04  3.0922E+02 -4.2600E+04 -1.1219E+04 -3.8830E+04  2.0030E+03  2.9611E+03  2.4847E+03  0.0000E+00
 averages -2.8650E+04  0.0000E+00  2.7633E+04 -1.3331E+05  3.8825E+04  8.3016E+03  0.0000E+00  1.1382E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0212E+01  5.9280E+01  0.0000E+00  1.1419E-02
 ------------------------------------------------------------------------------------------------------------------------
     4020 -2.8700E+04  3.1014E+02 -4.2638E+04 -1.1274E+04 -3.8827E+04  2.0164E+03  2.9798E+03  2.4662E+03  0.0000E+00
   4.020p -2.8860E+04  0.0000E+00  2.8359E+04 -1.3245E+05  3.8822E+04  8.8716E+03  0.0000E+00  1.1311E+05  0.0000E+00
  15.767m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9275E+01  0.0000E+00 -3.4286E-02

  rolling -2.8703E+04  3.0944E+02 -4.2610E+04 -1.1226E+04 -3.8829E+04  2.0062E+03  2.9595E+03  2.4799E+03  0.0000E+00
 averages -2.8666E+04  0.0000E+00  2.7704E+04 -1.3320E+05  3.8824E+04  8.3507E+03  0.0000E+00  1.1373E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9279E+01  0.0000E+00  7.7942E-03
 ------------------------------------------------------------------------------------------------------------------------
     4030 -2.8700E+04  3.1102E+02 -4.2678E+04 -1.1218E+04 -3.8914E+04  2.0130E+03  2.9931E+03  2.4481E+03  0.0000E+00
   4.030p -2.8987E+04  0.0000E+00  2.8818E+04 -1.3315E+05  3.8906E+04  9.1651E+03  0.0000E+00  1.1389E+05  0.0000E+00
  15.803m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0213E+01  5.9275E+01  0.0000E+00 -6.1258E-02

  rolling -2.8702E+04  3.0957E+02 -4.2615E+04 -1.1230E+04 -3.8833E+04  2.0076E+03  2.9662E+03  2.4740E+03  0.0000E+00
 averages -2.8709E+04  0.0000E+00  2.7846E+04 -1.3312E+05  3.8828E+04  8.3668E+03  0.0000E+00  1.1377E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9278E+01  0.0000E+00 -1.4762E-03
 ------------------------------------------------------------------------------------------------------------------------
     4040 -2.8701E+04  3.0961E+02 -4.2615E+04 -1.1187E+04 -3.8955E+04  2.0279E+03  3.0291E+03  2.4694E+03  0.0000E+00
   4.040p -2.8320E+04  0.0000E+00  2.6686E+04 -1.3350E+05  3.8950E+04  7.3135E+03  0.0000E+00  1.1392E+05  0.0000E+00
  15.844m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0213E+01  5.9275E+01  0.0000E+00  8.1237E-02

  rolling -2.8702E+04  3.0957E+02 -4.2615E+04 -1.1225E+04 -3.8840E+04  2.0099E+03  2.9693E+03  2.4712E+03  0.0000E+00
 averages -2.8643E+04  0.0000E+00  2.7647E+04 -1.3316E+05  3.8835E+04  8.2641E+03  0.0000E+00  1.1371E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9278E+01  0.0000E+00  1.2652E-02
 ------------------------------------------------------------------------------------------------------------------------
     4050 -2.8704E+04  3.1258E+02 -4.2753E+04 -1.1145E+04 -3.9052E+04  1.9955E+03  2.9706E+03  2.4783E+03  0.0000E+00
   4.050p -2.8421E+04  0.0000E+00  2.7247E+04 -1.3403E+05  3.9049E+04  7.8047E+03  0.0000E+00  1.1442E+05  0.0000E+00
  15.880m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0213E+01  5.9276E+01  0.0000E+00  6.0363E-02

  rolling -2.8702E+04  3.0965E+02 -4.2618E+04 -1.1215E+04 -3.8859E+04  2.0099E+03  2.9734E+03  2.4729E+03  0.0000E+00
 averages -2.8591E+04  0.0000E+00  2.7501E+04 -1.3326E+05  3.8854E+04  8.2477E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9277E+01  0.0000E+00  2.3590E-02
 ------------------------------------------------------------------------------------------------------------------------
     4060 -2.8702E+04  3.0840E+02 -4.2562E+04 -1.1105E+04 -3.8935E+04  1.9999E+03  2.9642E+03  2.5137E+03  0.0000E+00
   4.060p -2.9227E+04  0.0000E+00  2.9296E+04 -1.3456E+05  3.8931E+04  1.0892E+04  0.0000E+00  1.1403E+05  0.0000E+00
  15.920m  3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0213E+01  5.9276E+01  0.0000E+00 -1.1195E-01

  rolling -2.8701E+04  3.0969E+02 -4.2619E+04 -1.1202E+04 -3.8878E+04  2.0080E+03  2.9740E+03  2.4783E+03  0.0000E+00
 averages -2.8609E+04  0.0000E+00  2.7558E+04 -1.3342E+05  3.8873E+04  8.4398E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9276E+01  0.0000E+00  1.9745E-02
 ------------------------------------------------------------------------------------------------------------------------
     4070 -2.8702E+04  3.1190E+02 -4.2719E+04 -1.1136E+04 -3.9026E+04  2.0129E+03  2.9375E+03  2.4928E+03  0.0000E+00
   4.070p -2.9355E+04  0.0000E+00  2.9992E+04 -1.3410E+05  3.9020E+04  9.0552E+03  0.0000E+00  1.1602E+05  0.0000E+00
  15.958m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0214E+01  5.9275E+01  0.0000E+00 -1.3916E-01

  rolling -2.8701E+04  3.0980E+02 -4.2624E+04 -1.1194E+04 -3.8893E+04  2.0080E+03  2.9726E+03  2.4824E+03  0.0000E+00
 averages -2.8674E+04  0.0000E+00  2.7764E+04 -1.3349E+05  3.8888E+04  8.5176E+03  0.0000E+00  1.1385E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0212E+01  5.9276E+01  0.0000E+00  5.8119E-03
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4080 -2.8703E+04  3.1146E+02 -4.2701E+04 -1.1158E+04 -3.8958E+04  2.0102E+03  2.9259E+03  2.4788E+03  0.0000E+00
   4.080p -2.8473E+04  0.0000E+00  2.7305E+04 -1.3380E+05  3.8949E+04  7.0905E+03  0.0000E+00  1.1507E+05  0.0000E+00
  15.996m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0214E+01  5.9276E+01  0.0000E+00  4.9061E-02

  rolling -2.8701E+04  3.1013E+02 -4.2639E+04 -1.1192E+04 -3.8907E+04  2.0099E+03  2.9686E+03  2.4816E+03  0.0000E+00
 averages -2.8717E+04  0.0000E+00  2.7925E+04 -1.3349E+05  3.8901E+04  8.4820E+03  0.0000E+00  1.1403E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0213E+01  5.9276E+01  0.0000E+00 -3.5409E-03
 ------------------------------------------------------------------------------------------------------------------------
     4090 -2.8705E+04  3.1266E+02 -4.2757E+04 -1.1236E+04 -3.8912E+04  1.9980E+03  2.9428E+03  2.4511E+03  0.0000E+00
   4.090p -2.9389E+04  0.0000E+00  3.0155E+04 -1.3281E+05  3.8907E+04  1.0768E+04  0.0000E+00  1.1329E+05  0.0000E+00
  16.036m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9275E+01  0.0000E+00 -1.4581E-01

  rolling -2.8701E+04  3.1055E+02 -4.2658E+04 -1.1194E+04 -3.8917E+04  2.0111E+03  2.9636E+03  2.4785E+03  0.0000E+00
 averages -2.8806E+04  0.0000E+00  2.8228E+04 -1.3344E+05  3.8911E+04  8.7049E+03  0.0000E+00  1.1405E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0213E+01  5.9276E+01  0.0000E+00 -2.2349E-02
 ------------------------------------------------------------------------------------------------------------------------
     4100 -2.8709E+04  3.1326E+02 -4.2787E+04 -1.1253E+04 -3.8873E+04  2.0476E+03  2.8349E+03  2.4558E+03  0.0000E+00
   4.100p -2.9401E+04  0.0000E+00  3.0233E+04 -1.3263E+05  3.8870E+04  1.1696E+04  0.0000E+00  1.1229E+05  0.0000E+00
  16.077m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0216E+01  5.9274E+01  0.0000E+00 -1.4758E-01

  rolling -2.8702E+04  3.1098E+02 -4.2678E+04 -1.1195E+04 -3.8927E+04  2.0140E+03  2.9560E+03  2.4747E+03  0.0000E+00
 averages -2.8882E+04  0.0000E+00  2.8492E+04 -1.3340E+05  3.8921E+04  9.0496E+03  0.0000E+00  1.1392E+05  0.0000E+00
           3.2156E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0213E+01  5.9275E+01  0.0000E+00 -3.8372E-02
 ------------------------------------------------------------------------------------------------------------------------
     4110 -2.8708E+04  3.1089E+02 -4.2680E+04 -1.1272E+04 -3.8831E+04  2.0138E+03  2.9402E+03  2.4684E+03  0.0000E+00
   4.110p -2.8572E+04  0.0000E+00  2.7536E+04 -1.3231E+05  3.8829E+04  8.1525E+03  0.0000E+00  1.1287E+05  0.0000E+00
  16.112m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0216E+01  5.9273E+01  0.0000E+00  2.8976E-02

  rolling -2.8703E+04  3.1121E+02 -4.2689E+04 -1.1196E+04 -3.8928E+04  2.0120E+03  2.9508E+03  2.4727E+03  0.0000E+00
 averages -2.8889E+04  0.0000E+00  2.8531E+04 -1.3337E+05  3.8923E+04  9.1142E+03  0.0000E+00  1.1386E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0214E+01  5.9275E+01  0.0000E+00 -3.9686E-02
 ------------------------------------------------------------------------------------------------------------------------
     4120 -2.8710E+04  3.1003E+02 -4.2644E+04 -1.1233E+04 -3.8841E+04  2.0187E+03  2.9493E+03  2.4633E+03  0.0000E+00
   4.120p -2.8922E+04  0.0000E+00  2.8502E+04 -1.3280E+05  3.8838E+04  8.6624E+03  0.0000E+00  1.1381E+05  0.0000E+00
  16.152m  3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9273E+01  0.0000E+00 -4.5150E-02

  rolling -2.8704E+04  3.1110E+02 -4.2685E+04 -1.1195E+04 -3.8930E+04  2.0161E+03  2.9519E+03  2.4719E+03  0.0000E+00
 averages -2.8904E+04  0.0000E+00  2.8563E+04 -1.3336E+05  3.8925E+04  9.0588E+03  0.0000E+00  1.1394E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0214E+01  5.9275E+01  0.0000E+00 -4.2677E-02
 ------------------------------------------------------------------------------------------------------------------------
     4130 -2.8711E+04  3.0922E+02 -4.2608E+04 -1.1244E+04 -3.8848E+04  2.0380E+03  2.9825E+03  2.4636E+03  0.0000E+00
   4.130p -2.9871E+04  0.0000E+00  3.1276E+04 -1.3264E+05  3.8843E+04  1.0983E+04  0.0000E+00  1.1408E+05  0.0000E+00
  16.188m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9272E+01  0.0000E+00 -2.4752E-01

  rolling -2.8705E+04  3.1105E+02 -4.2684E+04 -1.1194E+04 -3.8926E+04  2.0134E+03  2.9503E+03  2.4730E+03  0.0000E+00
 averages -2.8943E+04  0.0000E+00  2.8673E+04 -1.3336E+05  3.8922E+04  9.1465E+03  0.0000E+00  1.1397E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0214E+01  5.9275E+01  0.0000E+00 -5.0823E-02
 ------------------------------------------------------------------------------------------------------------------------
     4140 -2.8710E+04  3.1019E+02 -4.2651E+04 -1.1260E+04 -3.8830E+04  1.9612E+03  3.0277E+03  2.4506E+03  0.0000E+00
   4.140p -2.8653E+04  0.0000E+00  2.7711E+04 -1.3238E+05  3.8826E+04  8.5899E+03  0.0000E+00  1.1268E+05  0.0000E+00
  16.229m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0215E+01  5.9272E+01  0.0000E+00  1.2120E-02

  rolling -2.8706E+04  3.1096E+02 -4.2681E+04 -1.1200E+04 -3.8918E+04  2.0128E+03  2.9513E+03  2.4729E+03  0.0000E+00
 averages -2.9015E+04  0.0000E+00  2.8879E+04 -1.3326E+05  3.8913E+04  9.3238E+03  0.0000E+00  1.1390E+05  0.0000E+00
           3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9274E+01  0.0000E+00 -6.6004E-02
 ------------------------------------------------------------------------------------------------------------------------
     4150 -2.8709E+04  3.0763E+02 -4.2534E+04 -1.1277E+04 -3.8787E+04  2.0655E+03  3.0082E+03  2.4552E+03  0.0000E+00
   4.150p -2.8826E+04  0.0000E+00  2.8001E+04 -1.3212E+05  3.8781E+04  8.2233E+03  0.0000E+00  1.1312E+05  0.0000E+00
  16.264m  3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9273E+01  0.0000E+00 -2.4857E-02

  rolling -2.8707E+04  3.1078E+02 -4.2674E+04 -1.1211E+04 -3.8896E+04  2.0142E+03  2.9495E+03  2.4704E+03  0.0000E+00
 averages -2.9050E+04  0.0000E+00  2.8964E+04 -1.3310E+05  3.8891E+04  9.4000E+03  0.0000E+00  1.1377E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9274E+01  0.0000E+00 -7.3242E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4160 -2.8708E+04  3.0869E+02 -4.2582E+04 -1.1269E+04 -3.8822E+04  1.9930E+03  3.0481E+03  2.4682E+03  0.0000E+00
   4.160p -2.9944E+04  0.0000E+00  3.1454E+04 -1.3219E+05  3.8820E+04  1.1020E+04  0.0000E+00  1.1381E+05  0.0000E+00
  16.304m  3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0216E+01  5.9273E+01  0.0000E+00 -2.6356E-01

  rolling -2.8707E+04  3.1061E+02 -4.2667E+04 -1.1227E+04 -3.8877E+04  2.0149E+03  2.9552E+03  2.4670E+03  0.0000E+00
 averages -2.9111E+04  0.0000E+00  2.9130E+04 -1.3287E+05  3.8872E+04  9.4139E+03  0.0000E+00  1.1372E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9274E+01  0.0000E+00 -8.6108E-02
 ------------------------------------------------------------------------------------------------------------------------
     4170 -2.8706E+04  3.0959E+02 -4.2620E+04 -1.1245E+04 -3.8871E+04  1.9933E+03  3.0262E+03  2.4767E+03  0.0000E+00
   4.170p -2.9489E+04  0.0000E+00  3.0175E+04 -1.3250E+05  3.8867E+04  8.9034E+03  0.0000E+00  1.1490E+05  0.0000E+00
  16.340m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0216E+01  5.9272E+01  0.0000E+00 -1.6690E-01

  rolling -2.8708E+04  3.1056E+02 -4.2665E+04 -1.1241E+04 -3.8866E+04  2.0156E+03  2.9622E+03  2.4635E+03  0.0000E+00
 averages -2.9159E+04  0.0000E+00  2.9269E+04 -1.3267E+05  3.8861E+04  9.4227E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2154E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9274E+01  0.0000E+00 -9.6257E-02
 ------------------------------------------------------------------------------------------------------------------------
     4180 -2.8709E+04  3.0967E+02 -4.2626E+04 -1.1223E+04 -3.8894E+04  2.0512E+03  2.9743E+03  2.4653E+03  0.0000E+00
   4.180p -2.8863E+04  0.0000E+00  2.8298E+04 -1.3279E+05  3.8891E+04  6.7137E+03  0.0000E+00  1.1548E+05  0.0000E+00
  16.380m  3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0216E+01  5.9272E+01  0.0000E+00 -3.2979E-02

  rolling -2.8709E+04  3.1037E+02 -4.2657E+04 -1.1250E+04 -3.8852E+04  2.0156E+03  2.9671E+03  2.4625E+03  0.0000E+00
 averages -2.9182E+04  0.0000E+00  2.9318E+04 -1.3254E+05  3.8849E+04  9.3871E+03  0.0000E+00  1.1362E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9273E+01  0.0000E+00 -1.0098E-01
 ------------------------------------------------------------------------------------------------------------------------
     4190 -2.8708E+04  3.0933E+02 -4.2610E+04 -1.1222E+04 -3.8870E+04  2.0376E+03  2.9954E+03  2.4493E+03  0.0000E+00
   4.190p -2.9504E+04  0.0000E+00  3.0192E+04 -1.3287E+05  3.8867E+04  1.0860E+04  0.0000E+00  1.1333E+05  0.0000E+00
  16.420m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0216E+01  5.9272E+01  0.0000E+00 -1.6975E-01

  rolling -2.8709E+04  3.1012E+02 -4.2647E+04 -1.1251E+04 -3.8850E+04  2.0203E+03  2.9723E+03  2.4615E+03  0.0000E+00
 averages -2.9204E+04  0.0000E+00  2.9359E+04 -1.3251E+05  3.8846E+04  9.3697E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2153E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9273E+01  0.0000E+00 -1.0551E-01
 ------------------------------------------------------------------------------------------------------------------------
     4200 -2.8708E+04  3.1062E+02 -4.2668E+04 -1.1210E+04 -3.8885E+04  2.0045E+03  2.9864E+03  2.4361E+03  0.0000E+00
   4.200p -2.9387E+04  0.0000E+00  2.9956E+04 -1.3306E+05  3.8879E+04  1.1811E+04  0.0000E+00  1.1233E+05  0.0000E+00
  16.456m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0216E+01  5.9271E+01  0.0000E+00 -1.4482E-01

  rolling -2.8709E+04  3.0975E+02 -4.2630E+04 -1.1248E+04 -3.8846E+04  2.0195E+03  2.9835E+03  2.4609E+03  0.0000E+00
 averages -2.9200E+04  0.0000E+00  2.9316E+04 -1.3254E+05  3.8842E+04  9.3907E+03  0.0000E+00  1.1362E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0215E+01  5.9273E+01  0.0000E+00 -1.0478E-01
 ------------------------------------------------------------------------------------------------------------------------
     4210 -2.8708E+04  3.1026E+02 -4.2652E+04 -1.1179E+04 -3.8957E+04  1.9971E+03  3.0558E+03  2.4314E+03  0.0000E+00
   4.210p -2.8248E+04  0.0000E+00  2.6506E+04 -1.3345E+05  3.8954E+04  7.8084E+03  0.0000E+00  1.1320E+05  0.0000E+00
  16.497m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0215E+01  5.9271E+01  0.0000E+00  9.8210E-02

  rolling -2.8709E+04  3.0964E+02 -4.2625E+04 -1.1241E+04 -3.8855E+04  2.0184E+03  2.9956E+03  2.4574E+03  0.0000E+00
 averages -2.9197E+04  0.0000E+00  2.9296E+04 -1.3262E+05  3.8851E+04  9.3784E+03  0.0000E+00  1.1368E+05  0.0000E+00
           3.2152E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0215E+01  5.9272E+01  0.0000E+00 -1.0404E-01
 ------------------------------------------------------------------------------------------------------------------------
     4220 -2.8709E+04  3.1036E+02 -4.2658E+04 -1.1130E+04 -3.8988E+04  2.0112E+03  3.0096E+03  2.4385E+03  0.0000E+00
   4.220p -2.8663E+04  0.0000E+00  2.7758E+04 -1.3406E+05  3.8984E+04  8.8785E+03  0.0000E+00  1.1396E+05  0.0000E+00
  16.533m  3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9827E+01  9.0216E+01  5.9270E+01  0.0000E+00  9.8619E-03

  rolling -2.8709E+04  3.0969E+02 -4.2627E+04 -1.1231E+04 -3.8868E+04  2.0128E+03  3.0048E+03  2.4545E+03  0.0000E+00
 averages -2.9155E+04  0.0000E+00  2.9174E+04 -1.3274E+05  3.8864E+04  9.3514E+03  0.0000E+00  1.1370E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0215E+01  5.9272E+01  0.0000E+00 -9.5121E-02
 ------------------------------------------------------------------------------------------------------------------------
     4230 -2.8709E+04  3.1070E+02 -4.2673E+04 -1.1102E+04 -3.9008E+04  2.0162E+03  2.9741E+03  2.4472E+03  0.0000E+00
   4.230p -3.0265E+04  0.0000E+00  3.2594E+04 -1.3439E+05  3.9005E+04  1.2758E+04  0.0000E+00  1.1523E+05  0.0000E+00
  16.573m  3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9827E+01  9.0215E+01  5.9270E+01  0.0000E+00 -3.3184E-01

  rolling -2.8709E+04  3.0975E+02 -4.2629E+04 -1.1219E+04 -3.8884E+04  2.0163E+03  3.0057E+03  2.4522E+03  0.0000E+00
 averages -2.9177E+04  0.0000E+00  2.9246E+04 -1.3289E+05  3.8881E+04  9.4717E+03  0.0000E+00  1.1378E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0215E+01  5.9272E+01  0.0000E+00 -9.9830E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4240 -2.8711E+04  3.1183E+02 -4.2725E+04 -1.1151E+04 -3.8993E+04  1.9838E+03  2.9692E+03  2.4655E+03  0.0000E+00
   4.240p -2.9480E+04  0.0000E+00  3.0335E+04 -1.3374E+05  3.8992E+04  1.0260E+04  0.0000E+00  1.1482E+05  0.0000E+00
  16.612m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0216E+01  5.9270E+01  0.0000E+00 -1.6402E-01

  rolling -2.8709E+04  3.0986E+02 -4.2634E+04 -1.1205E+04 -3.8900E+04  2.0140E+03  3.0043E+03  2.4523E+03  0.0000E+00
 averages -2.9238E+04  0.0000E+00  2.9441E+04 -1.3306E+05  3.8897E+04  9.6614E+03  0.0000E+00  1.1395E+05  0.0000E+00
           3.2151E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0216E+01  5.9271E+01  0.0000E+00 -1.1299E-01
 ------------------------------------------------------------------------------------------------------------------------
     4250 -2.8712E+04  3.1115E+02 -4.2696E+04 -1.1224E+04 -3.8931E+04  2.0231E+03  2.9555E+03  2.4809E+03  0.0000E+00
   4.250p -2.8808E+04  0.0000E+00  2.8254E+04 -1.3271E+05  3.8928E+04  7.2878E+03  0.0000E+00  1.1475E+05  0.0000E+00
  16.649m  3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9270E+01  0.0000E+00 -2.0427E-02

  rolling -2.8709E+04  3.1003E+02 -4.2642E+04 -1.1196E+04 -3.8916E+04  2.0120E+03  3.0030E+03  2.4548E+03  0.0000E+00
 averages -2.9265E+04  0.0000E+00  2.9536E+04 -1.3317E+05  3.8913E+04  9.6911E+03  0.0000E+00  1.1411E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0216E+01  5.9271E+01  0.0000E+00 -1.1865E-01
 ------------------------------------------------------------------------------------------------------------------------
     4260 -2.8712E+04  3.0907E+02 -4.2602E+04 -1.1271E+04 -3.8873E+04  2.0498E+03  3.0129E+03  2.4789E+03  0.0000E+00
   4.260p -2.9716E+04  0.0000E+00  3.0792E+04 -1.3212E+05  3.8869E+04  9.9254E+03  0.0000E+00  1.1412E+05  0.0000E+00
  16.687m  3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0216E+01  5.9269E+01  0.0000E+00 -2.1415E-01

  rolling -2.8709E+04  3.1015E+02 -4.2648E+04 -1.1194E+04 -3.8926E+04  2.0150E+03  3.0001E+03  2.4566E+03  0.0000E+00
 averages -2.9245E+04  0.0000E+00  2.9485E+04 -1.3319E+05  3.8923E+04  9.5547E+03  0.0000E+00  1.1420E+05  0.0000E+00
           3.2150E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0216E+01  5.9271E+01  0.0000E+00 -1.1424E-01
 ------------------------------------------------------------------------------------------------------------------------
     4270 -2.8713E+04  3.1147E+02 -4.2710E+04 -1.1311E+04 -3.8854E+04  1.9810E+03  2.9984E+03  2.4753E+03  0.0000E+00
   4.270p -2.9965E+04  0.0000E+00  3.1753E+04 -1.3163E+05  3.8851E+04  1.0234E+04  0.0000E+00  1.1430E+05  0.0000E+00
  16.725m  3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0216E+01  5.9269E+01  0.0000E+00 -2.6714E-01

  rolling -2.8709E+04  3.1018E+02 -4.2650E+04 -1.1197E+04 -3.8927E+04  2.0163E+03  3.0004E+03  2.4570E+03  0.0000E+00
 averages -2.9248E+04  0.0000E+00  2.9495E+04 -1.3315E+05  3.8923E+04  9.5778E+03  0.0000E+00  1.1415E+05  0.0000E+00
           3.2149E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0216E+01  5.9270E+01  0.0000E+00 -1.1479E-01
 ------------------------------------------------------------------------------------------------------------------------
     4280 -2.8713E+04  3.1067E+02 -4.2675E+04 -1.1329E+04 -3.8819E+04  2.0493E+03  2.9589E+03  2.4641E+03  0.0000E+00
   4.280p -2.9165E+04  0.0000E+00  2.9278E+04 -1.3140E+05  3.8817E+04  7.4675E+03  0.0000E+00  1.1439E+05  0.0000E+00
  16.766m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0217E+01  5.9269E+01  0.0000E+00 -9.6270E-02

  rolling -2.8710E+04  3.1026E+02 -4.2654E+04 -1.1206E+04 -3.8921E+04  2.0153E+03  3.0014E+03  2.4568E+03  0.0000E+00
 averages -2.9303E+04  0.0000E+00  2.9666E+04 -1.3303E+05  3.8918E+04  9.7208E+03  0.0000E+00  1.1406E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0216E+01  5.9270E+01  0.0000E+00 -1.2643E-01
 ------------------------------------------------------------------------------------------------------------------------
     4290 -2.8717E+04  3.1473E+02 -4.2862E+04 -1.1310E+04 -3.8931E+04  1.9701E+03  2.9490E+03  2.4595E+03  0.0000E+00
   4.290p -2.9231E+04  0.0000E+00  2.9830E+04 -1.3167E+05  3.8929E+04  8.3843E+03  0.0000E+00  1.1418E+05  0.0000E+00
  16.801m  3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9268E+01  0.0000E+00 -1.0958E-01

  rolling -2.8710E+04  3.1065E+02 -4.2672E+04 -1.1216E+04 -3.8920E+04  2.0116E+03  2.9953E+03  2.4573E+03  0.0000E+00
 averages -2.9291E+04  0.0000E+00  2.9663E+04 -1.3290E+05  3.8917E+04  9.6058E+03  0.0000E+00  1.1404E+05  0.0000E+00
           3.2148E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0216E+01  5.9270E+01  0.0000E+00 -1.2373E-01
 ------------------------------------------------------------------------------------------------------------------------
     4300 -2.8719E+04  3.1251E+02 -4.2764E+04 -1.1319E+04 -3.8925E+04  2.0136E+03  3.0022E+03  2.4644E+03  0.0000E+00
   4.300p -2.9916E+04  0.0000E+00  3.1680E+04 -1.3159E+05  3.8922E+04  1.0084E+04  0.0000E+00  1.1427E+05  0.0000E+00
  16.841m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9268E+01  0.0000E+00 -2.5527E-01

  rolling -2.8712E+04  3.1101E+02 -4.2689E+04 -1.1226E+04 -3.8927E+04  2.0096E+03  2.9953E+03  2.4591E+03  0.0000E+00
 averages -2.9317E+04  0.0000E+00  2.9770E+04 -1.3277E+05  3.8924E+04  9.3715E+03  0.0000E+00  1.1424E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0216E+01  5.9269E+01  0.0000E+00 -1.2907E-01
 ------------------------------------------------------------------------------------------------------------------------
     4310 -2.8722E+04  3.1099E+02 -4.2698E+04 -1.1336E+04 -3.8843E+04  2.0394E+03  2.9645E+03  2.4772E+03  0.0000E+00
   4.310p -2.8625E+04  0.0000E+00  2.7662E+04 -1.3147E+05  3.8838E+04  7.6618E+03  0.0000E+00  1.1263E+05  0.0000E+00
  16.882m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9268E+01  0.0000E+00  2.0691E-02

  rolling -2.8713E+04  3.1121E+02 -4.2699E+04 -1.1239E+04 -3.8923E+04  2.0096E+03  2.9900E+03  2.4632E+03  0.0000E+00
 averages -2.9354E+04  0.0000E+00  2.9897E+04 -1.3260E+05  3.8920E+04  9.2897E+03  0.0000E+00  1.1428E+05  0.0000E+00
           3.2147E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0216E+01  5.9269E+01  0.0000E+00 -1.3684E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4320 -2.8721E+04  3.0970E+02 -4.2640E+04 -1.1341E+04 -3.8801E+04  1.9928E+03  3.0315E+03  2.4775E+03  0.0000E+00
   4.320p -2.8894E+04  0.0000E+00  2.8354E+04 -1.3143E+05  3.8800E+04  8.1794E+03  0.0000E+00  1.1280E+05  0.0000E+00
  16.917m  3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9827E+01  9.0217E+01  5.9267E+01  0.0000E+00 -3.6739E-02

  rolling -2.8714E+04  3.1106E+02 -4.2694E+04 -1.1258E+04 -3.8906E+04  2.0155E+03  2.9868E+03  2.4674E+03  0.0000E+00
 averages -2.9392E+04  0.0000E+00  2.9991E+04 -1.3236E+05  3.8903E+04  9.2719E+03  0.0000E+00  1.1418E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9269E+01  0.0000E+00 -1.4452E-01
 ------------------------------------------------------------------------------------------------------------------------
     4330 -2.8722E+04  3.1063E+02 -4.2682E+04 -1.1257E+04 -3.8910E+04  2.0448E+03  2.9605E+03  2.4794E+03  0.0000E+00
   4.330p -2.9624E+04  0.0000E+00  3.0626E+04 -1.3259E+05  3.8907E+04  1.1256E+04  0.0000E+00  1.1305E+05  0.0000E+00
  16.957m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9827E+01  9.0216E+01  5.9267E+01  0.0000E+00 -1.9238E-01

  rolling -2.8715E+04  3.1114E+02 -4.2699E+04 -1.1276E+04 -3.8892E+04  2.0113E+03  2.9869E+03  2.4711E+03  0.0000E+00
 averages -2.9359E+04  0.0000E+00  2.9897E+04 -1.3214E+05  3.8889E+04  9.1394E+03  0.0000E+00  1.1401E+05  0.0000E+00
           3.2146E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9268E+01  0.0000E+00 -1.3728E-01
 ------------------------------------------------------------------------------------------------------------------------
     4340 -2.8725E+04  3.1195E+02 -4.2744E+04 -1.1232E+04 -3.8924E+04  1.9888E+03  2.9503E+03  2.4731E+03  0.0000E+00
   4.340p -2.8964E+04  0.0000E+00  2.8758E+04 -1.3290E+05  3.8920E+04  8.8846E+03  0.0000E+00  1.1385E+05  0.0000E+00
  16.996m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9827E+01  9.0217E+01  5.9266E+01  0.0000E+00 -5.1142E-02

  rolling -2.8717E+04  3.1124E+02 -4.2705E+04 -1.1289E+04 -3.8884E+04  2.0160E+03  2.9791E+03  2.4728E+03  0.0000E+00
 averages -2.9310E+04  0.0000E+00  2.9756E+04 -1.3200E+05  3.8881E+04  8.9956E+03  0.0000E+00  1.1388E+05  0.0000E+00
           3.2145E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9268E+01  0.0000E+00 -1.2658E-01
 ------------------------------------------------------------------------------------------------------------------------
     4350 -2.8725E+04  3.0859E+02 -4.2594E+04 -1.1199E+04 -3.8903E+04  2.0123E+03  3.0363E+03  2.4591E+03  0.0000E+00
   4.350p -2.8038E+04  0.0000E+00  2.5677E+04 -1.3331E+05  3.8904E+04  6.0901E+03  0.0000E+00  1.1399E+05  0.0000E+00
  17.033m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9827E+01  9.0217E+01  5.9266E+01  0.0000E+00  1.4655E-01

  rolling -2.8718E+04  3.1121E+02 -4.2705E+04 -1.1292E+04 -3.8879E+04  2.0144E+03  2.9800E+03  2.4722E+03  0.0000E+00
 averages -2.9259E+04  0.0000E+00  2.9593E+04 -1.3198E+05  3.8877E+04  8.8722E+03  0.0000E+00  1.1382E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9268E+01  0.0000E+00 -1.1523E-01
 ------------------------------------------------------------------------------------------------------------------------
     4360 -2.8724E+04  3.0896E+02 -4.2609E+04 -1.1238E+04 -3.8828E+04  2.0087E+03  3.0044E+03  2.4444E+03  0.0000E+00
   4.360p -2.8943E+04  0.0000E+00  2.8428E+04 -1.3281E+05  3.8828E+04  8.4513E+03  0.0000E+00  1.1396E+05  0.0000E+00
  17.071m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9827E+01  9.0217E+01  5.9265E+01  0.0000E+00 -4.6785E-02

  rolling -2.8720E+04  3.1105E+02 -4.2699E+04 -1.1288E+04 -3.8875E+04  2.0116E+03  2.9842E+03  2.4686E+03  0.0000E+00
 averages -2.9170E+04  0.0000E+00  2.9310E+04 -1.3205E+05  3.8873E+04  8.7328E+03  0.0000E+00  1.1376E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9267E+01  0.0000E+00 -9.6098E-02
 ------------------------------------------------------------------------------------------------------------------------
     4370 -2.8725E+04  3.1160E+02 -4.2729E+04 -1.1266E+04 -3.8883E+04  2.0317E+03  2.9203E+03  2.4684E+03  0.0000E+00
   4.370p -2.9428E+04  0.0000E+00  3.0118E+04 -1.3244E+05  3.8883E+04  9.7677E+03  0.0000E+00  1.1390E+05  0.0000E+00
  17.109m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0218E+01  5.9265E+01  0.0000E+00 -1.5005E-01

  rolling -2.8721E+04  3.1112E+02 -4.2703E+04 -1.1285E+04 -3.8875E+04  2.0129E+03  2.9773E+03  2.4669E+03  0.0000E+00
 averages -2.9112E+04  0.0000E+00  2.9138E+04 -1.3212E+05  3.8873E+04  8.6362E+03  0.0000E+00  1.1375E+05  0.0000E+00
           3.2144E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9267E+01  0.0000E+00 -8.3428E-02
 ------------------------------------------------------------------------------------------------------------------------
     4380 -2.8724E+04  3.0871E+02 -4.2598E+04 -1.1319E+04 -3.8750E+04  1.9785E+03  3.0066E+03  2.4854E+03  0.0000E+00
   4.380p -2.8420E+04  0.0000E+00  2.6837E+04 -1.3176E+05  3.8749E+04  6.5428E+03  0.0000E+00  1.1331E+05  0.0000E+00
  17.148m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0218E+01  5.9265E+01  0.0000E+00  6.4801E-02

  rolling -2.8722E+04  3.1114E+02 -4.2705E+04 -1.1283E+04 -3.8874E+04  2.0105E+03  2.9733E+03  2.4674E+03  0.0000E+00
 averages -2.9048E+04  0.0000E+00  2.8945E+04 -1.3217E+05  3.8872E+04  8.5806E+03  0.0000E+00  1.1367E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9267E+01  0.0000E+00 -6.9607E-02
 ------------------------------------------------------------------------------------------------------------------------
     4390 -2.8723E+04  3.0800E+02 -4.2565E+04 -1.1327E+04 -3.8720E+04  2.0044E+03  2.9751E+03  2.5027E+03  0.0000E+00
   4.390p -2.8438E+04  0.0000E+00  2.6829E+04 -1.3164E+05  3.8721E+04  6.4270E+03  0.0000E+00  1.1332E+05  0.0000E+00
  17.186m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0218E+01  5.9264E+01  0.0000E+00  6.0770E-02

  rolling -2.8723E+04  3.1059E+02 -4.2681E+04 -1.1284E+04 -3.8859E+04  2.0111E+03  2.9790E+03  2.4713E+03  0.0000E+00
 averages -2.8979E+04  0.0000E+00  2.8686E+04 -1.3218E+05  3.8857E+04  8.4310E+03  0.0000E+00  1.1358E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9266E+01  0.0000E+00 -5.4718E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4400 -2.8721E+04  3.0922E+02 -4.2618E+04 -1.1300E+04 -3.8772E+04  2.0500E+03  2.9022E+03  2.5018E+03  0.0000E+00
   4.400p -2.9329E+04  0.0000E+00  2.9615E+04 -1.3200E+05  3.8772E+04  9.1994E+03  0.0000E+00  1.1364E+05  0.0000E+00
  17.224m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0218E+01  5.9263E+01  0.0000E+00 -1.2954E-01

  rolling -2.8723E+04  3.1015E+02 -4.2662E+04 -1.1284E+04 -3.8838E+04  2.0112E+03  2.9733E+03  2.4751E+03  0.0000E+00
 averages -2.8894E+04  0.0000E+00  2.8391E+04 -1.3220E+05  3.8836E+04  8.2581E+03  0.0000E+00  1.1349E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9266E+01  0.0000E+00 -3.6486E-02
 ------------------------------------------------------------------------------------------------------------------------
     4410 -2.8726E+04  3.1212E+02 -4.2753E+04 -1.1272E+04 -3.8871E+04  2.0130E+03  2.8809E+03  2.4956E+03  0.0000E+00
   4.410p -2.9148E+04  0.0000E+00  2.9322E+04 -1.3237E+05  3.8872E+04  8.6594E+03  0.0000E+00  1.1416E+05  0.0000E+00
  17.261m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9263E+01  0.0000E+00 -9.0103E-02

  rolling -2.8723E+04  3.0999E+02 -4.2655E+04 -1.1279E+04 -3.8835E+04  2.0161E+03  2.9646E+03  2.4783E+03  0.0000E+00
 averages -2.8907E+04  0.0000E+00  2.8415E+04 -1.3227E+05  3.8834E+04  8.3032E+03  0.0000E+00  1.1355E+05  0.0000E+00
           3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9266E+01  0.0000E+00 -3.9246E-02
 ------------------------------------------------------------------------------------------------------------------------
     4420 -2.8723E+04  3.0980E+02 -4.2646E+04 -1.1307E+04 -3.8756E+04  1.9852E+03  2.9622E+03  2.4693E+03  0.0000E+00
   4.420p -2.9119E+04  0.0000E+00  2.9032E+04 -1.3189E+05  3.8754E+04  7.6618E+03  0.0000E+00  1.1451E+05  0.0000E+00
  17.303m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9263E+01  0.0000E+00 -8.4347E-02

  rolling -2.8724E+04  3.1011E+02 -4.2661E+04 -1.1274E+04 -3.8834E+04  2.0113E+03  2.9577E+03  2.4782E+03  0.0000E+00
 averages -2.8953E+04  0.0000E+00  2.8561E+04 -1.3234E+05  3.8833E+04  8.3398E+03  0.0000E+00  1.1373E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9265E+01  0.0000E+00 -4.8838E-02
 ------------------------------------------------------------------------------------------------------------------------
     4430 -2.8723E+04  3.0858E+02 -4.2591E+04 -1.1317E+04 -3.8728E+04  2.0182E+03  2.9634E+03  2.4723E+03  0.0000E+00
   4.430p -2.8914E+04  0.0000E+00  2.8311E+04 -1.3177E+05  3.8728E+04  8.5817E+03  0.0000E+00  1.1277E+05  0.0000E+00
  17.339m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0217E+01  5.9263E+01  0.0000E+00 -4.0858E-02

  rolling -2.8724E+04  3.0993E+02 -4.2653E+04 -1.1276E+04 -3.8823E+04  2.0102E+03  2.9582E+03  2.4777E+03  0.0000E+00
 averages -2.8913E+04  0.0000E+00  2.8426E+04 -1.3232E+05  3.8822E+04  8.1512E+03  0.0000E+00  1.1377E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9265E+01  0.0000E+00 -4.0403E-02
 ------------------------------------------------------------------------------------------------------------------------
     4440 -2.8722E+04  3.1013E+02 -4.2660E+04 -1.1375E+04 -3.8681E+04  2.0294E+03  2.9133E+03  2.4538E+03  0.0000E+00
   4.440p -2.9074E+04  0.0000E+00  2.8931E+04 -1.3091E+05  3.8682E+04  7.4551E+03  0.0000E+00  1.1371E+05  0.0000E+00
  17.379m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0217E+01  5.9263E+01  0.0000E+00 -7.5053E-02

  rolling -2.8724E+04  3.0963E+02 -4.2639E+04 -1.1286E+04 -3.8799E+04  2.0107E+03  2.9592E+03  2.4761E+03  0.0000E+00
 averages -2.8876E+04  0.0000E+00  2.8289E+04 -1.3218E+05  3.8799E+04  7.9305E+03  0.0000E+00  1.1374E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9828E+01  9.0217E+01  5.9264E+01  0.0000E+00 -3.2589E-02
 ------------------------------------------------------------------------------------------------------------------------
     4450 -2.8723E+04  3.1249E+02 -4.2767E+04 -1.1367E+04 -3.8749E+04  2.0125E+03  2.8791E+03  2.4575E+03  0.0000E+00
   4.450p -2.8315E+04  0.0000E+00  2.6864E+04 -1.3102E+05  3.8749E+04  5.7471E+03  0.0000E+00  1.1339E+05  0.0000E+00
  17.420m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0217E+01  5.9263E+01  0.0000E+00  8.7020E-02

  rolling -2.8723E+04  3.0970E+02 -4.2642E+04 -1.1302E+04 -3.8780E+04  2.0150E+03  2.9499E+03  2.4750E+03  0.0000E+00
 averages -2.8904E+04  0.0000E+00  2.8380E+04 -1.3196E+05  3.8780E+04  7.8670E+03  0.0000E+00  1.1369E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9264E+01  0.0000E+00 -3.8621E-02
 ------------------------------------------------------------------------------------------------------------------------
     4460 -2.8725E+04  3.1109E+02 -4.2707E+04 -1.1388E+04 -3.8747E+04  2.0240E+03  2.9643E+03  2.4401E+03  0.0000E+00
   4.460p -2.9320E+04  0.0000E+00  2.9745E+04 -1.3071E+05  3.8747E+04  7.4757E+03  0.0000E+00  1.1423E+05  0.0000E+00
  17.456m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0217E+01  5.9263E+01  0.0000E+00 -1.2681E-01

  rolling -2.8723E+04  3.1009E+02 -4.2659E+04 -1.1318E+04 -3.8768E+04  2.0132E+03  2.9383E+03  2.4751E+03  0.0000E+00
 averages -2.8939E+04  0.0000E+00  2.8519E+04 -1.3174E+05  3.8768E+04  7.8046E+03  0.0000E+00  1.1368E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9264E+01  0.0000E+00 -4.5992E-02
 ------------------------------------------------------------------------------------------------------------------------
     4470 -2.8729E+04  3.1390E+02 -4.2836E+04 -1.1316E+04 -3.8853E+04  1.9689E+03  2.9249E+03  2.4395E+03  0.0000E+00
   4.470p -2.9145E+04  0.0000E+00  2.9463E+04 -1.3170E+05  3.8850E+04  7.7967E+03  0.0000E+00  1.1451E+05  0.0000E+00
  17.496m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9831E+01  9.0218E+01  5.9264E+01  0.0000E+00 -8.8738E-02

  rolling -2.8724E+04  3.1036E+02 -4.2672E+04 -1.1328E+04 -3.8763E+04  2.0110E+03  2.9358E+03  2.4731E+03  0.0000E+00
 averages -2.8952E+04  0.0000E+00  2.8580E+04 -1.3159E+05  3.8763E+04  7.6433E+03  0.0000E+00  1.1376E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9264E+01  0.0000E+00 -4.8654E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4480 -2.8728E+04  3.0762E+02 -4.2553E+04 -1.1262E+04 -3.8781E+04  2.0490E+03  2.9865E+03  2.4542E+03  0.0000E+00
   4.480p -2.8024E+04  0.0000E+00  2.5538E+04 -1.3241E+05  3.8779E+04  5.2627E+03  0.0000E+00  1.1391E+05  0.0000E+00
  17.531m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0219E+01  5.9263E+01  0.0000E+00  1.5018E-01

  rolling -2.8724E+04  3.1028E+02 -4.2669E+04 -1.1326E+04 -3.8763E+04  2.0142E+03  2.9366E+03  2.4701E+03  0.0000E+00
 averages -2.8908E+04  0.0000E+00  2.8441E+04 -1.3160E+05  3.8762E+04  7.4854E+03  0.0000E+00  1.1380E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9829E+01  9.0217E+01  5.9263E+01  0.0000E+00 -3.9231E-02
 ------------------------------------------------------------------------------------------------------------------------
     4490 -2.8728E+04  3.1004E+02 -4.2662E+04 -1.1187E+04 -3.8910E+04  1.9955E+03  2.9687E+03  2.4710E+03  0.0000E+00
   4.490p -2.7457E+04  0.0000E+00  2.4055E+04 -1.3341E+05  3.8909E+04  5.0869E+03  0.0000E+00  1.1347E+05  0.0000E+00
  17.572m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0219E+01  5.9264E+01  0.0000E+00  2.7115E-01

  rolling -2.8724E+04  3.1040E+02 -4.2674E+04 -1.1315E+04 -3.8775E+04  2.0123E+03  2.9371E+03  2.4669E+03  0.0000E+00
 averages -2.8827E+04  0.0000E+00  2.8207E+04 -1.3174E+05  3.8774E+04  7.3475E+03  0.0000E+00  1.1382E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0217E+01  5.9263E+01  0.0000E+00 -2.1849E-02
 ------------------------------------------------------------------------------------------------------------------------
     4500 -2.8726E+04  3.0936E+02 -4.2629E+04 -1.1230E+04 -3.8869E+04  1.9994E+03  2.9875E+03  2.4825E+03  0.0000E+00
   4.500p -2.8630E+04  0.0000E+00  2.7520E+04 -1.3288E+05  3.8868E+04  7.9786E+03  0.0000E+00  1.1356E+05  0.0000E+00
  17.612m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0219E+01  5.9264E+01  0.0000E+00  2.0397E-02

  rolling -2.8725E+04  3.1041E+02 -4.2675E+04 -1.1304E+04 -3.8792E+04  2.0148E+03  2.9415E+03  2.4645E+03  0.0000E+00
 averages -2.8741E+04  0.0000E+00  2.7950E+04 -1.3188E+05  3.8791E+04  7.2281E+03  0.0000E+00  1.1381E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9830E+01  9.0218E+01  5.9263E+01  0.0000E+00 -3.4778E-03
 ------------------------------------------------------------------------------------------------------------------------
     4510 -2.8727E+04  3.0970E+02 -4.2646E+04 -1.1229E+04 -3.8880E+04  2.0388E+03  2.9288E+03  2.4952E+03  0.0000E+00
   4.510p -2.8581E+04  0.0000E+00  2.7398E+04 -1.3290E+05  3.8877E+04  7.8663E+03  0.0000E+00  1.1355E+05  0.0000E+00
  17.648m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0219E+01  5.9264E+01  0.0000E+00  3.1178E-02

  rolling -2.8725E+04  3.1033E+02 -4.2672E+04 -1.1300E+04 -3.8794E+04  2.0097E+03  2.9496E+03  2.4634E+03  0.0000E+00
 averages -2.8687E+04  0.0000E+00  2.7779E+04 -1.3193E+05  3.8793E+04  7.1269E+03  0.0000E+00  1.1379E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9831E+01  9.0218E+01  5.9263E+01  0.0000E+00  8.1005E-03
 ------------------------------------------------------------------------------------------------------------------------
     4520 -2.8726E+04  3.0768E+02 -4.2554E+04 -1.1255E+04 -3.8748E+04  1.9953E+03  2.9604E+03  2.4941E+03  0.0000E+00
   4.520p -2.8162E+04  0.0000E+00  2.5964E+04 -1.3253E+05  3.8744E+04  6.2071E+03  0.0000E+00  1.1354E+05  0.0000E+00
  17.689m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0218E+01  5.9263E+01  0.0000E+00  1.2027E-01

  rolling -2.8726E+04  3.1021E+02 -4.2667E+04 -1.1295E+04 -3.8796E+04  2.0112E+03  2.9473E+03  2.4651E+03  0.0000E+00
 averages -2.8608E+04  0.0000E+00  2.7531E+04 -1.3199E+05  3.8794E+04  7.0116E+03  0.0000E+00  1.1372E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0218E+01  5.9263E+01  0.0000E+00  2.5043E-02
 ------------------------------------------------------------------------------------------------------------------------
     4530 -2.8722E+04  3.0732E+02 -4.2534E+04 -1.1303E+04 -3.8746E+04  2.0228E+03  3.0123E+03  2.4797E+03  0.0000E+00
   4.530p -2.8777E+04  0.0000E+00  2.7786E+04 -1.3190E+05  3.8740E+04  7.9817E+03  0.0000E+00  1.1296E+05  0.0000E+00
  17.727m  3.2143E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0217E+01  5.9262E+01  0.0000E+00 -1.1549E-02

  rolling -2.8726E+04  3.0996E+02 -4.2656E+04 -1.1293E+04 -3.8794E+04  2.0155E+03  2.9485E+03  2.4667E+03  0.0000E+00
 averages -2.8560E+04  0.0000E+00  2.7364E+04 -1.3202E+05  3.8792E+04  6.8992E+03  0.0000E+00  1.1369E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0218E+01  5.9263E+01  0.0000E+00  3.5314E-02
 ------------------------------------------------------------------------------------------------------------------------
     4540 -2.8724E+04  3.1001E+02 -4.2657E+04 -1.1381E+04 -3.8720E+04  2.0578E+03  2.9318E+03  2.4546E+03  0.0000E+00
   4.540p -2.9749E+04  0.0000E+00  3.0940E+04 -1.3089E+05  3.8716E+04  9.6739E+03  0.0000E+00  1.1344E+05  0.0000E+00
  17.765m  3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9261E+01  0.0000E+00 -2.1866E-01

  rolling -2.8726E+04  3.1001E+02 -4.2658E+04 -1.1292E+04 -3.8799E+04  2.0144E+03  2.9521E+03  2.4670E+03  0.0000E+00
 averages -2.8579E+04  0.0000E+00  2.7425E+04 -1.3203E+05  3.8797E+04  6.9841E+03  0.0000E+00  1.1367E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9832E+01  9.0218E+01  5.9263E+01  0.0000E+00  3.1259E-02
 ------------------------------------------------------------------------------------------------------------------------
     4550 -2.8723E+04  3.1109E+02 -4.2704E+04 -1.1421E+04 -3.8693E+04  1.9987E+03  2.9635E+03  2.4478E+03  0.0000E+00
   4.550p -2.9518E+04  0.0000E+00  3.0345E+04 -1.3032E+05  3.8691E+04  9.0676E+03  0.0000E+00  1.1291E+05  0.0000E+00
  17.806m  3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9261E+01  0.0000E+00 -1.6948E-01

  rolling -2.8726E+04  3.0993E+02 -4.2654E+04 -1.1296E+04 -3.8796E+04  2.0145E+03  2.9568E+03  2.4664E+03  0.0000E+00
 averages -2.8684E+04  0.0000E+00  2.7731E+04 -1.3198E+05  3.8793E+04  7.2922E+03  0.0000E+00  1.1362E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0218E+01  5.9263E+01  0.0000E+00  9.0011E-03
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4560 -2.8725E+04  3.1027E+02 -4.2669E+04 -1.1432E+04 -3.8668E+04  2.0197E+03  2.9631E+03  2.4473E+03  0.0000E+00
   4.560p -3.0189E+04  0.0000E+00  3.2280E+04 -1.3011E+05  3.8667E+04  9.4646E+03  0.0000E+00  1.1426E+05  0.0000E+00
  17.842m  3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9261E+01  0.0000E+00 -3.1232E-01

  rolling -2.8726E+04  3.0982E+02 -4.2650E+04 -1.1301E+04 -3.8792E+04  2.0167E+03  2.9597E+03  2.4660E+03  0.0000E+00
 averages -2.8791E+04  0.0000E+00  2.8044E+04 -1.3192E+05  3.8789E+04  7.5642E+03  0.0000E+00  1.1361E+05  0.0000E+00
           3.2142E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0217E+01  5.9263E+01  0.0000E+00 -1.3917E-02
 ------------------------------------------------------------------------------------------------------------------------
     4570 -2.8726E+04  3.1190E+02 -4.2744E+04 -1.1448E+04 -3.8697E+04  2.0136E+03  2.9197E+03  2.4684E+03  0.0000E+00
   4.570p -3.0530E+04  0.0000E+00  3.3447E+04 -1.2990E+05  3.8696E+04  1.0137E+04  0.0000E+00  1.1451E+05  0.0000E+00
  17.882m  3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0214E+01  5.9261E+01  0.0000E+00 -3.8487E-01

  rolling -2.8726E+04  3.0965E+02 -4.2642E+04 -1.1310E+04 -3.8776E+04  2.0159E+03  2.9608E+03  2.4681E+03  0.0000E+00
 averages -2.8896E+04  0.0000E+00  2.8342E+04 -1.3179E+05  3.8774E+04  7.7517E+03  0.0000E+00  1.1361E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0217E+01  5.9263E+01  0.0000E+00 -3.6257E-02
 ------------------------------------------------------------------------------------------------------------------------
     4580 -2.8728E+04  3.1005E+02 -4.2662E+04 -1.1421E+04 -3.8639E+04  1.9700E+03  2.9331E+03  2.4942E+03  0.0000E+00
   4.580p -2.9879E+04  0.0000E+00  3.1322E+04 -1.3023E+05  3.8635E+04  8.6407E+03  0.0000E+00  1.1428E+05  0.0000E+00
  17.917m  3.2137E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0214E+01  5.9261E+01  0.0000E+00 -2.4560E-01

  rolling -2.8725E+04  3.0977E+02 -4.2647E+04 -1.1324E+04 -3.8765E+04  2.0141E+03  2.9563E+03  2.4716E+03  0.0000E+00
 averages -2.9064E+04  0.0000E+00  2.8859E+04 -1.3160E+05  3.8763E+04  8.0535E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0217E+01  5.9262E+01  0.0000E+00 -7.2195E-02
 ------------------------------------------------------------------------------------------------------------------------
     4590 -2.8727E+04  3.0848E+02 -4.2591E+04 -1.1428E+04 -3.8631E+04  2.0368E+03  2.9184E+03  2.5127E+03  0.0000E+00
   4.590p -2.9687E+04  0.0000E+00  3.0606E+04 -1.3016E+05  3.8628E+04  7.8321E+03  0.0000E+00  1.1430E+05  0.0000E+00
  17.959m  3.2136E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9261E+01  0.0000E+00 -2.0476E-01

  rolling -2.8725E+04  3.0967E+02 -4.2643E+04 -1.1345E+04 -3.8740E+04  2.0147E+03  2.9515E+03  2.4757E+03  0.0000E+00
 averages -2.9285E+04  0.0000E+00  2.9514E+04 -1.3131E+05  3.8737E+04  8.3793E+03  0.0000E+00  1.1371E+05  0.0000E+00
           3.2141E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0216E+01  5.9262E+01  0.0000E+00 -1.1941E-01
 ------------------------------------------------------------------------------------------------------------------------
     4600 -2.8727E+04  3.1030E+02 -4.2672E+04 -1.1403E+04 -3.8734E+04  2.0425E+03  2.9104E+03  2.5124E+03  0.0000E+00
   4.600p -3.0215E+04  0.0000E+00  3.2357E+04 -1.3057E+05  3.8729E+04  9.8031E+03  0.0000E+00  1.1440E+05  0.0000E+00
  17.997m  3.2135E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0215E+01  5.9262E+01  0.0000E+00 -3.1766E-01

  rolling -2.8725E+04  3.0972E+02 -4.2645E+04 -1.1365E+04 -3.8722E+04  2.0163E+03  2.9460E+03  2.4794E+03  0.0000E+00
 averages -2.9460E+04  0.0000E+00  3.0044E+04 -1.3104E+05  3.8719E+04  8.5823E+03  0.0000E+00  1.1379E+05  0.0000E+00
           3.2140E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0216E+01  5.9262E+01  0.0000E+00 -1.5680E-01
 ------------------------------------------------------------------------------------------------------------------------
     4610 -2.8727E+04  3.0960E+02 -4.2641E+04 -1.1395E+04 -3.8642E+04  1.9706E+03  2.9104E+03  2.5154E+03  0.0000E+00
   4.610p -2.9490E+04  0.0000E+00  3.0117E+04 -1.3074E+05  3.8637E+04  9.1757E+03  0.0000E+00  1.1304E+05  0.0000E+00
  18.035m  3.2134E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0215E+01  5.9261E+01  0.0000E+00 -1.6285E-01

  rolling -2.8725E+04  3.0963E+02 -4.2640E+04 -1.1381E+04 -3.8702E+04  2.0159E+03  2.9444E+03  2.4818E+03  0.0000E+00
 averages -2.9585E+04  0.0000E+00  3.0411E+04 -1.3084E+05  3.8699E+04  8.7486E+03  0.0000E+00  1.1380E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9262E+01  0.0000E+00 -1.8350E-01
 ------------------------------------------------------------------------------------------------------------------------
     4620 -2.8726E+04  3.1037E+02 -4.2675E+04 -1.1390E+04 -3.8643E+04  1.9908E+03  2.8660E+03  2.5006E+03  0.0000E+00
   4.620p -2.8133E+04  0.0000E+00  2.6117E+04 -1.3087E+05  3.8639E+04  6.0420E+03  0.0000E+00  1.1231E+05  0.0000E+00
  18.075m  3.2134E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0217E+01  5.9261E+01  0.0000E+00  1.2661E-01

  rolling -2.8725E+04  3.0964E+02 -4.2641E+04 -1.1395E+04 -3.8685E+04  2.0141E+03  2.9423E+03  2.4831E+03  0.0000E+00
 averages -2.9607E+04  0.0000E+00  3.0477E+04 -1.3066E+05  3.8682E+04  8.8073E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2139E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9833E+01  9.0215E+01  5.9261E+01  0.0000E+00 -1.8819E-01
 ------------------------------------------------------------------------------------------------------------------------
     4630 -2.8723E+04  3.0688E+02 -4.2515E+04 -1.1389E+04 -3.8609E+04  2.0243E+03  2.9615E+03  2.4972E+03  0.0000E+00
   4.630p -2.8696E+04  0.0000E+00  2.7503E+04 -1.3093E+05  3.8605E+04  7.2623E+03  0.0000E+00  1.1257E+05  0.0000E+00
  18.111m  3.2135E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9837E+01  9.0217E+01  5.9260E+01  0.0000E+00  5.6698E-03

  rolling -2.8725E+04  3.0980E+02 -4.2648E+04 -1.1405E+04 -3.8673E+04  2.0110E+03  2.9351E+03  2.4841E+03  0.0000E+00
 averages -2.9592E+04  0.0000E+00  3.0447E+04 -1.3053E+05  3.8670E+04  8.7321E+03  0.0000E+00  1.1358E+05  0.0000E+00
           3.2138E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0215E+01  5.9261E+01  0.0000E+00 -1.8495E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4640 -2.8723E+04  3.0891E+02 -4.2606E+04 -1.1395E+04 -3.8651E+04  1.9818E+03  2.9591E+03  2.4986E+03  0.0000E+00
   4.640p -2.9362E+04  0.0000E+00  2.9683E+04 -1.3095E+05  3.8647E+04  1.0108E+04  0.0000E+00  1.1188E+05  0.0000E+00
  18.152m  3.2134E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9838E+01  9.0217E+01  5.9259E+01  0.0000E+00 -1.3631E-01

  rolling -2.8725E+04  3.0973E+02 -4.2645E+04 -1.1410E+04 -3.8664E+04  2.0083E+03  2.9339E+03  2.4874E+03  0.0000E+00
 averages -2.9580E+04  0.0000E+00  3.0403E+04 -1.3049E+05  3.8661E+04  8.7254E+03  0.0000E+00  1.1351E+05  0.0000E+00
           3.2137E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9834E+01  9.0215E+01  5.9261E+01  0.0000E+00 -1.8234E-01
 ------------------------------------------------------------------------------------------------------------------------
     4650 -2.8720E+04  3.0511E+02 -4.2432E+04 -1.1425E+04 -3.8457E+04  2.0312E+03  2.9086E+03  2.5101E+03  0.0000E+00
   4.650p -2.9243E+04  0.0000E+00  2.8994E+04 -1.3050E+05  3.8455E+04  9.2586E+03  0.0000E+00  1.1179E+05  0.0000E+00
  18.187m  3.2134E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9839E+01  9.0219E+01  5.9258E+01  0.0000E+00 -1.1167E-01

  rolling -2.8725E+04  3.0932E+02 -4.2627E+04 -1.1411E+04 -3.8649E+04  2.0078E+03  2.9322E+03  2.4927E+03  0.0000E+00
 averages -2.9555E+04  0.0000E+00  3.0294E+04 -1.3051E+05  3.8645E+04  8.7813E+03  0.0000E+00  1.1337E+05  0.0000E+00
           3.2136E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0216E+01  5.9261E+01  0.0000E+00 -1.7714E-01
 ------------------------------------------------------------------------------------------------------------------------
     4660 -2.8716E+04  3.0681E+02 -4.2505E+04 -1.1418E+04 -3.8579E+04  2.0332E+03  2.9319E+03  2.5266E+03  0.0000E+00
   4.660p -2.9044E+04  0.0000E+00  2.8561E+04 -1.3058E+05  3.8575E+04  7.8852E+03  0.0000E+00  1.1268E+05  0.0000E+00
  18.227m  3.2133E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9840E+01  9.0219E+01  5.9258E+01  0.0000E+00 -6.9971E-02

  rolling -2.8725E+04  3.0889E+02 -4.2607E+04 -1.1411E+04 -3.8630E+04  2.0067E+03  2.9272E+03  2.5001E+03  0.0000E+00
 averages -2.9478E+04  0.0000E+00  3.0023E+04 -1.3053E+05  3.8626E+04  8.6901E+03  0.0000E+00  1.1324E+05  0.0000E+00
           3.2135E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9835E+01  9.0216E+01  5.9260E+01  0.0000E+00 -1.6070E-01
 ------------------------------------------------------------------------------------------------------------------------
     4670 -2.8717E+04  3.0867E+02 -4.2589E+04 -1.1430E+04 -3.8648E+04  1.9736E+03  2.9760E+03  2.5391E+03  0.0000E+00
   4.670p -3.0138E+04  0.0000E+00  3.2009E+04 -1.3032E+05  3.8643E+04  8.7874E+03  0.0000E+00  1.1490E+05  0.0000E+00
  18.263m  3.2132E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9840E+01  9.0219E+01  5.9259E+01  0.0000E+00 -3.0337E-01

  rolling -2.8724E+04  3.0854E+02 -4.2590E+04 -1.1409E+04 -3.8627E+04  2.0090E+03  2.9283E+03  2.5077E+03  0.0000E+00
 averages -2.9389E+04  0.0000E+00  2.9728E+04 -1.3059E+05  3.8623E+04  8.5286E+03  0.0000E+00  1.1317E+05  0.0000E+00
           3.2135E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9836E+01  9.0217E+01  5.9260E+01  0.0000E+00 -1.4190E-01
 ------------------------------------------------------------------------------------------------------------------------
     4680 -2.8713E+04  3.0598E+02 -4.2464E+04 -1.1400E+04 -3.8621E+04  2.0486E+03  2.9695E+03  2.5393E+03  0.0000E+00
   4.680p -3.0463E+04  0.0000E+00  3.2755E+04 -1.3069E+05  3.8616E+04  9.8778E+03  0.0000E+00  1.1495E+05  0.0000E+00
  18.304m  3.2131E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9840E+01  9.0219E+01  5.9258E+01  0.0000E+00 -3.7359E-01

  rolling -2.8722E+04  3.0811E+02 -4.2569E+04 -1.1407E+04 -3.8621E+04  2.0101E+03  2.9347E+03  2.5135E+03  0.0000E+00
 averages -2.9409E+04  0.0000E+00  2.9754E+04 -1.3063E+05  3.8617E+04  8.5301E+03  0.0000E+00  1.1323E+05  0.0000E+00
           3.2134E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9837E+01  9.0217E+01  5.9260E+01  0.0000E+00 -1.4652E-01
 ------------------------------------------------------------------------------------------------------------------------
     4690 -2.8712E+04  3.0794E+02 -4.2551E+04 -1.1436E+04 -3.8622E+04  1.9891E+03  2.9827E+03  2.5355E+03  0.0000E+00
   4.690p -3.0318E+04  0.0000E+00  3.2499E+04 -1.3020E+05  3.8617E+04  9.4141E+03  0.0000E+00  1.1466E+05  0.0000E+00
  18.339m  3.2129E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9841E+01  9.0219E+01  5.9258E+01  0.0000E+00 -3.4290E-01

  rolling -2.8721E+04  3.0809E+02 -4.2567E+04 -1.1406E+04 -3.8622E+04  2.0095E+03  2.9355E+03  2.5166E+03  0.0000E+00
 averages -2.9475E+04  0.0000E+00  2.9955E+04 -1.3066E+05  3.8618E+04  8.6983E+03  0.0000E+00  1.1330E+05  0.0000E+00
           3.2134E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9838E+01  9.0217E+01  5.9260E+01  0.0000E+00 -1.6095E-01
 ------------------------------------------------------------------------------------------------------------------------
     4700 -2.8710E+04  3.0905E+02 -4.2599E+04 -1.1446E+04 -3.8682E+04  1.9871E+03  3.0209E+03  2.5211E+03  0.0000E+00
   4.700p -2.9593E+04  0.0000E+00  3.0429E+04 -1.3011E+05  3.8677E+04  8.8798E+03  0.0000E+00  1.1298E+05  0.0000E+00
  18.379m  3.2128E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0217E+01  5.9257E+01  0.0000E+00 -1.8851E-01

  rolling -2.8719E+04  3.0791E+02 -4.2557E+04 -1.1411E+04 -3.8616E+04  2.0071E+03  2.9440E+03  2.5182E+03  0.0000E+00
 averages -2.9497E+04  0.0000E+00  3.0009E+04 -1.3061E+05  3.8612E+04  8.7352E+03  0.0000E+00  1.1327E+05  0.0000E+00
           3.2133E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9838E+01  9.0218E+01  5.9259E+01  0.0000E+00 -1.6592E-01
 ------------------------------------------------------------------------------------------------------------------------
     4710 -2.8710E+04  3.1017E+02 -4.2650E+04 -1.1426E+04 -3.8749E+04  2.0186E+03  2.9880E+03  2.5188E+03  0.0000E+00
   4.710p -2.9187E+04  0.0000E+00  2.9308E+04 -1.3037E+05  3.8744E+04  8.4249E+03  0.0000E+00  1.1251E+05  0.0000E+00
  18.420m  3.2128E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0218E+01  5.9256E+01  0.0000E+00 -1.0163E-01

  rolling -2.8718E+04  3.0799E+02 -4.2559E+04 -1.1413E+04 -3.8621E+04  2.0052E+03  2.9512E+03  2.5185E+03  0.0000E+00
 averages -2.9415E+04  0.0000E+00  2.9776E+04 -1.3058E+05  3.8616E+04  8.6043E+03  0.0000E+00  1.1314E+05  0.0000E+00
           3.2132E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9839E+01  9.0218E+01  5.9259E+01  0.0000E+00 -1.4890E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4720 -2.8709E+04  3.0896E+02 -4.2594E+04 -1.1432E+04 -3.8661E+04  2.0007E+03  2.9921E+03  2.5060E+03  0.0000E+00
   4.720p -2.9294E+04  0.0000E+00  2.9527E+04 -1.3033E+05  3.8657E+04  8.5636E+03  0.0000E+00  1.1263E+05  0.0000E+00
  18.455m  3.2127E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0219E+01  5.9256E+01  0.0000E+00 -1.2496E-01

  rolling -2.8716E+04  3.0802E+02 -4.2559E+04 -1.1419E+04 -3.8628E+04  2.0078E+03  2.9611E+03  2.5191E+03  0.0000E+00
 averages -2.9490E+04  0.0000E+00  3.0009E+04 -1.3050E+05  3.8623E+04  8.7093E+03  0.0000E+00  1.1318E+05  0.0000E+00
           3.2131E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9840E+01  9.0218E+01  5.9258E+01  0.0000E+00 -1.6526E-01
 ------------------------------------------------------------------------------------------------------------------------
     4730 -2.8710E+04  3.0937E+02 -4.2614E+04 -1.1379E+04 -3.8744E+04  1.9870E+03  3.0177E+03  2.5052E+03  0.0000E+00
   4.730p -2.9538E+04  0.0000E+00  3.0293E+04 -1.3107E+05  3.8742E+04  9.5819E+03  0.0000E+00  1.1304E+05  0.0000E+00
  18.495m  3.2126E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0218E+01  5.9256E+01  0.0000E+00 -1.7679E-01

  rolling -2.8715E+04  3.0807E+02 -4.2560E+04 -1.1421E+04 -3.8634E+04  2.0072E+03  2.9681E+03  2.5195E+03  0.0000E+00
 averages -2.9591E+04  0.0000E+00  3.0320E+04 -1.3049E+05  3.8630E+04  8.9966E+03  0.0000E+00  1.1318E+05  0.0000E+00
           3.2131E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9841E+01  9.0218E+01  5.9258E+01  0.0000E+00 -1.8703E-01
 ------------------------------------------------------------------------------------------------------------------------
     4740 -2.8709E+04  3.0901E+02 -4.2597E+04 -1.1373E+04 -3.8783E+04  2.0210E+03  3.0304E+03  2.5078E+03  0.0000E+00
   4.740p -2.9806E+04  0.0000E+00  3.1067E+04 -1.3118E+05  3.8779E+04  9.7084E+03  0.0000E+00  1.1375E+05  0.0000E+00
  18.531m  3.2125E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0219E+01  5.9256E+01  0.0000E+00 -2.3417E-01

  rolling -2.8713E+04  3.0816E+02 -4.2562E+04 -1.1420E+04 -3.8648E+04  2.0085E+03  2.9766E+03  2.5206E+03  0.0000E+00
 averages -2.9663E+04  0.0000E+00  3.0546E+04 -1.3050E+05  3.8644E+04  9.0753E+03  0.0000E+00  1.1332E+05  0.0000E+00
           3.2130E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9841E+01  9.0219E+01  5.9257E+01  0.0000E+00 -2.0260E-01
 ------------------------------------------------------------------------------------------------------------------------
     4750 -2.8709E+04  3.0856E+02 -4.2576E+04 -1.1298E+04 -3.8762E+04  2.0214E+03  2.9609E+03  2.5016E+03  0.0000E+00
   4.750p -2.9078E+04  0.0000E+00  2.8844E+04 -1.3217E+05  3.8756E+04  9.0009E+03  0.0000E+00  1.1325E+05  0.0000E+00
  18.571m  3.2125E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0219E+01  5.9254E+01  0.0000E+00 -7.8895E-02

  rolling -2.8712E+04  3.0839E+02 -4.2572E+04 -1.1411E+04 -3.8670E+04  2.0067E+03  2.9824E+03  2.5207E+03  0.0000E+00
 averages -2.9653E+04  0.0000E+00  3.0541E+04 -1.3061E+05  3.8666E+04  9.0034E+03  0.0000E+00  1.1348E+05  0.0000E+00
           3.2129E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0219E+01  5.9257E+01  0.0000E+00 -2.0076E-01
 ------------------------------------------------------------------------------------------------------------------------
     4760 -2.8707E+04  3.0913E+02 -4.2600E+04 -1.1266E+04 -3.8758E+04  1.9719E+03  2.9671E+03  2.4844E+03  0.0000E+00
   4.760p -2.9013E+04  0.0000E+00  2.8701E+04 -1.3261E+05  3.8751E+04  8.9456E+03  0.0000E+00  1.1361E+05  0.0000E+00
  18.609m  3.2124E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0218E+01  5.9254E+01  0.0000E+00 -6.5108E-02

  rolling -2.8711E+04  3.0859E+02 -4.2580E+04 -1.1396E+04 -3.8697E+04  2.0068E+03  2.9887E+03  2.5180E+03  0.0000E+00
 averages -2.9656E+04  0.0000E+00  3.0574E+04 -1.3080E+05  3.8692E+04  9.0727E+03  0.0000E+00  1.1361E+05  0.0000E+00
           3.2128E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0218E+01  5.9257E+01  0.0000E+00 -2.0180E-01
 ------------------------------------------------------------------------------------------------------------------------
     4770 -2.8707E+04  3.0952E+02 -4.2617E+04 -1.1295E+04 -3.8787E+04  2.0019E+03  2.9854E+03  2.4776E+03  0.0000E+00
   4.770p -2.9236E+04  0.0000E+00  2.9408E+04 -1.3230E+05  3.8781E+04  9.3378E+03  0.0000E+00  1.1359E+05  0.0000E+00
  18.647m  3.2124E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9841E+01  9.0218E+01  5.9254E+01  0.0000E+00 -1.1295E-01

  rolling -2.8710E+04  3.0875E+02 -4.2586E+04 -1.1381E+04 -3.8710E+04  2.0024E+03  2.9900E+03  2.5126E+03  0.0000E+00
 averages -2.9597E+04  0.0000E+00  3.0412E+04 -1.3102E+05  3.8705E+04  9.1584E+03  0.0000E+00  1.1357E+05  0.0000E+00
           3.2127E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0218E+01  5.9256E+01  0.0000E+00 -1.8932E-01
 ------------------------------------------------------------------------------------------------------------------------
     4780 -2.8707E+04  3.0909E+02 -4.2598E+04 -1.1301E+04 -3.8782E+04  2.0169E+03  2.9846E+03  2.4834E+03  0.0000E+00
   4.780p -2.9475E+04  0.0000E+00  3.0085E+04 -1.3228E+05  3.8779E+04  9.3467E+03  0.0000E+00  1.1424E+05  0.0000E+00
  18.684m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0219E+01  5.9254E+01  0.0000E+00 -1.6387E-01

  rolling -2.8709E+04  3.0906E+02 -4.2599E+04 -1.1371E+04 -3.8726E+04  2.0020E+03  2.9897E+03  2.5064E+03  0.0000E+00
 averages -2.9504E+04  0.0000E+00  3.0163E+04 -1.3117E+05  3.8721E+04  9.1426E+03  0.0000E+00  1.1347E+05  0.0000E+00
           3.2126E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0218E+01  5.9256E+01  0.0000E+00 -1.6962E-01
 ------------------------------------------------------------------------------------------------------------------------
     4790 -2.8705E+04  3.0692E+02 -4.2499E+04 -1.1222E+04 -3.8754E+04  1.9897E+03  2.9709E+03  2.5171E+03  0.0000E+00
   4.790p -2.8906E+04  0.0000E+00  2.8188E+04 -1.3335E+05  3.8748E+04  9.1883E+03  0.0000E+00  1.1360E+05  0.0000E+00
  18.725m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9841E+01  9.0218E+01  5.9254E+01  0.0000E+00 -4.2773E-02

  rolling -2.8709E+04  3.0902E+02 -4.2597E+04 -1.1354E+04 -3.8740E+04  2.0035E+03  2.9917E+03  2.5028E+03  0.0000E+00
 averages -2.9384E+04  0.0000E+00  2.9801E+04 -1.3142E+05  3.8735E+04  9.1120E+03  0.0000E+00  1.1338E+05  0.0000E+00
           3.2126E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0218E+01  5.9255E+01  0.0000E+00 -1.4409E-01
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4800 -2.8702E+04  3.0756E+02 -4.2524E+04 -1.1206E+04 -3.8788E+04  2.0086E+03  2.9302E+03  2.5323E+03  0.0000E+00
   4.800p -2.8632E+04  0.0000E+00  2.7436E+04 -1.3356E+05  3.8781E+04  8.1929E+03  0.0000E+00  1.1402E+05  0.0000E+00
  18.760m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0220E+01  5.9254E+01  0.0000E+00  1.4811E-02

  rolling -2.8708E+04  3.0893E+02 -4.2592E+04 -1.1329E+04 -3.8753E+04  2.0010E+03  2.9869E+03  2.5027E+03  0.0000E+00
 averages -2.9248E+04  0.0000E+00  2.9389E+04 -1.3178E+05  3.8748E+04  9.0632E+03  0.0000E+00  1.1336E+05  0.0000E+00
           3.2125E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0218E+01  5.9255E+01  0.0000E+00 -1.1532E-01
 ------------------------------------------------------------------------------------------------------------------------
     4810 -2.8700E+04  3.0744E+02 -4.2517E+04 -1.1236E+04 -3.8749E+04  2.0152E+03  2.9297E+03  2.5227E+03  0.0000E+00
   4.810p -2.8293E+04  0.0000E+00  2.6413E+04 -1.3316E+05  3.8742E+04  7.0352E+03  0.0000E+00  1.1380E+05  0.0000E+00
  18.800m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0222E+01  5.9253E+01  0.0000E+00  8.6927E-02

  rolling -2.8707E+04  3.0869E+02 -4.2580E+04 -1.1309E+04 -3.8758E+04  2.0042E+03  2.9790E+03  2.5039E+03  0.0000E+00
 averages -2.9174E+04  0.0000E+00  2.9145E+04 -1.3207E+05  3.8752E+04  8.9553E+03  0.0000E+00  1.1351E+05  0.0000E+00
           3.2125E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0219E+01  5.9255E+01  0.0000E+00 -9.9549E-02
 ------------------------------------------------------------------------------------------------------------------------
     4820 -2.8700E+04  3.0959E+02 -4.2613E+04 -1.1319E+04 -3.8727E+04  1.9615E+03  2.9738E+03  2.4974E+03  0.0000E+00
   4.820p -2.8733E+04  0.0000E+00  2.7926E+04 -1.3203E+05  3.8719E+04  7.3617E+03  0.0000E+00  1.1387E+05  0.0000E+00
  18.836m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0223E+01  5.9253E+01  0.0000E+00 -7.0320E-03

  rolling -2.8706E+04  3.0859E+02 -4.2575E+04 -1.1293E+04 -3.8760E+04  2.0014E+03  2.9736E+03  2.5032E+03  0.0000E+00
 averages -2.9097E+04  0.0000E+00  2.8911E+04 -1.3231E+05  3.8754E+04  8.8212E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2124E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9842E+01  9.0219E+01  5.9254E+01  0.0000E+00 -8.3502E-02
 ------------------------------------------------------------------------------------------------------------------------
     4830 -2.8699E+04  3.1066E+02 -4.2661E+04 -1.1385E+04 -3.8739E+04  2.0484E+03  2.9276E+03  2.4869E+03  0.0000E+00
   4.830p -2.9109E+04  0.0000E+00  2.9153E+04 -1.3117E+05  3.8732E+04  8.3613E+03  0.0000E+00  1.1323E+05  0.0000E+00
  18.877m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0224E+01  5.9253E+01  0.0000E+00 -8.7440E-02

  rolling -2.8705E+04  3.0872E+02 -4.2579E+04 -1.1289E+04 -3.8765E+04  2.0025E+03  2.9702E+03  2.5021E+03  0.0000E+00
 averages -2.9061E+04  0.0000E+00  2.8817E+04 -1.3238E+05  3.8759E+04  8.7079E+03  0.0000E+00  1.1373E+05  0.0000E+00
           3.2124E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0220E+01  5.9254E+01  0.0000E+00 -7.6029E-02
 ------------------------------------------------------------------------------------------------------------------------
     4840 -2.8700E+04  3.1168E+02 -4.2708E+04 -1.1411E+04 -3.8724E+04  2.0022E+03  2.9498E+03  2.4747E+03  0.0000E+00
   4.840p -2.9072E+04  0.0000E+00  2.9131E+04 -1.3085E+05  3.8719E+04  7.8031E+03  0.0000E+00  1.1346E+05  0.0000E+00
  18.915m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0224E+01  5.9252E+01  0.0000E+00 -7.9422E-02

  rolling -2.8704E+04  3.0892E+02 -4.2587E+04 -1.1292E+04 -3.8759E+04  2.0046E+03  2.9592E+03  2.4992E+03  0.0000E+00
 averages -2.8991E+04  0.0000E+00  2.8626E+04 -1.3237E+05  3.8753E+04  8.5451E+03  0.0000E+00  1.1370E+05  0.0000E+00
           3.2124E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0220E+01  5.9254E+01  0.0000E+00 -6.1145E-02
 ------------------------------------------------------------------------------------------------------------------------
     4850 -2.8702E+04  3.1145E+02 -4.2699E+04 -1.1359E+04 -3.8771E+04  1.9855E+03  2.9535E+03  2.4915E+03  0.0000E+00
   4.850p -2.8436E+04  0.0000E+00  2.7196E+04 -1.3151E+05  3.8766E+04  6.9917E+03  0.0000E+00  1.1294E+05  0.0000E+00
  18.952m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0224E+01  5.9251E+01  0.0000E+00  5.6808E-02

  rolling -2.8703E+04  3.0919E+02 -4.2599E+04 -1.1296E+04 -3.8758E+04  2.0025E+03  2.9556E+03  2.4970E+03  0.0000E+00
 averages -2.8924E+04  0.0000E+00  2.8453E+04 -1.3232E+05  3.8752E+04  8.3465E+03  0.0000E+00  1.1368E+05  0.0000E+00
           3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0221E+01  5.9253E+01  0.0000E+00 -4.7048E-02
 ------------------------------------------------------------------------------------------------------------------------
     4860 -2.8703E+04  3.1055E+02 -4.2660E+04 -1.1320E+04 -3.8783E+04  1.9823E+03  2.9586E+03  2.5023E+03  0.0000E+00
   4.860p -2.8899E+04  0.0000E+00  2.8500E+04 -1.3199E+05  3.8780E+04  7.9081E+03  0.0000E+00  1.1380E+05  0.0000E+00
  18.990m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0225E+01  5.9250E+01  0.0000E+00 -4.1709E-02

  rolling -2.8703E+04  3.0939E+02 -4.2607E+04 -1.1302E+04 -3.8759E+04  1.9998E+03  2.9560E+03  2.4974E+03  0.0000E+00
 averages -2.8878E+04  0.0000E+00  2.8334E+04 -1.3226E+05  3.8753E+04  8.1845E+03  0.0000E+00  1.1366E+05  0.0000E+00
           3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0221E+01  5.9253E+01  0.0000E+00 -3.7359E-02
 ------------------------------------------------------------------------------------------------------------------------
     4870 -2.8703E+04  3.0969E+02 -4.2621E+04 -1.1297E+04 -3.8791E+04  2.0024E+03  2.9399E+03  2.5247E+03  0.0000E+00
   4.870p -2.9441E+04  0.0000E+00  3.0050E+04 -1.3230E+05  3.8788E+04  9.9061E+03  0.0000E+00  1.1366E+05  0.0000E+00
  19.031m  3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9846E+01  9.0226E+01  5.9250E+01  0.0000E+00 -1.5750E-01

  rolling -2.8702E+04  3.0944E+02 -4.2609E+04 -1.1304E+04 -3.8762E+04  2.0020E+03  2.9536E+03  2.5011E+03  0.0000E+00
 averages -2.8890E+04  0.0000E+00  2.8376E+04 -1.3224E+05  3.8756E+04  8.1744E+03  0.0000E+00  1.1368E+05  0.0000E+00
           3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9843E+01  9.0222E+01  5.9252E+01  0.0000E+00 -4.0002E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4880 -2.8703E+04  3.1013E+02 -4.2641E+04 -1.1318E+04 -3.8785E+04  2.0100E+03  2.9356E+03  2.5167E+03  0.0000E+00
   4.880p -2.9413E+04  0.0000E+00  3.0006E+04 -1.3204E+05  3.8782E+04  9.8150E+03  0.0000E+00  1.1345E+05  0.0000E+00
  19.067m  3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9846E+01  9.0225E+01  5.9249E+01  0.0000E+00 -1.5162E-01

  rolling -2.8702E+04  3.0942E+02 -4.2608E+04 -1.1304E+04 -3.8760E+04  2.0006E+03  2.9509E+03  2.5054E+03  0.0000E+00
 averages -2.8902E+04  0.0000E+00  2.8411E+04 -1.3223E+05  3.8754E+04  8.2478E+03  0.0000E+00  1.1364E+05  0.0000E+00
           3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0223E+01  5.9252E+01  0.0000E+00 -4.2685E-02
 ------------------------------------------------------------------------------------------------------------------------
     4890 -2.8704E+04  3.1005E+02 -4.2638E+04 -1.1277E+04 -3.8821E+04  1.9992E+03  2.9490E+03  2.5114E+03  0.0000E+00
   4.890p -2.8357E+04  0.0000E+00  2.6830E+04 -1.3260E+05  3.8817E+04  7.9044E+03  0.0000E+00  1.1271E+05  0.0000E+00
  19.106m  3.2121E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0225E+01  5.9249E+01  0.0000E+00  7.3880E-02

  rolling -2.8702E+04  3.0967E+02 -4.2619E+04 -1.1309E+04 -3.8766E+04  2.0016E+03  2.9478E+03  2.5066E+03  0.0000E+00
 averages -2.8870E+04  0.0000E+00  2.8341E+04 -1.3217E+05  3.8760E+04  8.1956E+03  0.0000E+00  1.1355E+05  0.0000E+00
           3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0224E+01  5.9252E+01  0.0000E+00 -3.6059E-02
 ------------------------------------------------------------------------------------------------------------------------
     4900 -2.8702E+04  3.0794E+02 -4.2542E+04 -1.1228E+04 -3.8836E+04  2.0272E+03  3.0050E+03  2.4896E+03  0.0000E+00
   4.900p -2.8368E+04  0.0000E+00  2.6676E+04 -1.3321E+05  3.8831E+04  7.8400E+03  0.0000E+00  1.1321E+05  0.0000E+00
  19.142m  3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0226E+01  5.9248E+01  0.0000E+00  7.1356E-02

  rolling -2.8702E+04  3.0984E+02 -4.2626E+04 -1.1314E+04 -3.8770E+04  2.0018E+03  2.9517E+03  2.5040E+03  0.0000E+00
 averages -2.8819E+04  0.0000E+00  2.8201E+04 -1.3210E+05  3.8765E+04  8.0863E+03  0.0000E+00  1.1345E+05  0.0000E+00
           3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0224E+01  5.9251E+01  0.0000E+00 -2.4988E-02
 ------------------------------------------------------------------------------------------------------------------------
     4910 -2.8701E+04  3.0984E+02 -4.2626E+04 -1.1178E+04 -3.8873E+04  1.9822E+03  2.9627E+03  2.4799E+03  0.0000E+00
   4.910p -2.8722E+04  0.0000E+00  2.7914E+04 -1.3388E+05  3.8871E+04  8.5615E+03  0.0000E+00  1.1436E+05  0.0000E+00
  19.183m  3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0225E+01  5.9248E+01  0.0000E+00 -4.5399E-03

  rolling -2.8702E+04  3.0998E+02 -4.2633E+04 -1.1311E+04 -3.8779E+04  2.0018E+03  2.9565E+03  2.4991E+03  0.0000E+00
 averages -2.8833E+04  0.0000E+00  2.8255E+04 -1.3213E+05  3.8774E+04  8.1718E+03  0.0000E+00  1.1344E+05  0.0000E+00
           3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0225E+01  5.9251E+01  0.0000E+00 -2.7994E-02
 ------------------------------------------------------------------------------------------------------------------------
     4920 -2.8700E+04  3.0855E+02 -4.2566E+04 -1.1220E+04 -3.8891E+04  2.0287E+03  3.0272E+03  2.4896E+03  0.0000E+00
   4.920p -2.8825E+04  0.0000E+00  2.8108E+04 -1.3334E+05  3.8891E+04  7.5118E+03  0.0000E+00  1.1504E+05  0.0000E+00
  19.220m  3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0226E+01  5.9247E+01  0.0000E+00 -2.6679E-02

  rolling -2.8702E+04  3.1000E+02 -4.2633E+04 -1.1303E+04 -3.8794E+04  2.0046E+03  2.9620E+03  2.4968E+03  0.0000E+00
 averages -2.8868E+04  0.0000E+00  2.8364E+04 -1.3224E+05  3.8790E+04  8.2826E+03  0.0000E+00  1.1353E+05  0.0000E+00
           3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0225E+01  5.9250E+01  0.0000E+00 -3.5579E-02
 ------------------------------------------------------------------------------------------------------------------------
     4930 -2.8700E+04  3.1086E+02 -4.2671E+04 -1.1211E+04 -3.8936E+04  2.0165E+03  2.9571E+03  2.5028E+03  0.0000E+00
   4.930p -2.8022E+04  0.0000E+00  2.5908E+04 -1.3351E+05  3.8938E+04  6.1709E+03  0.0000E+00  1.1431E+05  0.0000E+00
  19.258m  3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0227E+01  5.9246E+01  0.0000E+00  1.4469E-01

  rolling -2.8702E+04  3.0997E+02 -4.2632E+04 -1.1288E+04 -3.8811E+04  2.0040E+03  2.9657E+03  2.4975E+03  0.0000E+00
 averages -2.8794E+04  0.0000E+00  2.8137E+04 -1.3244E+05  3.8808E+04  8.1399E+03  0.0000E+00  1.1362E+05  0.0000E+00
           3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0225E+01  5.9249E+01  0.0000E+00 -1.9613E-02
 ------------------------------------------------------------------------------------------------------------------------
     4940 -2.8701E+04  3.1069E+02 -4.2664E+04 -1.1209E+04 -3.8926E+04  1.9865E+03  2.9759E+03  2.5093E+03  0.0000E+00
   4.940p -2.7987E+04  0.0000E+00  2.5784E+04 -1.3356E+05  3.8928E+04  6.6375E+03  0.0000E+00  1.1378E+05  0.0000E+00
  19.296m  3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0229E+01  5.9246E+01  0.0000E+00  1.5237E-01

  rolling -2.8702E+04  3.0989E+02 -4.2629E+04 -1.1268E+04 -3.8833E+04  2.0037E+03  2.9686E+03  2.5002E+03  0.0000E+00
 averages -2.8687E+04  0.0000E+00  2.7809E+04 -1.3270E+05  3.8831E+04  7.9657E+03  0.0000E+00  1.1371E+05  0.0000E+00
           3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0226E+01  5.9249E+01  0.0000E+00  3.1729E-03
 ------------------------------------------------------------------------------------------------------------------------
     4950 -2.8701E+04  3.1081E+02 -4.2670E+04 -1.1151E+04 -3.8966E+04  1.9874E+03  2.9402E+03  2.5195E+03  0.0000E+00
   4.950p -2.7263E+04  0.0000E+00  2.3623E+04 -1.3437E+05  3.8967E+04  6.7227E+03  0.0000E+00  1.1231E+05  0.0000E+00
  19.335m  3.2124E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0230E+01  5.9245E+01  0.0000E+00  3.0696E-01

  rolling -2.8702E+04  3.0978E+02 -4.2624E+04 -1.1248E+04 -3.8851E+04  2.0016E+03  2.9707E+03  2.5035E+03  0.0000E+00
 averages -2.8572E+04  0.0000E+00  2.7455E+04 -1.3297E+05  3.8850E+04  7.9109E+03  0.0000E+00  1.1367E+05  0.0000E+00
           3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0226E+01  5.9248E+01  0.0000E+00  2.7704E-02
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     4960 -2.8702E+04  3.1106E+02 -4.2681E+04 -1.1112E+04 -3.9041E+04  2.0001E+03  2.9472E+03  2.5240E+03  0.0000E+00
   4.960p -2.7675E+04  0.0000E+00  2.4879E+04 -1.3485E+05  3.9041E+04  6.6926E+03  0.0000E+00  1.1400E+05  0.0000E+00
  19.372m  3.2125E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0231E+01  5.9245E+01  0.0000E+00  2.1911E-01

  rolling -2.8702E+04  3.0979E+02 -4.2624E+04 -1.1228E+04 -3.8875E+04  2.0035E+03  2.9696E+03  2.5061E+03  0.0000E+00
 averages -2.8448E+04  0.0000E+00  2.7085E+04 -1.3326E+05  3.8874E+04  7.8410E+03  0.0000E+00  1.1363E+05  0.0000E+00
           3.2122E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0227E+01  5.9248E+01  0.0000E+00  5.4086E-02
 ------------------------------------------------------------------------------------------------------------------------
     4970 -2.8702E+04  3.0980E+02 -4.2625E+04 -1.1054E+04 -3.9065E+04  2.0136E+03  2.9569E+03  2.5237E+03  0.0000E+00
   4.970p -2.7994E+04  0.0000E+00  2.5722E+04 -1.3564E+05  3.9065E+04  7.8741E+03  0.0000E+00  1.1442E+05  0.0000E+00
  19.412m  3.2126E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0231E+01  5.9244E+01  0.0000E+00  1.5110E-01

  rolling -2.8701E+04  3.0983E+02 -4.2626E+04 -1.1206E+04 -3.8901E+04  2.0041E+03  2.9698E+03  2.5068E+03  0.0000E+00
 averages -2.8323E+04  0.0000E+00  2.6714E+04 -1.3356E+05  3.8900E+04  7.6679E+03  0.0000E+00  1.1370E+05  0.0000E+00
           3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0227E+01  5.9247E+01  0.0000E+00  8.0752E-02
 ------------------------------------------------------------------------------------------------------------------------
     4980 -2.8703E+04  3.1223E+02 -4.2735E+04 -1.1049E+04 -3.9145E+04  1.9875E+03  2.9550E+03  2.5166E+03  0.0000E+00
   4.980p -2.8169E+04  0.0000E+00  2.6462E+04 -1.3570E+05  3.9143E+04  7.4937E+03  0.0000E+00  1.1553E+05  0.0000E+00
  19.451m  3.2126E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9844E+01  9.0231E+01  5.9244E+01  0.0000E+00  1.1397E-01

  rolling -2.8701E+04  3.0995E+02 -4.2631E+04 -1.1179E+04 -3.8934E+04  2.0046E+03  2.9705E+03  2.5067E+03  0.0000E+00
 averages -2.8178E+04  0.0000E+00  2.6290E+04 -1.3392E+05  3.8933E+04  7.4464E+03  0.0000E+00  1.1383E+05  0.0000E+00
           3.2123E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0228E+01  5.9246E+01  0.0000E+00  1.1163E-01
 ------------------------------------------------------------------------------------------------------------------------
     4990 -2.8705E+04  3.1161E+02 -4.2709E+04 -1.1052E+04 -3.9090E+04  2.0001E+03  2.9288E+03  2.5046E+03  0.0000E+00
   4.990p -2.7411E+04  0.0000E+00  2.4127E+04 -1.3566E+05  3.9089E+04  5.7782E+03  0.0000E+00  1.1492E+05  0.0000E+00
  19.488m  3.2127E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0231E+01  5.9244E+01  0.0000E+00  2.7615E-01

  rolling -2.8702E+04  3.1017E+02 -4.2641E+04 -1.1155E+04 -3.8966E+04  2.0021E+03  2.9705E+03  2.5066E+03  0.0000E+00
 averages -2.8078E+04  0.0000E+00  2.6008E+04 -1.3426E+05  3.8965E+04  7.2191E+03  0.0000E+00  1.1408E+05  0.0000E+00
           3.2124E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0228E+01  5.9246E+01  0.0000E+00  1.3314E-01
 ------------------------------------------------------------------------------------------------------------------------
     5000 -2.8707E+04  3.1296E+02 -4.2772E+04 -1.1068E+04 -3.9117E+04  1.9920E+03  2.9454E+03  2.4766E+03  0.0000E+00
   5.000p -2.7415E+04  0.0000E+00  2.4257E+04 -1.3543E+05  3.9116E+04  6.5152E+03  0.0000E+00  1.1406E+05  0.0000E+00
  19.528m  3.2128E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0231E+01  5.9244E+01  0.0000E+00  2.7558E-01

  rolling -2.8702E+04  3.1056E+02 -4.2659E+04 -1.1136E+04 -3.8992E+04  2.0012E+03  2.9623E+03  2.5051E+03  0.0000E+00
 averages -2.7982E+04  0.0000E+00  2.5755E+04 -1.3452E+05  3.8992E+04  7.0450E+03  0.0000E+00  1.1424E+05  0.0000E+00
           3.2124E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9845E+01  9.0229E+01  5.9245E+01  0.0000E+00  1.5360E-01
 ------------------------------------------------------------------------------------------------------------------------


 run terminating. elapsed cpu time =   1.17170E+03, job time =   2.000h, close time =  200.00s



 run terminated after    5000 steps. final averages calculated over    5000 steps.


 ------------------------------------------------------------------------------------------------------------------------

     step     eng_tot    temp_tot     eng_cfg     eng_vdw     eng_cou     eng_bnd     eng_ang     eng_dih     eng_tet
 time          eng_pv    temp_rot     vir_cfg     vir_vdw     vir_cou     vir_bnd     vir_ang     vir_con     vir_tet
 cpu time      volume    temp_shl     eng_shl     vir_shl       alpha        beta       gamma     vir_pmf       press

 ------------------------------------------------------------------------------------------------------------------------
     5000 -2.8721E+04  3.0977E+02 -4.2642E+04 -1.1262E+04 -3.8835E+04  2.0037E+03  2.9473E+03  2.5040E+03  0.0000E+00
   5.000p -2.8827E+04  0.0000E+00  2.8162E+04 -1.3257E+05  3.8832E+04  8.0714E+03  0.0000E+00  1.1383E+05  0.0000E+00
  19.537m  3.2155E+05  0.0000E+00  0.0000E+00  0.0000E+00  8.9861E+01  9.0203E+01  5.9289E+01  0.0000E+00 -2.2682E-02

  r.m.s.   8.9254E+01  1.5723E+00  1.0479E+02  1.0240E+02  1.4496E+02  2.8281E+01  3.7921E+01  3.6298E+01  0.0000E+00
 fluctn.   6.2541E+02  0.0000E+00  1.8505E+03  1.3891E+03  1.4484E+02  1.4113E+03  0.0000E+00  8.6714E+02  0.0000E+00
           1.5085E+02  0.0000E+00  0.0000E+00  0.0000E+00  2.2480E-02  1.3069E-02  2.0863E-02  0.0000E+00  1.3167E-01
 ------------------------------------------------------------------------------------------------------------------------


            Approximate 3D Diffusion  coefficients (10^-9 m^2 / s)

            atom        D 
            ch2        7.6002E-02
            CT         2.3813E-01
            C          1.2495E-01
            H          1.4358E-01
            HC         3.2428E-01
            N          8.1353E-02
            OS         1.0680E-01
            Oe         2.5044E-01
            O          3.2720E-01
            K          3.8010E+00
            cl         2.8505E+00
            OW         5.5456E+00
            HW         5.7392E+00


                Average pressure tensor                                       r.m.s. fluctuations 

          -4.8986E-03  4.2404E-02 -2.2502E-02                          1.7234E-01  1.2870E-01  1.4486E-01
           4.2404E-02  7.3187E-03  3.2503E-02                          1.2870E-01  1.8396E-01  1.3844E-01
          -2.2502E-02  3.2503E-02 -7.0466E-02                          1.4486E-01  1.3844E-01  2.6426E-01

            trace/3.  -2.2682E-02


                 Average cell vectors                                         r.m.s. fluctuations 

       68.8121063022        0.4424735828       -0.1602978413           9.1003E-03  1.8586E-02  7.8091E-03
       34.7738449611       59.4049503841        0.1241201141           1.5790E-02  1.5420E-02  1.3485E-02
       -0.0970337222        0.1145534683       78.9587099987           9.1668E-03  2.2838E-02  4.1784E-02


 sample of final configuration

      i       x(i)        y(i)        z(i)       vx(i)       vy(i)       vz(i)       fx(i)       fy(i)       fz(i)


      1 -4.4619E+00  6.9081E+00 -2.0484E+01 -5.2814E+00  1.0401E-01 -7.6841E+00 -3.1565E+03  4.0408E+03  3.6468E+03
    945 -1.7576E+01  1.5534E+01 -2.7383E+00 -4.8652E+00 -2.0155E-01 -4.2994E+00  7.8009E+03 -8.5778E+03  8.7682E+03
   1889  3.2919E+01  1.0530E+01 -2.1352E+01 -7.8686E-01 -2.4382E-01 -9.1283E+00  2.3999E+03 -6.3734E+03 -1.4315E+03
   2833  1.3833E+00  1.7469E+01 -1.8855E+01 -3.7933E+00 -2.2365E+00  7.0661E+00 -4.8172E+03  1.2038E+03 -7.6516E+03
   3777 -2.2902E+01  1.8136E+01 -2.2097E+01  3.2581E-01  1.1284E+01 -6.1967E+00 -1.4300E+03  3.9113E+03  6.7534E+03
   4721  3.6516E+01  2.5365E+01 -1.8539E+01  5.9750E+00  5.2113E+00  2.5266E-01  2.4078E+03 -3.2585E+03  6.5902E+03
   5665 -1.5120E+01 -2.3883E+01 -1.5621E+01  2.8751E+00  1.0401E+00 -7.0490E+00 -2.1819E+04 -1.3405E+04  1.5453E+04
   6609  2.4693E+01 -9.5138E+00 -1.4928E+01 -1.1526E-01 -6.5010E-01 -5.0670E+00 -2.3151E+03  1.0419E+04  1.4736E+04
   7553  1.7872E+01 -1.4699E+01 -1.3469E+01  8.6192E+00  6.6001E+00 -2.9397E-01 -4.9376E+02 -9.5881E+03  2.5851E+03
   8497  1.9375E+01  2.6709E+01  2.5790E+01  1.8887E+01 -7.3184E+00  9.5691E+00 -9.4464E+03 -2.3366E+03 -2.5778E+03
   9441 -3.4607E+01 -5.6799E+00 -3.4257E+01  5.9327E+00 -2.5094E+00 -3.6631E-01  3.7643E+03  3.4255E+03 -1.8951E+03
  10385 -1.0695E+01 -1.0768E+01 -3.8405E+01  5.4925E+00  2.2052E+00  3.9561E+00  9.8779E+01  2.8539E+02  9.9954E+02
  11329 -3.1776E+01 -8.0192E+00  3.4211E+01  1.3110E+01  1.6932E+01 -6.7517E+00 -1.2036E+03  1.1528E+03 -1.4805E+03
  12273  2.9746E+01 -5.7379E+00 -3.7160E+01  1.2492E-01 -8.8436E-01  7.4546E+00  2.3299E+03  1.5857E+03 -1.6666E+03
  13217  1.9651E+01 -2.4422E+01  3.6914E+01  1.7227E+00 -1.9878E-01  2.1497E+00 -9.1954E+01  6.7801E+02 -8.1520E+02
  14161  4.0516E+01  2.4602E+01 -2.8005E+01  8.8451E+00 -8.9278E-01 -1.1303E+01  2.4809E+02 -1.0469E+03  1.9339E+03
  15105 -1.7763E+01  1.6038E+01 -2.8452E+01  4.7247E+00  3.8066E+00 -1.6456E+00  7.5073E+01 -2.0313E+03  9.8936E+02
  16049  1.9223E+01 -3.8879E+00  3.7754E+01  4.5849E+00  2.2893E+00 -1.7721E+01 -1.8424E+03 -3.7358E+02  1.0967E+03
  16993  1.6555E+01  1.4616E+01  2.9577E+01  1.2612E+01 -4.5301E-01 -9.0344E+00  6.1337E+01  1.7286E+02  2.3027E+02
  17937 -1.1364E+00  2.2111E+01  3.4748E+01 -3.1380E+00 -6.2523E+00  4.4017E+00  3.7754E+03  2.3954E+03 -4.3380E+01


            RADIAL DISTRIBUTION FUNCTIONS

calculated using        261 configurations

g(r)  :ch2     ch2     

        r      g(r)         n(r)

    3.0250  0.000000E+00  0.000000E+00
    3.0750  0.000000E+00  0.000000E+00
    3.1250  1.243646E-05  1.907127E-06
    3.1750  9.638280E-05  1.716414E-05
    3.2250  5.663431E-04  1.096598E-04
    3.2750  1.874014E-03  4.252893E-04
    3.3250  5.223541E-03  1.332128E-03
    3.3750  1.296001E-02  3.650241E-03
    3.4250  2.822299E-02  8.849068E-03
    3.4750  5.453665E-02  1.919046E-02
    3.5250  9.684260E-02  3.808627E-02
    3.5750  1.613748E-01  7.047310E-02
    3.6250  2.484394E-01  1.217376E-01
    3.6750  3.543349E-01  1.968841E-01
    3.7250  4.803973E-01  3.015568E-01
    3.7750  6.197117E-01  4.402335E-01
    3.8250  7.635665E-01  6.156577E-01
    3.8750  9.079708E-01  8.297470E-01
    3.9250  1.045743E+00  1.082725E+00
    3.9750  1.173064E+00  1.373781E+00
    4.0250  1.287333E+00  1.701273E+00
    4.0750  1.384396E+00  2.062263E+00
    4.1250  1.477203E+00  2.456963E+00
    4.1750  1.557690E+00  2.883319E+00
    4.2250  1.622429E+00  3.338095E+00
    4.2750  1.691244E+00  3.823448E+00
    4.3250  1.750855E+00  4.337729E+00
    4.3750  1.809086E+00  4.881472E+00
    4.4250  1.864497E+00  5.454752E+00
    4.4750  1.923601E+00  6.059645E+00
    4.5250  1.978445E+00  6.695766E+00
    4.5750  2.035122E+00  7.364649E+00
    4.6250  2.078594E+00  8.062835E+00
    4.6750  2.118164E+00  8.789778E+00
    4.7250  2.150114E+00  9.543555E+00
    4.7750  2.182856E+00  1.032509E+01
    4.8250  2.239944E+00  1.114395E+01
    4.8750  2.344079E+00  1.201873E+01
    4.9250  2.529953E+00  1.298234E+01
    4.9750  2.747852E+00  1.405031E+01
    5.0250  2.911331E+00  1.520467E+01
    5.0750  2.911414E+00  1.638215E+01
    5.1250  2.724301E+00  1.750577E+01
    5.1750  2.434348E+00  1.852948E+01
    5.2250  2.186754E+00  1.946694E+01
    5.2750  2.017721E+00  2.034856E+01
    5.3250  1.918767E+00  2.120291E+01
    5.3750  1.859525E+00  2.204651E+01
    5.4250  1.802980E+00  2.287975E+01
    5.4750  1.745989E+00  2.370159E+01
    5.5250  1.696137E+00  2.451461E+01
    5.5750  1.638998E+00  2.531452E+01
    5.6250  1.588048E+00  2.610354E+01
    5.6750  1.543327E+00  2.688403E+01
    5.7250  1.493832E+00  2.765285E+01
    5.7750  1.450522E+00  2.841249E+01
    5.8250  1.404129E+00  2.916061E+01
    5.8750  1.362130E+00  2.989888E+01
    5.9250  1.325751E+00  3.062970E+01
    5.9750  1.297746E+00  3.135722E+01
    6.0250  1.268778E+00  3.208045E+01
    6.0750  1.255484E+00  3.280803E+01
    6.1250  1.259167E+00  3.354980E+01
    6.1750  1.296988E+00  3.432638E+01
    6.2250  1.380124E+00  3.516617E+01
    6.2750  1.504569E+00  3.609646E+01
    6.3250  1.606919E+00  3.710592E+01
    6.3750  1.618732E+00  3.813895E+01
    6.4250  1.526819E+00  3.912866E+01
    6.4750  1.371165E+00  4.003136E+01
    6.5250  1.227707E+00  4.085215E+01
    6.5750  1.135320E+00  4.162285E+01
    6.6250  1.088088E+00  4.237277E+01
    6.6750  1.069912E+00  4.312133E+01
    6.7250  1.063468E+00  4.387657E+01
    6.7750  1.059293E+00  4.464007E+01
    6.8250  1.059957E+00  4.541537E+01
    6.8750  1.054507E+00  4.619802E+01
    6.9250  1.056482E+00  4.699359E+01
    6.9750  1.059155E+00  4.780273E+01
    7.0250  1.066650E+00  4.862932E+01
    7.0750  1.073926E+00  4.947344E+01
    7.1250  1.082538E+00  5.033639E+01
    7.1750  1.097291E+00  5.122343E+01
    7.2250  1.110578E+00  5.213376E+01
    7.2750  1.134761E+00  5.307683E+01
    7.3250  1.170969E+00  5.406342E+01
    7.3750  1.230127E+00  5.511405E+01
    7.4250  1.304212E+00  5.624311E+01
    7.4750  1.386193E+00  5.745935E+01
    7.5250  1.455616E+00  5.875365E+01
    7.5750  1.492413E+00  6.009836E+01
    7.6250  1.489989E+00  6.145867E+01
    7.6750  1.456217E+00  6.280564E+01
    7.7250  1.410386E+00  6.412727E+01
    7.7750  1.377898E+00  6.543523E+01
    7.8250  1.367436E+00  6.675000E+01
    7.8750  1.374057E+00  6.808808E+01
    7.9250  1.394925E+00  6.946378E+01
    7.9750  1.415131E+00  7.087708E+01
    8.0250  1.440549E+00  7.233385E+01
    8.0750  1.464743E+00  7.383361E+01
    8.1250  1.485468E+00  7.537349E+01
    8.1750  1.507816E+00  7.695582E+01
    8.2250  1.527716E+00  7.857871E+01
    8.2750  1.545775E+00  8.024081E+01
    8.3250  1.561392E+00  8.194006E+01
    8.3750  1.575074E+00  8.367484E+01
    8.4250  1.589863E+00  8.544688E+01
    8.4750  1.604669E+00  8.725672E+01
    8.5250  1.619010E+00  8.910434E+01
    8.5750  1.637327E+00  9.099485E+01
    8.6250  1.666370E+00  9.294140E+01
    8.6750  1.705559E+00  9.495689E+01
    8.7250  1.753630E+00  9.705314E+01
    8.7750  1.800905E+00  9.923065E+01
    8.8250  1.830015E+00  1.014686E+02
    8.8750  1.832994E+00  1.037358E+02
    8.9250  1.809194E+00  1.059987E+02
    8.9750  1.762893E+00  1.082285E+02
    9.0250  1.717895E+00  1.104257E+02
    9.0750  1.677792E+00  1.125954E+02
    9.1250  1.651813E+00  1.147552E+02
    9.1750  1.634834E+00  1.169162E+02
    9.2250  1.622393E+00  1.190842E+02
    9.2750  1.613446E+00  1.212637E+02
    9.3250  1.601809E+00  1.234509E+02
    9.3750  1.591189E+00  1.256469E+02
    9.4250  1.577134E+00  1.278468E+02
    9.4750  1.559450E+00  1.300452E+02
    9.5250  1.546475E+00  1.322484E+02
    9.5750  1.529404E+00  1.344502E+02
    9.6250  1.514681E+00  1.366536E+02
    9.6750  1.499529E+00  1.388577E+02
    9.7250  1.486660E+00  1.410655E+02
    9.7750  1.478795E+00  1.432843E+02
    9.8250  1.471662E+00  1.455151E+02
    9.8750  1.471295E+00  1.477680E+02
    9.9250  1.477559E+00  1.500535E+02
    9.9750  1.482849E+00  1.523703E+02
   10.0250  1.488299E+00  1.547191E+02
   10.0750  1.478065E+00  1.570750E+02
   10.1250  1.459237E+00  1.594240E+02
   10.1750  1.428700E+00  1.617467E+02
   10.2250  1.389318E+00  1.640275E+02
   10.2750  1.348662E+00  1.662634E+02
   10.3250  1.317560E+00  1.684690E+02
   10.3750  1.291489E+00  1.706519E+02
   10.4250  1.270934E+00  1.728209E+02
   10.4750  1.257673E+00  1.749878E+02
   10.5250  1.247533E+00  1.771579E+02
   10.5750  1.236864E+00  1.793299E+02
   10.6250  1.226199E+00  1.815035E+02
   10.6750  1.218587E+00  1.836841E+02
   10.7250  1.213233E+00  1.858754E+02
   10.7750  1.208093E+00  1.880779E+02
   10.8250  1.204976E+00  1.902951E+02
   10.8750  1.203042E+00  1.925293E+02
   10.9250  1.203726E+00  1.947853E+02
   10.9750  1.209502E+00  1.970730E+02
   11.0250  1.216765E+00  1.993954E+02
   11.0750  1.228039E+00  2.017606E+02
   11.1250  1.245541E+00  2.041813E+02
   11.1750  1.268364E+00  2.066685E+02
   11.2250  1.292071E+00  2.092249E+02
   11.2750  1.315765E+00  2.118515E+02
   11.3250  1.335890E+00  2.145419E+02
   11.3750  1.347978E+00  2.172807E+02
   11.4250  1.349551E+00  2.200468E+02
   11.4750  1.345181E+00  2.228282E+02
   11.5250  1.336941E+00  2.256167E+02
   11.5750  1.334171E+00  2.284236E+02
   11.6250  1.334698E+00  2.312559E+02
   11.6750  1.338650E+00  2.341211E+02
   11.7250  1.347468E+00  2.370300E+02
   11.7750  1.357737E+00  2.399860E+02
   11.8250  1.371441E+00  2.429973E+02
   11.8750  1.384409E+00  2.460628E+02
   11.9250  1.392948E+00  2.491733E+02
   11.9750  1.407593E+00  2.523429E+02
   12.0250  1.416806E+00  2.555599E+02
   12.0750  1.425585E+00  2.588239E+02
   12.1250  1.436337E+00  2.621397E+02
   12.1750  1.446052E+00  2.655056E+02
   12.2250  1.456542E+00  2.689237E+02
   12.2750  1.470305E+00  2.724025E+02
   12.3250  1.481055E+00  2.759353E+02
   12.3750  1.493642E+00  2.795271E+02
   12.4250  1.507951E+00  2.831827E+02
   12.4750  1.519773E+00  2.868966E+02
   12.5250  1.530326E+00  2.906663E+02
   12.5750  1.536001E+00  2.944804E+02
   12.6250  1.533177E+00  2.983177E+02
   12.6750  1.526727E+00  3.021692E+02
   12.7250  1.514508E+00  3.060201E+02
   12.7750  1.501906E+00  3.098690E+02
   12.8250  1.489165E+00  3.137152E+02
   12.8750  1.479815E+00  3.175671E+02
   12.9250  1.471091E+00  3.214261E+02
   12.9750  1.465942E+00  3.253014E+02
   13.0250  1.460863E+00  3.291931E+02
   13.0750  1.457103E+00  3.331047E+02
   13.1250  1.454029E+00  3.370379E+02
   13.1750  1.450223E+00  3.409907E+02
   13.2250  1.445402E+00  3.449604E+02
   13.2750  1.439600E+00  3.489441E+02
   13.3250  1.436395E+00  3.529489E+02
   13.3750  1.433163E+00  3.569747E+02
   13.4250  1.427069E+00  3.610135E+02
   13.4750  1.424665E+00  3.650755E+02
   13.5250  1.421943E+00  3.691599E+02
   13.5750  1.420839E+00  3.732714E+02
   13.6250  1.419963E+00  3.774107E+02
   13.6750  1.420953E+00  3.815833E+02
   13.7250  1.421642E+00  3.857885E+02
   13.7750  1.420009E+00  3.900196E+02
   13.8250  1.414601E+00  3.942652E+02
   13.8750  1.407035E+00  3.985187E+02
   13.9250  1.395488E+00  4.027677E+02
   13.9750  1.381100E+00  4.070032E+02

g(r)  :ch2     CT      

        r      g(r)         n(r)

    2.8250  0.000000E+00  0.000000E+00
    2.8750  0.000000E+00  0.000000E+00
    2.9250  8.487589E-05  4.767817E-07
    2.9750  0.000000E+00  4.767817E-07
    3.0250  1.587143E-04  1.430345E-06
    3.0750  3.071898E-04  3.337472E-06
    3.1250  1.487193E-03  1.287311E-05
    3.1750  3.601805E-03  3.671219E-05
    3.2250  1.061261E-02  1.091830E-04
    3.2750  1.875406E-02  2.412515E-04
    3.3250  3.507490E-02  4.958530E-04
    3.3750  5.559140E-02  9.116066E-04
    3.4250  8.468449E-02  1.563844E-03
    3.4750  1.205713E-01  2.519791E-03
    3.5250  1.631101E-01  3.850489E-03
    3.5750  1.999432E-01  5.528284E-03
    3.6250  2.461353E-01  7.651869E-03
    3.6750  2.870683E-01  1.019741E-02
    3.7250  3.288696E-01  1.319350E-02
    3.7750  3.688799E-01  1.664493E-02
    3.8250  4.047141E-01  2.053260E-02
    3.8750  4.426502E-01  2.489659E-02
    3.9250  4.617535E-01  2.956714E-02
    3.9750  4.840818E-01  3.458908E-02
    4.0250  5.132332E-01  4.004823E-02
    4.0750  5.245055E-01  4.576675E-02
    4.1250  5.422534E-01  5.182474E-02
    4.1750  5.427163E-01  5.803577E-02
    4.2250  5.594406E-01  6.459248E-02
    4.2750  5.796492E-01  7.154777E-02
    4.3250  5.889961E-01  7.878150E-02
    4.3750  5.942764E-01  8.624981E-02
    4.4250  6.071796E-01  9.405568E-02
    4.4750  6.248730E-01  1.022716E-01
    4.5250  6.529183E-01  1.110491E-01
    4.5750  6.497231E-01  1.199778E-01
    4.6250  6.680021E-01  1.293595E-01
    4.6750  6.969837E-01  1.393609E-01
    4.7250  6.890440E-01  1.494610E-01
    4.7750  7.121757E-01  1.601224E-01
    4.8250  7.338625E-01  1.713396E-01
    4.8750  7.433919E-01  1.829392E-01
    4.9250  7.402900E-01  1.947286E-01
    4.9750  7.416215E-01  2.067802E-01
    5.0250  7.377498E-01  2.190111E-01
    5.0750  7.451356E-01  2.316115E-01
    5.1250  7.350081E-01  2.442867E-01
    5.1750  7.379567E-01  2.572623E-01
    5.2250  7.191661E-01  2.701531E-01
    5.2750  7.223781E-01  2.833504E-01
    5.3250  7.191455E-01  2.967389E-01
    5.3750  7.178180E-01  3.103548E-01
    5.4250  7.111368E-01  3.240962E-01
    5.4750  7.122582E-01  3.381140E-01
    5.5250  7.125805E-01  3.523955E-01
    5.5750  7.128234E-01  3.669417E-01
    5.6250  7.063812E-01  3.816161E-01
    5.6750  7.096148E-01  3.966209E-01
    5.7250  7.122071E-01  4.119470E-01
    5.7750  7.016046E-01  4.273099E-01
    5.8250  7.028594E-01  4.429679E-01
    5.8750  6.987313E-01  4.588022E-01
    5.9250  6.924492E-01  4.747625E-01
    5.9750  6.877025E-01  4.908820E-01
    6.0250  6.772760E-01  5.070239E-01
    6.0750  6.824263E-01  5.235597E-01
    6.1250  6.785502E-01  5.402733E-01
    6.1750  6.702914E-01  5.570541E-01
    6.2250  6.660697E-01  5.740003E-01
    6.2750  6.528786E-01  5.908789E-01
    6.3250  6.496583E-01  6.079429E-01
    6.3750  6.391860E-01  6.249983E-01
    6.4250  6.292939E-01  6.420542E-01
    6.4750  6.242027E-01  6.592365E-01
    6.5250  6.200969E-01  6.765704E-01
    6.5750  6.119279E-01  6.939391E-01
    6.6250  6.099730E-01  7.115166E-01
    6.6750  6.129624E-01  7.294478E-01
    6.7250  6.076069E-01  7.474897E-01
    6.7750  6.060915E-01  7.657553E-01
    6.8250  6.039784E-01  7.842267E-01
    6.8750  5.987436E-01  8.028074E-01
    6.9250  6.016069E-01  8.217494E-01
    6.9750  6.020432E-01  8.409800E-01
    7.0250  6.016115E-01  8.604732E-01
    7.0750  6.014075E-01  8.802382E-01
    7.1250  6.062567E-01  9.004451E-01
    7.1750  6.086559E-01  9.210178E-01
    7.2250  6.087606E-01  9.418817E-01
    7.2750  6.149793E-01  9.632516E-01
    7.3250  6.161809E-01  9.849585E-01
    7.3750  6.162255E-01  1.006964E+00
    7.4250  6.194006E-01  1.029385E+00
    7.4750  6.235666E-01  1.052261E+00
    7.5250  6.296451E-01  1.075670E+00
    7.5750  6.379138E-01  1.099702E+00
    7.6250  6.490098E-01  1.124477E+00
    7.6750  6.573348E-01  1.149899E+00
    7.7250  6.676053E-01  1.176056E+00
    7.7750  6.789276E-01  1.203003E+00
    7.8250  6.897883E-01  1.230733E+00
    7.8750  7.003427E-01  1.259249E+00
    7.9250  7.085301E-01  1.288466E+00
    7.9750  7.231259E-01  1.318662E+00
    8.0250  7.331769E-01  1.349663E+00
    8.0750  7.495953E-01  1.381754E+00
    8.1250  7.637073E-01  1.414855E+00
    8.1750  7.739853E-01  1.448817E+00
    8.2250  7.876396E-01  1.483801E+00
    8.2750  7.996569E-01  1.519752E+00
    8.3250  8.095169E-01  1.556588E+00
    8.3750  8.226467E-01  1.594472E+00
    8.4250  8.326566E-01  1.633276E+00
    8.4750  8.404426E-01  1.672910E+00
    8.5250  8.506272E-01  1.713498E+00
    8.5750  8.569821E-01  1.754871E+00
    8.6250  8.608097E-01  1.796914E+00
    8.6750  8.715655E-01  1.839978E+00
    8.7250  8.805689E-01  1.883990E+00
    8.7750  8.901787E-01  1.928993E+00
    8.8250  8.947967E-01  1.974747E+00
    8.8750  8.932526E-01  2.020941E+00
    8.9250  8.998096E-01  2.068000E+00
    8.9750  9.039116E-01  2.115805E+00
    9.0250  9.082511E-01  2.164375E+00
    9.0750  9.077229E-01  2.213457E+00
    9.1250  9.084338E-01  2.263120E+00
    9.1750  9.141132E-01  2.313643E+00
    9.2250  9.199662E-01  2.365045E+00
    9.2750  9.194358E-01  2.416975E+00
    9.3250  9.138781E-01  2.469150E+00
    9.3750  9.186069E-01  2.522158E+00
    9.4250  9.187453E-01  2.575742E+00
    9.4750  9.195818E-01  2.629945E+00
    9.5250  9.153636E-01  2.684470E+00
    9.5750  9.202365E-01  2.739863E+00
    9.6250  9.285962E-01  2.796344E+00
    9.6750  9.254932E-01  2.853222E+00
    9.7250  9.297530E-01  2.910955E+00
    9.7750  9.288689E-01  2.969227E+00
    9.8250  9.264050E-01  3.027941E+00
    9.8750  9.258571E-01  3.087219E+00
    9.9250  9.309864E-01  3.147430E+00
    9.9750  9.322080E-01  3.208329E+00
   10.0250  9.310540E-01  3.269765E+00
   10.0750  9.279740E-01  3.331609E+00
   10.1250  9.279764E-01  3.394069E+00
   10.1750  9.222876E-01  3.456760E+00
   10.2250  9.241251E-01  3.520196E+00
   10.2750  9.208621E-01  3.584027E+00
   10.3250  9.157796E-01  3.648125E+00
   10.3750  9.137339E-01  3.712700E+00
   10.4250  9.097008E-01  3.777612E+00
   10.4750  9.144653E-01  3.843492E+00
   10.5250  9.084393E-01  3.909563E+00
   10.5750  9.077004E-01  3.976210E+00
   10.6250  9.017505E-01  4.043047E+00
   10.6750  9.036720E-01  4.110658E+00
   10.7250  9.013012E-01  4.178725E+00
   10.7750  8.990981E-01  4.247261E+00
   10.8250  8.997168E-01  4.316481E+00
   10.8750  9.010168E-01  4.386444E+00
   10.9250  9.001868E-01  4.456986E+00
   10.9750  8.990752E-01  4.528088E+00
   11.0250  8.996375E-01  4.599883E+00
   11.0750  8.994898E-01  4.672320E+00
   11.1250  9.044659E-01  4.745816E+00
   11.1750  8.964427E-01  4.819317E+00
   11.2250  9.004160E-01  4.893805E+00
   11.2750  9.015875E-01  4.969057E+00
   11.3250  9.049171E-01  5.045258E+00
   11.3750  9.052069E-01  5.122157E+00
   11.4250  9.076212E-01  5.199941E+00
   11.4750  9.109408E-01  5.278695E+00
   11.5250  9.144366E-01  5.358441E+00
   11.5750  9.112744E-01  5.438602E+00
   11.6250  9.181436E-01  5.520067E+00
   11.6750  9.226190E-01  5.602634E+00
   11.7250  9.258228E-01  5.686200E+00
   11.7750  9.279543E-01  5.770674E+00
   11.8250  9.341195E-01  5.856432E+00
   11.8750  9.427590E-01  5.943718E+00
   11.9250  9.485912E-01  6.032284E+00
   11.9750  9.501206E-01  6.121739E+00
   12.0250  9.542082E-01  6.212330E+00
   12.0750  9.533447E-01  6.303594E+00
   12.1250  9.611862E-01  6.396372E+00
   12.1750  9.621013E-01  6.490006E+00
   12.2250  9.632561E-01  6.584523E+00
   12.2750  9.749968E-01  6.680977E+00
   12.3250  9.728149E-01  6.778001E+00
   12.3750  9.773840E-01  6.876273E+00
   12.4250  9.837674E-01  6.975987E+00
   12.4750  9.790610E-01  7.076025E+00
   12.5250  9.875401E-01  7.177740E+00
   12.5750  9.869124E-01  7.280203E+00
   12.6250  9.920179E-01  7.384017E+00
   12.6750  9.949511E-01  7.488964E+00
   12.7250  9.951079E-01  7.594758E+00
   12.7750  9.990318E-01  7.701805E+00
   12.8250  1.004463E+00  7.810278E+00
   12.8750  1.006471E+00  7.919817E+00
   12.9250  1.008711E+00  8.030454E+00
   12.9750  1.010851E+00  8.142186E+00
   13.0250  1.010745E+00  8.254768E+00
   13.0750  1.015425E+00  8.368742E+00
   13.1250  1.017205E+00  8.483790E+00
   13.1750  1.013218E+00  8.599263E+00
   13.2250  1.015972E+00  8.715929E+00
   13.2750  1.017959E+00  8.833710E+00
   13.3250  1.016047E+00  8.952156E+00
   13.3750  1.013101E+00  9.071147E+00
   13.4250  1.013921E+00  9.191126E+00
   13.4750  1.013641E+00  9.311967E+00
   13.5250  1.011095E+00  9.433401E+00
   13.5750  1.012815E+00  9.555943E+00
   13.6250  1.005849E+00  9.678539E+00
   13.6750  1.012129E+00  9.802809E+00
   13.7250  1.007898E+00  9.927465E+00
   13.7750  1.009420E+00  1.005322E+01
   13.8250  1.005384E+00  1.017939E+01
   13.8750  1.004454E+00  1.030635E+01
   13.9250  1.000392E+00  1.043371E+01
   13.9750  1.001568E+00  1.056213E+01

g(r)  :ch2     C       

        r      g(r)         n(r)

    3.0750  0.000000E+00  0.000000E+00
    3.1250  0.000000E+00  0.000000E+00
    3.1750  2.521264E-04  4.767817E-07
    3.2250  4.887385E-04  1.430345E-06
    3.2750  1.421788E-03  4.291035E-06
    3.3250  3.448375E-03  1.144276E-05
    3.3750  4.908874E-03  2.193196E-05
    3.4250  5.633252E-03  3.432828E-05
    3.4750  1.115510E-02  5.959771E-05
    3.5250  1.104544E-02  8.534392E-05
    3.5750  1.789773E-02  1.282543E-04
    3.6250  1.779425E-02  1.721182E-04
    3.6750  2.333539E-02  2.312391E-04
    3.7250  2.930729E-02  3.075242E-04
    3.7750  3.674021E-02  4.057412E-04
    3.8250  4.395073E-02  5.263670E-04
    3.8750  5.077928E-02  6.694015E-04
    3.9250  5.906259E-02  8.400893E-04
    3.9750  8.332291E-02  1.087062E-03
    4.0250  9.899350E-02  1.387911E-03
    4.0750  1.149460E-01  1.745975E-03
    4.1250  1.299513E-01  2.160775E-03
    4.1750  1.507707E-01  2.653767E-03
    4.2250  1.731369E-01  3.233533E-03
    4.2750  1.945607E-01  3.900551E-03
    4.3250  2.236493E-01  4.685334E-03
    4.3750  2.306501E-01  5.513503E-03
    4.4250  2.597351E-01  6.467544E-03
    4.4750  2.788394E-01  7.515033E-03
    4.5250  2.738285E-01  8.566813E-03
    4.5750  3.030908E-01  9.756860E-03
    4.6250  3.095243E-01  1.099888E-02
    4.6750  3.367797E-01  1.237964E-02
    4.7250  3.430095E-01  1.381618E-02
    4.7750  3.629513E-01  1.536858E-02
    4.8250  3.805779E-01  1.703064E-02
    4.8750  3.915267E-01  1.877614E-02
    4.9250  4.026882E-01  2.060841E-02
    4.9750  4.218473E-01  2.256703E-02
    5.0250  4.371483E-01  2.463769E-02
    5.0750  4.468333E-01  2.679656E-02
    5.1250  4.358348E-01  2.894399E-02
    5.1750  4.511799E-01  3.121061E-02
    5.2250  4.608334E-01  3.357068E-02
    5.2750  4.489418E-01  3.591406E-02
    5.3250  4.735359E-01  3.843289E-02
    5.3750  4.776111E-01  4.102134E-02
    5.4250  4.673798E-01  4.360169E-02
    5.4750  4.777903E-01  4.628835E-02
    5.5250  4.890813E-01  4.908897E-02
    5.5750  4.978479E-01  5.199161E-02
    5.6250  5.034154E-01  5.497960E-02
    5.6750  5.106832E-01  5.806486E-02
    5.7250  5.048262E-01  6.116871E-02
    5.7750  5.067157E-01  6.433883E-02
    5.8250  5.092901E-01  6.758047E-02
    5.8750  5.223075E-01  7.096228E-02
    5.9250  5.255478E-01  7.442324E-02
    5.9750  5.291052E-01  7.796668E-02
    6.0250  5.446555E-01  8.167556E-02
    6.0750  5.433024E-01  8.543689E-02
    6.1250  5.386011E-01  8.922731E-02
    6.1750  5.522439E-01  9.317744E-02
    6.2250  5.552798E-01  9.721388E-02
    6.2750  5.564710E-01  1.013242E-01
    6.3250  5.615578E-01  1.055385E-01
    6.3750  5.716705E-01  1.098967E-01
    6.4250  5.628691E-01  1.142555E-01
    6.4750  5.796106E-01  1.188140E-01
    6.5250  5.728511E-01  1.233892E-01
    6.5750  5.869244E-01  1.281489E-01
    6.6250  5.816889E-01  1.329382E-01
    6.6750  5.825906E-01  1.378075E-01
    6.7250  5.937980E-01  1.428452E-01
    6.7750  5.856195E-01  1.478877E-01
    6.8250  5.966590E-01  1.531013E-01
    6.8750  6.022081E-01  1.584408E-01
    6.9250  6.082243E-01  1.639123E-01
    6.9750  6.223655E-01  1.695922E-01
    7.0250  6.297608E-01  1.754223E-01
    7.0750  6.484118E-01  1.815108E-01
    7.1250  6.518597E-01  1.877185E-01
    7.1750  6.697627E-01  1.941865E-01
    7.2250  6.819482E-01  2.008643E-01
    7.2750  6.920558E-01  2.077352E-01
    7.3250  6.966615E-01  2.147472E-01
    7.3750  7.056119E-01  2.219466E-01
    7.4250  7.112622E-01  2.293024E-01
    7.4750  7.115587E-01  2.367607E-01
    7.5250  7.263720E-01  2.444765E-01
    7.5750  7.196052E-01  2.522223E-01
    7.6250  7.234444E-01  2.601125E-01
    7.6750  7.275544E-01  2.681520E-01
    7.7250  7.406547E-01  2.764433E-01
    7.7750  7.383069E-01  2.848156E-01
    7.8250  7.506941E-01  2.934381E-01
    7.8750  7.525443E-01  3.021928E-01
    7.9250  7.530741E-01  3.110652E-01
    7.9750  7.494154E-01  3.200063E-01
    8.0250  7.643382E-01  3.292402E-01
    8.0750  7.662059E-01  3.386123E-01
    8.1250  7.682008E-01  3.481255E-01
    8.1750  7.654120E-01  3.577212E-01
    8.2250  7.869418E-01  3.677079E-01
    8.2750  7.907116E-01  3.778647E-01
    8.3250  7.932342E-01  3.881775E-01
    8.3750  7.966187E-01  3.986591E-01
    8.4250  8.065274E-01  4.093981E-01
    8.4750  8.004360E-01  4.201829E-01
    8.5250  8.128620E-01  4.312648E-01
    8.5750  8.162687E-01  4.425240E-01
    8.6250  8.095655E-01  4.538213E-01
    8.6750  8.124186E-01  4.652903E-01
    8.7250  8.194270E-01  4.769919E-01
    8.7750  8.153637E-01  4.887694E-01
    8.8250  8.121881E-01  5.006351E-01
    8.8750  8.229398E-01  5.127944E-01
    8.9250  8.250085E-01  5.251221E-01
    8.9750  8.241404E-01  5.375752E-01
    9.0250  8.253003E-01  5.501851E-01
    9.0750  8.381121E-01  5.631330E-01
    9.1250  8.386287E-01  5.762321E-01
    9.1750  8.422546E-01  5.895324E-01
    9.2250  8.456035E-01  6.030316E-01
    9.2750  8.587585E-01  6.168897E-01
    9.3250  8.603304E-01  6.309233E-01
    9.3750  8.631790E-01  6.451548E-01
    9.4250  8.674355E-01  6.596093E-01
    9.4750  8.644198E-01  6.741669E-01
    9.5250  8.745584E-01  6.890511E-01
    9.5750  8.754564E-01  7.041074E-01
    9.6250  8.700333E-01  7.192271E-01
    9.6750  8.780343E-01  7.346448E-01
    9.7250  8.717432E-01  7.501106E-01
    9.7750  8.796059E-01  7.658768E-01
    9.8250  8.884750E-01  7.819654E-01
    9.8750  8.830452E-01  7.981187E-01
    9.9250  8.861942E-01  8.144943E-01
    9.9750  8.892613E-01  8.310925E-01
   10.0250  8.882782E-01  8.478389E-01
   10.0750  8.963349E-01  8.649063E-01
   10.1250  9.035946E-01  8.822831E-01
   10.1750  9.098584E-01  8.999536E-01
   10.2250  9.059411E-01  9.177213E-01
   10.2750  9.058605E-01  9.356616E-01
   10.3250  8.985864E-01  9.536316E-01
   10.3750  9.162975E-01  9.721335E-01
   10.4250  9.084880E-01  9.906551E-01
   10.4750  9.209147E-01  1.009610E+00
   10.5250  9.216845E-01  1.028763E+00
   10.5750  9.313988E-01  1.048302E+00
   10.6250  9.289798E-01  1.067975E+00
   10.6750  9.321188E-01  1.087901E+00
   10.7250  9.520627E-01  1.108444E+00
   10.7750  9.439041E-01  1.129001E+00
   10.8250  9.407138E-01  1.149680E+00
   10.8750  9.407444E-01  1.170551E+00
   10.9250  9.475066E-01  1.191765E+00
   10.9750  9.518912E-01  1.213273E+00
   11.0250  9.529583E-01  1.235002E+00
   11.0750  9.547962E-01  1.256971E+00
   11.1250  9.516751E-01  1.279066E+00
   11.1750  9.545754E-01  1.301428E+00
   11.2250  9.498625E-01  1.323879E+00
   11.2750  9.621696E-01  1.346824E+00
   11.3250  9.547228E-01  1.369794E+00
   11.3750  9.538715E-01  1.392946E+00
   11.4250  9.566785E-01  1.416372E+00
   11.4750  9.530115E-01  1.439912E+00
   11.5250  9.470948E-01  1.463510E+00
   11.5750  9.568761E-01  1.487559E+00
   11.6250  9.565429E-01  1.511808E+00
   11.6750  9.649815E-01  1.536482E+00
   11.7250  9.629069E-01  1.561315E+00
   11.7750  9.673037E-01  1.586473E+00
   11.8250  9.700286E-01  1.611918E+00
   11.8750  9.797567E-01  1.637835E+00
   11.9250  9.784748E-01  1.663937E+00
   11.9750  9.824442E-01  1.690365E+00
   12.0250  9.891437E-01  1.717196E+00
   12.0750  9.785460E-01  1.743961E+00
   12.1250  9.818160E-01  1.771038E+00
   12.1750  9.886001E-01  1.798527E+00
   12.2250  9.825197E-01  1.826072E+00
   12.2750  9.862890E-01  1.853949E+00
   12.3250  9.841757E-01  1.881994E+00
   12.3750  9.934497E-01  1.910533E+00
   12.4250  9.897343E-01  1.939196E+00
   12.4750  9.957474E-01  1.968265E+00
   12.5250  9.934676E-01  1.997501E+00
   12.5750  9.865634E-01  2.026766E+00
   12.6250  9.932913E-01  2.056465E+00
   12.6750  9.780662E-01  2.085941E+00
   12.7250  9.840353E-01  2.115832E+00
   12.7750  9.830287E-01  2.145927E+00
   12.8250  9.886678E-01  2.176432E+00
   12.8750  9.788725E-01  2.206870E+00
   12.9250  9.839264E-01  2.237704E+00
   12.9750  9.838913E-01  2.268776E+00
   13.0250  9.797228E-01  2.299955E+00
   13.0750  9.891630E-01  2.331677E+00
   13.1250  9.811392E-01  2.363382E+00
   13.1750  9.910284E-01  2.395652E+00
   13.2250  9.956105E-01  2.428317E+00
   13.2750  9.954658E-01  2.461225E+00
   13.3250  9.993464E-01  2.494511E+00
   13.3750  9.965772E-01  2.527954E+00
   13.4250  9.985315E-01  2.561713E+00
   13.4750  9.921149E-01  2.595506E+00
   13.5250  9.899340E-01  2.629475E+00
   13.5750  9.962680E-01  2.663915E+00
   13.6250  9.843691E-01  2.698195E+00
   13.6750  9.876900E-01  2.732843E+00
   13.7250  9.863086E-01  2.767696E+00
   13.7750  9.835147E-01  2.802704E+00
   13.8250  9.946716E-01  2.838367E+00
   13.8750  9.926118E-01  2.874214E+00
   13.9250  9.911195E-01  2.910265E+00
   13.9750  1.004121E+00  2.947052E+00

g(r)  :ch2     H       

        r      g(r)         n(r)

    2.2750  0.000000E+00  0.000000E+00
    2.3250  0.000000E+00  0.000000E+00
    2.3750  3.604636E-03  1.907127E-06
    2.4250  4.321911E-03  4.291035E-06
    2.4750  9.127928E-03  9.535634E-06
    2.5250  1.275639E-02  1.716414E-05
    2.5750  1.686550E-02  2.765334E-05
    2.6250  1.696683E-02  3.861932E-05
    2.6750  1.846961E-02  5.101564E-05
    2.7250  2.669710E-02  6.961013E-05
    2.7750  2.310335E-02  8.629749E-05
    2.8250  2.547748E-02  1.053688E-04
    2.8750  2.336908E-02  1.234865E-04
    2.9250  3.327135E-02  1.501862E-04
    2.9750  3.445972E-02  1.787931E-04
    3.0250  3.333000E-02  2.074000E-04
    3.0750  4.461932E-02  2.469729E-04
    3.1250  5.673641E-02  2.989421E-04
    3.1750  5.042527E-02  3.466203E-04
    3.2250  5.767114E-02  4.028805E-04
    3.2750  5.734546E-02  4.605711E-04
    3.3250  5.425443E-02  5.168313E-04
    3.3750  7.764946E-02  5.997914E-04
    3.4250  7.193229E-02  6.789371E-04
    3.4750  7.450764E-02  7.633275E-04
    3.5250  7.731806E-02  8.534392E-04
    3.5750  8.511366E-02  9.554705E-04
    3.6250  8.626341E-02  1.061793E-03
    3.6750  9.785807E-02  1.185756E-03
    3.7250  9.524868E-02  1.309719E-03
    3.7750  8.453815E-02  1.422717E-03
    3.8250  9.311302E-02  1.550494E-03
    3.8750  1.012200E-01  1.693052E-03
    3.9250  1.019572E-01  1.840377E-03
    3.9750  1.190327E-01  2.016787E-03
    4.0250  1.179764E-01  2.196056E-03
    4.0750  1.300987E-01  2.398689E-03
    4.1250  1.215866E-01  2.592739E-03
    4.1750  1.347313E-01  2.813012E-03
    4.2250  1.506405E-01  3.065229E-03
    4.2750  1.337866E-01  3.294561E-03
    4.3250  1.562556E-01  3.568711E-03
    4.3750  1.596093E-01  3.855257E-03
    4.4250  1.583592E-01  4.146094E-03
    4.4750  1.660091E-01  4.457909E-03
    4.5250  1.665811E-01  4.777829E-03
    4.5750  1.789887E-01  5.129217E-03
    4.6250  1.834570E-01  5.497293E-03
    4.6750  1.842055E-01  5.874904E-03
    4.7250  2.035516E-01  6.301147E-03
    4.7750  2.064453E-01  6.742647E-03
    4.8250  2.096126E-01  7.200357E-03
    4.8750  2.252268E-01  7.702408E-03
    4.9250  2.342989E-01  8.235450E-03
    4.9750  2.429627E-01  8.799483E-03
    5.0250  2.514383E-01  9.394983E-03
    5.0750  2.638764E-01  1.003244E-02
    5.1250  2.616557E-01  1.067705E-02
    5.1750  2.731375E-01  1.136314E-02
    5.2250  3.133667E-01  1.216556E-02
    5.2750  3.083677E-01  1.297037E-02
    5.3250  3.230406E-01  1.382953E-02
    5.3750  3.318381E-01  1.472874E-02
    5.4250  3.361127E-01  1.565656E-02
    5.4750  3.588303E-01  1.666543E-02
    5.5250  3.561951E-01  1.768526E-02
    5.5750  3.910494E-01  1.882525E-02
    5.6250  3.879841E-01  1.997668E-02
    5.6750  4.266347E-01  2.126542E-02
    5.7250  4.381365E-01  2.261232E-02
    5.7750  4.607614E-01  2.405364E-02
    5.8250  4.765559E-01  2.557028E-02
    5.8750  4.946936E-01  2.717179E-02
    5.9250  5.231586E-01  2.889440E-02
    5.9750  5.258303E-01  3.065516E-02
    6.0250  5.451456E-01  3.251127E-02
    6.0750  5.531506E-01  3.442602E-02
    6.1250  5.799277E-01  3.646665E-02
    6.1750  5.851052E-01  3.855924E-02
    6.2250  6.053901E-01  4.075959E-02
    6.2750  6.197929E-01  4.304862E-02
    6.3250  6.525990E-01  4.549737E-02
    6.3750  6.555355E-01  4.799618E-02
    6.4250  6.799745E-01  5.062897E-02
    6.4750  6.799406E-01  5.330276E-02
    6.5250  6.843649E-01  5.603567E-02
    6.5750  6.771707E-01  5.878146E-02
    6.6250  6.965211E-01  6.164883E-02
    6.6750  7.023260E-01  6.458389E-02
    6.7250  6.973164E-01  6.754185E-02
    6.7750  7.234971E-01  7.065666E-02
    6.8250  7.434912E-01  7.390498E-02
    6.8750  7.349746E-01  7.716330E-02
    6.9250  7.519594E-01  8.054559E-02
    6.9750  7.652489E-01  8.403754E-02
    7.0250  7.748921E-01  8.762437E-02
    7.0750  7.766724E-01  9.127079E-02
    7.1250  7.848351E-01  9.500781E-02
    7.1750  7.853888E-01  9.880013E-02
    7.2250  7.886760E-01  1.026616E-01
    7.2750  7.717255E-01  1.064925E-01
    7.3250  7.978899E-01  1.105080E-01
    7.3750  8.013135E-01  1.145959E-01
    7.4250  8.110271E-01  1.187897E-01
    7.4750  7.992128E-01  1.229782E-01
    7.5250  7.914102E-01  1.271815E-01
    7.5750  7.951713E-01  1.314611E-01
    7.6250  8.033123E-01  1.358418E-01
    7.6750  8.077226E-01  1.403045E-01
    7.7250  7.840122E-01  1.446928E-01
    7.7750  7.982628E-01  1.492188E-01
    7.8250  7.852713E-01  1.537287E-01
    7.8750  7.817248E-01  1.582758E-01
    7.9250  7.665501E-01  1.627914E-01
    7.9750  7.556096E-01  1.672989E-01
    8.0250  7.538007E-01  1.718521E-01
    8.0750  7.448065E-01  1.764073E-01
    8.1250  7.558422E-01  1.810874E-01
    8.1750  7.635865E-01  1.858738E-01
    8.2250  7.515509E-01  1.906426E-01
    8.2750  7.674390E-01  1.955716E-01
    8.3250  7.440192E-01  2.004080E-01
    8.3750  7.458879E-01  2.053151E-01
    8.4250  7.661365E-01  2.104157E-01
    8.4750  7.437473E-01  2.154262E-01
    8.5250  7.595992E-01  2.206040E-01
    8.5750  7.679113E-01  2.259001E-01
    8.6250  7.623138E-01  2.312191E-01
    8.6750  7.676689E-01  2.366377E-01
    8.7250  7.779932E-01  2.421927E-01
    8.7750  7.748959E-01  2.477892E-01
    8.8250  7.780193E-01  2.534724E-01
    8.8750  7.764411E-01  2.592086E-01
    8.9250  8.063105E-01  2.652327E-01
    8.9750  7.870022E-01  2.711786E-01
    9.0250  7.773699E-01  2.771174E-01
    9.0750  7.912948E-01  2.832298E-01
    9.1250  7.875308E-01  2.893803E-01
    9.1750  7.896590E-01  2.956151E-01
    9.2250  7.957567E-01  3.019668E-01
    9.2750  8.025046E-01  3.084420E-01
    9.3250  8.205787E-01  3.151346E-01
    9.3750  8.168810E-01  3.218686E-01
    9.4250  8.231152E-01  3.287267E-01
    9.4750  8.226045E-01  3.356534E-01
    9.5250  8.352819E-01  3.427612E-01
    9.5750  8.595712E-01  3.501528E-01
    9.6250  8.535720E-01  3.575696E-01
    9.6750  8.503658E-01  3.650355E-01
    9.7250  8.528238E-01  3.726006E-01
    9.7750  8.668379E-01  3.803693E-01
    9.8250  8.786802E-01  3.883249E-01
    9.8750  8.939399E-01  3.965012E-01
    9.9250  8.802081E-01  4.046337E-01
    9.9750  8.878053E-01  4.129192E-01
   10.0250  8.996080E-01  4.213992E-01
   10.0750  9.079782E-01  4.300437E-01
   10.1250  9.075118E-01  4.387698E-01
   10.1750  9.273378E-01  4.477748E-01
   10.2250  9.317585E-01  4.569118E-01
   10.2750  9.286827E-01  4.661080E-01
   10.3250  9.437422E-01  4.755444E-01
   10.3750  9.565800E-01  4.852021E-01
   10.4250  9.636563E-01  4.950253E-01
   10.4750  9.781056E-01  5.050916E-01
   10.5250  9.636033E-01  5.151035E-01
   10.5750  9.735130E-01  5.253147E-01
   10.6250  9.820682E-01  5.357133E-01
   10.6750  9.815440E-01  5.462044E-01
   10.7250  9.774955E-01  5.567504E-01
   10.7750  9.763257E-01  5.673821E-01
   10.8250  9.770445E-01  5.781207E-01
   10.8750  9.841131E-01  5.890371E-01
   10.9250  9.835159E-01  6.000474E-01
   10.9750  9.806520E-01  6.111264E-01
   11.0250  9.762103E-01  6.222559E-01
   11.0750  9.733421E-01  6.334536E-01
   11.1250  9.952933E-01  6.450074E-01
   11.1750  9.899482E-01  6.566028E-01
   11.2250  9.871598E-01  6.682691E-01
   11.2750  9.819828E-01  6.799779E-01
   11.3250  9.752730E-01  6.917101E-01
   11.3750  9.856541E-01  7.036721E-01
   11.4250  9.840556E-01  7.157199E-01
   11.4750  9.726805E-01  7.277329E-01
   11.5250  9.771562E-01  7.399065E-01
   11.5750  9.692636E-01  7.520869E-01
   11.6250  9.671502E-01  7.643459E-01
   11.6750  9.872642E-01  7.769677E-01
   11.7250  9.811915E-01  7.896196E-01
   11.7750  9.868081E-01  8.024527E-01
   11.8250  9.777536E-01  8.152762E-01
   11.8750  9.777201E-01  8.282079E-01
   11.9250  9.894131E-01  8.414048E-01
   11.9750  9.751773E-01  8.545210E-01
   12.0250  9.831148E-01  8.678547E-01
   12.0750  9.838104E-01  8.813090E-01
   12.1250  9.753675E-01  8.947585E-01
   12.1750  9.748143E-01  9.083115E-01
   12.2250  9.771626E-01  9.220090E-01
   12.2750  9.706352E-01  9.357265E-01
   12.3250  9.736849E-01  9.495994E-01
   12.3750  9.714756E-01  9.635534E-01
   12.4250  9.685787E-01  9.775784E-01
   12.4750  9.818001E-01  9.919095E-01
   12.5250  9.625063E-01  1.006072E+00
   12.5750  9.729656E-01  1.020503E+00
   12.6250  9.763089E-01  1.035098E+00
   12.6750  9.734308E-01  1.049766E+00
   12.7250  9.682448E-01  1.064472E+00
   12.7750  9.642312E-01  1.079232E+00
   12.8250  9.664626E-01  1.094141E+00
   12.8750  9.612706E-01  1.109087E+00
   12.9250  9.536651E-01  1.124030E+00
   12.9750  9.702736E-01  1.139351E+00
   13.0250  9.537597E-01  1.154527E+00
   13.0750  9.599191E-01  1.169919E+00
   13.1250  9.577834E-01  1.185395E+00
   13.1750  9.635885E-01  1.201083E+00
   13.2250  9.686974E-01  1.216974E+00
   13.2750  9.672407E-01  1.232961E+00
   13.3250  9.712754E-01  1.249137E+00
   13.3750  9.660730E-01  1.265346E+00
   13.4250  9.606954E-01  1.281586E+00
   13.4750  9.696206E-01  1.298100E+00
   13.5250  9.699121E-01  1.314741E+00
   13.5750  9.681870E-01  1.331475E+00
   13.6250  9.675837E-01  1.348323E+00
   13.6750  9.709048E-01  1.365353E+00
   13.7250  9.647072E-01  1.382398E+00
   13.7750  9.776746E-01  1.399798E+00
   13.8250  9.767327E-01  1.417307E+00
   13.8750  9.780497E-01  1.434968E+00
   13.9250  9.832811E-01  1.452851E+00
   13.9750  9.819058E-01  1.470838E+00

g(r)  :ch2     HC      

        r      g(r)         n(r)

    2.3750  0.000000E+00  0.000000E+00
    2.4250  0.000000E+00  0.000000E+00
    2.4750  1.185445E-04  9.535634E-07
    2.5250  7.972742E-04  7.628507E-06
    2.5750  4.216375E-03  4.434070E-05
    2.6250  1.127609E-02  1.463720E-04
    2.6750  2.572553E-02  3.881003E-04
    2.7250  5.119389E-02  8.872907E-04
    2.7750  8.760414E-02  1.773151E-03
    2.8250  1.269324E-01  3.103372E-03
    2.8750  1.739503E-01  4.991427E-03
    2.9250  2.261518E-01  7.532197E-03
    2.9750  2.636169E-01  1.059600E-02
    3.0250  3.059614E-01  1.427246E-02
    3.0750  3.519243E-01  1.864216E-02
    3.1250  3.784534E-01  2.349532E-02
    3.1750  4.118664E-01  2.894732E-02
    3.2250  4.368624E-01  3.491377E-02
    3.2750  4.526026E-01  4.128834E-02
    3.3250  4.745621E-01  4.817784E-02
    3.3750  4.880504E-01  5.547784E-02
    3.4250  4.973357E-01  6.313877E-02
    3.4750  5.146079E-01  7.129889E-02
    3.5250  5.204505E-01  7.979085E-02
    3.5750  5.290343E-01  8.866947E-02
    3.6250  5.404864E-01  9.799580E-02
    3.6750  5.501290E-01  1.077522E-01
    3.7250  5.641391E-01  1.180311E-01
    3.7750  5.743142E-01  1.287783E-01
    3.8250  5.774149E-01  1.398715E-01
    3.8750  5.860896E-01  1.514278E-01
    3.9250  5.970366E-01  1.635056E-01
    3.9750  6.003800E-01  1.759625E-01
    4.0250  6.115096E-01  1.889715E-01
    4.0750  6.120980E-01  2.023185E-01
    4.1250  6.180903E-01  2.161290E-01
    4.1750  6.288711E-01  2.305230E-01
    4.2250  6.336422E-01  2.453757E-01
    4.2750  6.369465E-01  2.606613E-01
    4.3250  6.445687E-01  2.764938E-01
    4.3750  6.471254E-01  2.927587E-01
    4.4250  6.584331E-01  3.096883E-01
    4.4750  6.571283E-01  3.269683E-01
    4.5250  6.564826E-01  3.446192E-01
    4.5750  6.611376E-01  3.627903E-01
    4.6250  6.522840E-01  3.811121E-01
    4.6750  6.533911E-01  3.998639E-01
    4.7250  6.527280E-01  4.189996E-01
    4.7750  6.467419E-01  4.383631E-01
    4.8250  6.444184E-01  4.580632E-01
    4.8750  6.400981E-01  4.780390E-01
    4.9250  6.390379E-01  4.983928E-01
    4.9750  6.332257E-01  5.189731E-01
    5.0250  6.386613E-01  5.401493E-01
    5.0750  6.339066E-01  5.615883E-01
    5.1250  6.291183E-01  5.832866E-01
    5.1750  6.380621E-01  6.057249E-01
    5.2250  6.391155E-01  6.286367E-01
    5.2750  6.385138E-01  6.519670E-01
    5.3250  6.454921E-01  6.760016E-01
    5.3750  6.423614E-01  7.003708E-01
    5.4250  6.455032E-01  7.253170E-01
    5.4750  6.433968E-01  7.506422E-01
    5.5250  6.479097E-01  7.766130E-01
    5.5750  6.545293E-01  8.033261E-01
    5.6250  6.512532E-01  8.303844E-01
    5.6750  6.557358E-01  8.581155E-01
    5.7250  6.497159E-01  8.860783E-01
    5.7750  6.462984E-01  9.143819E-01
    5.8250  6.520407E-01  9.434337E-01
    5.8750  6.537076E-01  9.730618E-01
    5.9250  6.496094E-01  1.003008E+00
    5.9750  6.509162E-01  1.033522E+00
    6.0250  6.465489E-01  1.064341E+00
    6.0750  6.544756E-01  1.096058E+00
    6.1250  6.549350E-01  1.128322E+00
    6.1750  6.518182E-01  1.160959E+00
    6.2250  6.603259E-01  1.194559E+00
    6.2750  6.593242E-01  1.228649E+00
    6.3250  6.624827E-01  1.263451E+00
    6.3750  6.675520E-01  1.299076E+00
    6.4250  6.676606E-01  1.335267E+00
    6.4750  6.684657E-01  1.372069E+00
    6.5250  6.674110E-01  1.409381E+00
    6.5750  6.614983E-01  1.446933E+00
    6.6250  6.673684E-01  1.485396E+00
    6.6750  6.688085E-01  1.524526E+00
    6.7250  6.699395E-01  1.564311E+00
    6.7750  6.747376E-01  1.604980E+00
    6.8250  6.799629E-01  1.646570E+00
    6.8750  6.803332E-01  1.688796E+00
    6.9250  6.854676E-01  1.731960E+00
    6.9750  6.885494E-01  1.775948E+00
    7.0250  6.908637E-01  1.820718E+00
    7.0750  6.988543E-01  1.866653E+00
    7.1250  7.001591E-01  1.913327E+00
    7.1750  7.082506E-01  1.961205E+00
    7.2250  7.149598E-01  2.010212E+00
    7.2750  7.165748E-01  2.060013E+00
    7.3250  7.216117E-01  2.110855E+00
    7.3750  7.265333E-01  2.162745E+00
    7.4250  7.283859E-01  2.215475E+00
    7.4750  7.311442E-01  2.269120E+00
    7.5250  7.375099E-01  2.323958E+00
    7.5750  7.431634E-01  2.379954E+00
    7.6250  7.486432E-01  2.437110E+00
    7.6750  7.532087E-01  2.495370E+00
    7.7250  7.575754E-01  2.554735E+00
    7.7750  7.625847E-01  2.615268E+00
    7.8250  7.655426E-01  2.676820E+00
    7.8750  7.718594E-01  2.739676E+00
    7.9250  7.795057E-01  2.803963E+00
    7.9750  7.806718E-01  2.869161E+00
    8.0250  7.861234E-01  2.935640E+00
    8.0750  7.926725E-01  3.003511E+00
    8.1250  8.002223E-01  3.072879E+00
    8.1750  8.050784E-01  3.143530E+00
    8.2250  8.057913E-01  3.215111E+00
    8.2750  8.100551E-01  3.287948E+00
    8.3250  8.103709E-01  3.361698E+00
    8.3750  8.152131E-01  3.436781E+00
    8.4250  8.173566E-01  3.512964E+00
    8.4750  8.279260E-01  3.591050E+00
    8.5250  8.285696E-01  3.670122E+00
    8.5750  8.289197E-01  3.750158E+00
    8.6250  8.273758E-01  3.830979E+00
    8.6750  8.383421E-01  3.913824E+00
    8.7250  8.376136E-01  3.997553E+00
    8.7750  8.391106E-01  4.082396E+00
    8.8250  8.430329E-01  4.168611E+00
    8.8750  8.450897E-01  4.256017E+00
    8.9250  8.491080E-01  4.344831E+00
    8.9750  8.536021E-01  4.435119E+00
    9.0250  8.568125E-01  4.526759E+00
    9.0750  8.575374E-01  4.619495E+00
    9.1250  8.548241E-01  4.712960E+00
    9.1750  8.596283E-01  4.807982E+00
    9.2250  8.642571E-01  4.904561E+00
    9.2750  8.648322E-01  5.002254E+00
    9.3250  8.682598E-01  5.101394E+00
    9.3750  8.701731E-01  5.201822E+00
    9.4250  8.706237E-01  5.303376E+00
    9.4750  8.739404E-01  5.406401E+00
    9.5250  8.701481E-01  5.510065E+00
    9.5750  8.721732E-01  5.615064E+00
    9.6250  8.761004E-01  5.721640E+00
    9.6750  8.778520E-01  5.829541E+00
    9.7250  8.780394E-01  5.938584E+00
    9.7750  8.768319E-01  6.048599E+00
    9.8250  8.825470E-01  6.160468E+00
    9.8750  8.809080E-01  6.273267E+00
    9.9250  8.834002E-01  6.387535E+00
    9.9750  8.846488E-01  6.503120E+00
   10.0250  8.854710E-01  6.619974E+00
   10.0750  8.836292E-01  6.737752E+00
   10.1250  8.870968E-01  6.857169E+00
   10.1750  8.887037E-01  6.977987E+00
   10.2250  8.912300E-01  7.100341E+00
   10.2750  8.928639E-01  7.224122E+00
   10.3250  8.937807E-01  7.349238E+00
   10.3750  8.958662E-01  7.475864E+00
   10.4250  8.996113E-01  7.604248E+00
   10.4750  9.022283E-01  7.734244E+00
   10.5250  9.029262E-01  7.865585E+00
   10.5750  9.033108E-01  7.998233E+00
   10.6250  9.060990E-01  8.132552E+00
   10.6750  9.035987E-01  8.267764E+00
   10.7250  9.124346E-01  8.405580E+00
   10.7750  9.127866E-01  8.544738E+00
   10.8250  9.152096E-01  8.685563E+00
   10.8750  9.159070E-01  8.827800E+00
   10.9250  9.205506E-01  8.972076E+00
   10.9750  9.216413E-01  9.117849E+00
   11.0250  9.249925E-01  9.265487E+00
   11.0750  9.260847E-01  9.414643E+00
   11.1250  9.268325E-01  9.565271E+00
   11.1750  9.314317E-01  9.718010E+00
   11.2250  9.333246E-01  9.872432E+00
   11.2750  9.365012E-01  1.002876E+01
   11.3250  9.380992E-01  1.018675E+01
   11.3750  9.395993E-01  1.034640E+01
   11.4250  9.412793E-01  1.050773E+01
   11.4750  9.442786E-01  1.067100E+01
   11.5250  9.430956E-01  1.083549E+01
   11.5750  9.441064E-01  1.100159E+01
   11.6250  9.468275E-01  1.116961E+01
   11.6750  9.526987E-01  1.134013E+01
   11.7250  9.523239E-01  1.151205E+01
   11.7750  9.567056E-01  1.168623E+01
   11.8250  9.580840E-01  1.186215E+01
   11.8750  9.580921E-01  1.203956E+01
   11.9250  9.591899E-01  1.221867E+01
   11.9750  9.599600E-01  1.239943E+01
   12.0250  9.612089E-01  1.258194E+01
   12.0750  9.636344E-01  1.276644E+01
   12.1250  9.658046E-01  1.295289E+01
   12.1750  9.679532E-01  1.314129E+01
   12.2250  9.668202E-01  1.333103E+01
   12.2750  9.703195E-01  1.352301E+01
   12.3250  9.691315E-01  1.371632E+01
   12.3750  9.681823E-01  1.391102E+01
   12.4250  9.743832E-01  1.410854E+01
   12.4750  9.738652E-01  1.430756E+01
   12.5250  9.748982E-01  1.450838E+01
   12.5750  9.731516E-01  1.471045E+01
   12.6250  9.758350E-01  1.491469E+01
   12.6750  9.781860E-01  1.512105E+01
   12.7250  9.782164E-01  1.532905E+01
   12.7750  9.761940E-01  1.553825E+01
   12.8250  9.753809E-01  1.574891E+01
   12.8750  9.770939E-01  1.596160E+01
   12.9250  9.797620E-01  1.617652E+01
   12.9750  9.807748E-01  1.639333E+01
   13.0250  9.811183E-01  1.661190E+01
   13.0750  9.787283E-01  1.683161E+01
   13.1250  9.801950E-01  1.705333E+01
   13.1750  9.785970E-01  1.727639E+01
   13.2250  9.765944E-01  1.750068E+01
   13.2750  9.805466E-01  1.772758E+01
   13.3250  9.820277E-01  1.795654E+01
   13.3750  9.798120E-01  1.818670E+01
   13.4250  9.788006E-01  1.841835E+01
   13.4750  9.790210E-01  1.865178E+01
   13.5250  9.798665E-01  1.888714E+01
   13.5750  9.788602E-01  1.912401E+01
   13.6250  9.767294E-01  1.936211E+01
   13.6750  9.828244E-01  1.960345E+01
   13.7250  9.784637E-01  1.984548E+01
   13.7750  9.809085E-01  2.008989E+01
   13.8250  9.785013E-01  2.033547E+01
   13.8750  9.800942E-01  2.058323E+01
   13.9250  9.783677E-01  2.083234E+01
   13.9750  9.803813E-01  2.108377E+01

g(r)  :ch2     N       

        r      g(r)         n(r)

    3.1750  0.000000E+00  0.000000E+00
    3.2250  0.000000E+00  0.000000E+00
    3.2750  2.843576E-03  2.860690E-06
    3.3250  2.298917E-03  5.244599E-06
    3.3750  9.371486E-03  1.525701E-05
    3.4250  1.213316E-02  2.860690E-05
    3.4750  1.010273E-02  4.004966E-05
    3.5250  1.390907E-02  5.626024E-05
    3.5750  1.551137E-02  7.485472E-05
    3.6250  2.707820E-02  1.082294E-04
    3.6750  3.312119E-02  1.501862E-04
    3.7250  2.820826E-02  1.868984E-04
    3.7750  4.458763E-02  2.464961E-04
    3.8250  4.690395E-02  3.108617E-04
    3.8750  5.924249E-02  3.942985E-04
    3.9250  6.269214E-02  4.848870E-04
    3.9750  6.820254E-02  5.859647E-04
    4.0250  7.938306E-02  7.065905E-04
    4.0750  7.744699E-02  8.272162E-04
    4.1250  8.992034E-02  9.707275E-04
    4.1750  1.035273E-01  1.139985E-03
    4.2250  1.113430E-01  1.326407E-03
    4.2750  1.162636E-01  1.525701E-03
    4.3250  1.285372E-01  1.751219E-03
    4.3750  1.407537E-01  2.003913E-03
    4.4250  1.614745E-01  2.300472E-03
    4.4750  1.670244E-01  2.614194E-03
    4.5250  1.742771E-01  2.948895E-03
    4.5750  1.845745E-01  3.311249E-03
    4.6250  2.100725E-01  3.732724E-03
    4.6750  2.295591E-01  4.203307E-03
    4.7250  2.474951E-01  4.721569E-03
    4.7750  2.746659E-01  5.308964E-03
    4.8250  2.912742E-01  5.944991E-03
    4.8750  3.011579E-01  6.616299E-03
    4.9250  3.147737E-01  7.332426E-03
    4.9750  3.401067E-01  8.121976E-03
    5.0250  3.543085E-01  8.961112E-03
    5.0750  3.672954E-01  9.848402E-03
    5.1250  3.675179E-01  1.075381E-02
    5.1750  3.674734E-01  1.167686E-02
    5.2250  3.915688E-01  1.267953E-02
    5.2750  4.053720E-01  1.373751E-02
    5.3250  4.173354E-01  1.484746E-02
    5.3750  4.147097E-01  1.597123E-02
    5.4250  4.381901E-01  1.718083E-02
    5.4750  4.671916E-01  1.849436E-02
    5.5250  4.722624E-01  1.984651E-02
    5.5750  4.723340E-01  2.122346E-02
    5.6250  4.792366E-01  2.264570E-02
    5.6750  4.951362E-01  2.414136E-02
    5.7250  4.873008E-01  2.563941E-02
    5.7750  4.782896E-01  2.713555E-02
    5.8250  4.963312E-01  2.871513E-02
    5.8750  5.119247E-01  3.037242E-02
    5.9250  5.183802E-01  3.207930E-02
    5.9750  5.444829E-01  3.390252E-02
    6.0250  5.489264E-01  3.577150E-02
    6.0750  5.621035E-01  3.771725E-02
    6.1250  5.738303E-01  3.973642E-02
    6.1750  6.041688E-01  4.189719E-02
    6.2250  6.098502E-01  4.411375E-02
    6.2750  6.369628E-01  4.646619E-02
    6.3250  6.400196E-01  4.886774E-02
    6.3750  6.555355E-01  5.136655E-02
    6.4250  6.855158E-01  5.402080E-02
    6.4750  6.869728E-01  5.672224E-02
    6.5250  7.065721E-01  5.954383E-02
    6.5750  7.064493E-01  6.240834E-02
    6.6250  7.021961E-01  6.529907E-02
    6.6750  7.352974E-01  6.837192E-02
    6.7250  7.272143E-01  7.145670E-02
    6.7750  7.392228E-01  7.463922E-02
    6.8250  7.553862E-01  7.793950E-02
    6.8750  7.661632E-01  8.133609E-02
    6.9250  7.835473E-01  8.486047E-02
    6.9750  7.612785E-01  8.833430E-02
    7.0250  7.696390E-01  9.189681E-02
    7.0750  7.844919E-01  9.557995E-02
    7.1250  7.809299E-01  9.929837E-02
    7.1750  7.826240E-01  1.030773E-01
    7.2250  7.698818E-01  1.068468E-01
    7.2750  7.567424E-01  1.106033E-01
    7.3250  7.514679E-01  1.143852E-01
    7.3750  7.483225E-01  1.182028E-01
    7.4250  7.223267E-01  1.219379E-01
    7.4750  7.226121E-01  1.257249E-01
    7.5250  7.182479E-01  1.295397E-01
    7.5750  7.040136E-01  1.333287E-01
    7.6250  7.038163E-01  1.371668E-01
    7.6750  6.990770E-01  1.410292E-01
    7.7250  7.003637E-01  1.449493E-01
    7.7750  6.977757E-01  1.489056E-01
    7.8250  6.898001E-01  1.528672E-01
    7.8750  6.875440E-01  1.568664E-01
    7.9250  7.080330E-01  1.610373E-01
    7.9750  6.915099E-01  1.651624E-01
    8.0250  7.016267E-01  1.694005E-01
    8.0750  6.936664E-01  1.736429E-01
    8.1250  6.997854E-01  1.779759E-01
    8.1750  6.821241E-01  1.822517E-01
    8.2250  7.018081E-01  1.867048E-01
    8.2750  7.110948E-01  1.912719E-01
    8.3250  7.151210E-01  1.959206E-01
    8.3750  7.161016E-01  2.006316E-01
    8.4250  7.223082E-01  2.054405E-01
    8.4750  7.202508E-01  2.102927E-01
    8.5250  7.339994E-01  2.152960E-01
    8.5750  7.556751E-01  2.205077E-01
    8.6250  7.575988E-01  2.257938E-01
    8.6750  7.542271E-01  2.311175E-01
    8.7250  7.550895E-01  2.365090E-01
    8.7750  7.552891E-01  2.419638E-01
    8.8250  7.780845E-01  2.476476E-01
    8.8750  7.861216E-01  2.534552E-01
    8.9250  7.953981E-01  2.593978E-01
    8.9750  8.068807E-01  2.654940E-01
    9.0250  8.216181E-01  2.717708E-01
    9.0750  8.296868E-01  2.781797E-01
    9.1250  8.295325E-01  2.846582E-01
    9.1750  8.289095E-01  2.912030E-01
    9.2250  8.325519E-01  2.978484E-01
    9.2750  8.443996E-01  3.046616E-01
    9.3250  8.459496E-01  3.115611E-01
    9.3750  8.569616E-01  3.186256E-01
    9.4250  8.718703E-01  3.258898E-01
    9.4750  8.740739E-01  3.332499E-01
    9.5250  8.696838E-01  3.406505E-01
    9.5750  8.911752E-01  3.483138E-01
    9.6250  8.914878E-01  3.560601E-01
    9.6750  8.951676E-01  3.639194E-01
    9.7250  8.967362E-01  3.718740E-01
    9.7750  9.009390E-01  3.799483E-01
    9.8250  9.086436E-01  3.881751E-01
    9.8750  9.394475E-01  3.967677E-01
    9.9250  9.425457E-01  4.054761E-01
    9.9750  9.483445E-01  4.143266E-01
   10.0250  9.419431E-01  4.232057E-01
   10.0750  9.460381E-01  4.322126E-01
   10.1250  9.576922E-01  4.414212E-01
   10.1750  9.463883E-01  4.506111E-01
   10.2250  9.452263E-01  4.598803E-01
   10.2750  9.649383E-01  4.694354E-01
   10.3250  9.575703E-01  4.790102E-01
   10.3750  9.678195E-01  4.887813E-01
   10.4250  9.642176E-01  4.986102E-01
   10.4750  9.597600E-01  5.084877E-01
   10.5250  9.514888E-01  5.183737E-01
   10.5750  9.407853E-01  5.282417E-01
   10.6250  9.337978E-01  5.381292E-01
   10.6750  9.460810E-01  5.482412E-01
   10.7250  9.619839E-01  5.586198E-01
   10.7750  9.497492E-01  5.689622E-01
   10.8250  9.560920E-01  5.794704E-01
   10.8750  9.540687E-01  5.900536E-01
   10.9250  9.516165E-01  6.007068E-01
   10.9750  9.667253E-01  6.116284E-01
   11.0250  9.687245E-01  6.226726E-01
   11.0750  9.637687E-01  6.337601E-01
   11.1250  9.710199E-01  6.450322E-01
   11.1750  9.817257E-01  6.565312E-01
   11.2250  9.789702E-01  6.681008E-01
   11.2750  9.720662E-01  6.796914E-01
   11.3250  9.707548E-01  6.913692E-01
   11.3750  9.933149E-01  7.034242E-01
   11.4250  9.862753E-01  7.154991E-01
   11.4750  9.810191E-01  7.276151E-01
   11.5250  9.940334E-01  7.399990E-01
   11.5750  9.735129E-01  7.522328E-01
   11.6250  9.832870E-01  7.646963E-01
   11.6750  9.647018E-01  7.770297E-01
   11.7250  9.815982E-01  7.896868E-01
   11.7750  9.675603E-01  8.022696E-01
   11.8250  9.736457E-01  8.150392E-01
   11.8750  9.562357E-01  8.276868E-01
   11.9250  9.474116E-01  8.403234E-01
   11.9750  9.519234E-01  8.531269E-01
   12.0250  9.401567E-01  8.658780E-01
   12.0750  9.418000E-01  8.787578E-01
   12.1250  9.339448E-01  8.916361E-01
   12.1750  9.417215E-01  9.047290E-01
   12.2250  9.463127E-01  9.179940E-01
   12.2750  9.464461E-01  9.313697E-01
   12.3250  9.472488E-01  9.448659E-01
   12.3750  9.308799E-01  9.582368E-01
   12.4250  9.379896E-01  9.718189E-01
   12.4750  9.438124E-01  9.855955E-01
   12.5250  9.347043E-01  9.993487E-01
   12.5750  9.410124E-01  1.013306E+00
   12.6250  9.449909E-01  1.027433E+00
   12.6750  9.525479E-01  1.041787E+00
   12.7250  9.511671E-01  1.056233E+00
   12.7750  9.541083E-01  1.070837E+00
   12.8250  9.545332E-01  1.085563E+00
   12.8750  9.638771E-01  1.100549E+00
   12.9250  9.678448E-01  1.115714E+00
   12.9750  9.680392E-01  1.131000E+00
   13.0250  9.810562E-01  1.146611E+00
   13.0750  9.806143E-01  1.162335E+00
   13.1250  9.845475E-01  1.178242E+00
   13.1750  9.822429E-01  1.194234E+00
   13.2250  9.947967E-01  1.210553E+00
   13.2750  1.000124E+00  1.227084E+00
   13.3250  1.002453E+00  1.243779E+00
   13.3750  1.003184E+00  1.260611E+00
   13.4250  9.912125E-01  1.277367E+00
   13.4750  1.006071E+00  1.294501E+00
   13.5250  1.011734E+00  1.311860E+00
   13.5750  1.016184E+00  1.329424E+00
   13.6250  1.011067E+00  1.347029E+00
   13.6750  1.010075E+00  1.364746E+00
   13.7250  1.014089E+00  1.382663E+00
   13.7750  1.012876E+00  1.400690E+00
   13.8250  1.004871E+00  1.418704E+00
   13.8750  1.008547E+00  1.436915E+00
   13.9250  1.001239E+00  1.455125E+00
   13.9750  9.989281E-01  1.473423E+00

g(r)  :ch2     OS      

        r      g(r)         n(r)

    2.8750  0.000000E+00  0.000000E+00
    2.9250  0.000000E+00  0.000000E+00
    2.9750  5.743287E-04  4.767817E-07
    3.0250  0.000000E+00  4.767817E-07
    3.0750  4.300657E-03  4.291035E-06
    3.1250  3.643623E-03  7.628507E-06
    3.1750  5.042527E-03  1.239632E-05
    3.2250  4.398646E-03  1.668736E-05
    3.2750  1.090038E-02  2.765334E-05
    3.3250  1.241415E-02  4.052644E-05
    3.3750  1.918923E-02  6.102806E-05
    3.4250  2.903291E-02  9.297243E-05
    3.4750  4.251566E-02  1.411274E-04
    3.5250  4.745447E-02  1.964341E-04
    3.5750  5.051138E-02  2.569853E-04
    3.6250  6.924283E-02  3.423293E-04
    3.6750  7.791008E-02  4.410231E-04
    3.7250  9.121893E-02  5.597417E-04
    3.7750  1.048701E-01  6.999155E-04
    3.8250  1.038836E-01  8.424732E-04
    3.8750  1.266097E-01  1.020790E-03
    3.9250  1.286839E-01  1.206734E-03
    3.9750  1.457347E-01  1.422717E-03
    4.0250  1.531183E-01  1.655386E-03
    4.0750  1.744853E-01  1.927152E-03
    4.1250  1.792432E-01  2.213221E-03
    4.1750  2.076378E-01  2.552689E-03
    4.2250  2.124345E-01  2.908368E-03
    4.2750  2.289113E-01  3.300760E-03
    4.3250  2.252797E-01  3.696012E-03
    4.3750  2.544189E-01  4.152768E-03
    4.4250  2.634994E-01  4.636702E-03
    4.4750  2.807432E-01  5.164022E-03
    4.5250  2.993990E-01  5.739021E-03
    4.5750  3.120767E-01  6.351686E-03
    4.6250  3.151088E-01  6.983898E-03
    4.6750  3.377100E-01  7.676185E-03
    4.7250  3.321944E-01  8.371810E-03
    4.7750  3.691937E-01  9.161360E-03
    4.8250  4.004474E-01  1.003578E-02
    4.8750  3.914197E-01  1.090829E-02
    4.9250  4.105470E-01  1.184230E-02
    4.9750  4.070601E-01  1.278728E-02
    5.0250  4.163125E-01  1.377327E-02
    5.0750  4.304520E-01  1.481313E-02
    5.1250  4.439631E-01  1.590687E-02
    5.1750  4.720591E-01  1.709262E-02
    5.2250  4.671641E-01  1.828887E-02
    5.2750  4.950691E-01  1.958095E-02
    5.3250  4.920901E-01  2.088971E-02
    5.3750  4.995167E-01  2.224330E-02
    5.4250  5.273135E-01  2.369891E-02
    5.4750  5.267140E-01  2.517979E-02
    5.5250  5.260497E-01  2.668595E-02
    5.5750  5.501841E-01  2.828984E-02
    5.6250  5.407679E-01  2.989469E-02
    5.6750  5.615858E-01  3.159108E-02
    5.7250  5.752383E-01  3.335946E-02
    5.7750  5.944326E-01  3.521891E-02
    5.8250  6.010507E-01  3.713176E-02
    5.8750  6.113347E-01  3.911088E-02
    5.9250  6.106171E-01  4.112147E-02
    5.9750  6.360368E-01  4.325125E-02
    6.0250  6.385471E-01  4.542538E-02
    6.0750  6.390983E-01  4.763764E-02
    6.1250  6.459148E-01  4.991046E-02
    6.1750  6.433624E-01  5.221141E-02
    6.2250  6.549757E-01  5.459198E-02
    6.2750  6.489688E-01  5.698876E-02
    6.3250  6.559026E-01  5.944991E-02
    6.3750  6.730465E-01  6.201547E-02
    6.4250  6.548541E-01  6.455100E-02
    6.4750  6.781219E-01  6.721764E-02
    6.5250  6.672916E-01  6.988237E-02
    6.5750  6.560054E-01  7.254233E-02
    6.6250  6.624710E-01  7.526952E-02
    6.6750  6.748307E-01  7.808969E-02
    6.7250  7.039479E-01  8.107577E-02
    6.7750  6.966968E-01  8.407521E-02
    6.8250  7.171912E-01  8.720861E-02
    6.8750  7.034634E-01  9.032724E-02
    6.9250  7.094537E-01  9.351834E-02
    6.9750  7.078866E-01  9.674854E-02
    7.0250  7.035110E-01  1.000050E-01
    7.0750  6.923839E-01  1.032557E-01
    7.1250  6.806978E-01  1.064968E-01
    7.1750  6.746997E-01  1.097547E-01
    7.2250  6.837010E-01  1.131022E-01
    7.2750  6.873015E-01  1.165140E-01
    7.3250  6.952878E-01  1.200131E-01
    7.3750  6.781351E-01  1.234726E-01
    7.4250  6.975238E-01  1.270795E-01
    7.4750  6.913168E-01  1.307025E-01
    7.5250  6.815320E-01  1.343223E-01
    7.5750  6.816893E-01  1.379911E-01
    7.6250  6.880788E-01  1.417434E-01
    7.6750  6.894119E-01  1.455524E-01
    7.7250  6.699539E-01  1.493023E-01
    7.7750  6.661580E-01  1.530793E-01
    7.8250  6.765172E-01  1.569646E-01
    7.8750  6.779538E-01  1.609081E-01
    7.9250  6.876369E-01  1.649588E-01
    7.9750  6.903110E-01  1.690768E-01
    8.0250  6.925495E-01  1.732601E-01
    8.0750  7.074648E-01  1.775869E-01
    8.1250  7.195747E-01  1.820424E-01
    8.1750  7.081373E-01  1.864812E-01
    8.2250  7.091719E-01  1.909811E-01
    8.2750  7.148808E-01  1.955725E-01
    8.3250  7.074197E-01  2.001711E-01
    8.3750  7.253781E-01  2.049432E-01
    8.4250  7.359867E-01  2.098431E-01
    8.4750  7.505414E-01  2.148993E-01
    8.5250  7.584101E-01  2.200691E-01
    8.5750  7.680496E-01  2.253661E-01
    8.6250  7.633387E-01  2.306922E-01
    8.6750  7.655074E-01  2.360956E-01
    8.7250  7.813320E-01  2.416744E-01
    8.7750  7.970773E-01  2.474311E-01
    8.8250  7.985793E-01  2.532645E-01
    8.8750  7.954795E-01  2.591413E-01
    8.9250  8.082888E-01  2.651803E-01
    8.9750  8.323127E-01  2.714685E-01
    9.0250  8.276094E-01  2.777911E-01
    9.0750  8.348099E-01  2.842396E-01
    9.1250  8.418033E-01  2.908139E-01
    9.1750  8.528220E-01  2.975475E-01
    9.2250  8.554295E-01  3.043755E-01
    9.2750  8.643721E-01  3.113499E-01
    9.3250  8.650655E-01  3.184053E-01
    9.3750  8.824096E-01  3.256796E-01
    9.4250  8.897816E-01  3.330930E-01
    9.4750  8.898148E-01  3.405857E-01
    9.5250  8.996034E-01  3.482409E-01
    9.5750  9.287672E-01  3.562274E-01
    9.6250  9.331348E-01  3.643356E-01
    9.6750  9.370370E-01  3.725625E-01
    9.7250  9.361874E-01  3.808670E-01
    9.7750  9.229106E-01  3.891382E-01
    9.8250  9.329724E-01  3.975854E-01
    9.8750  9.127060E-01  4.059334E-01
    9.9250  9.371789E-01  4.145922E-01
    9.9750  9.446151E-01  4.234079E-01
   10.0250  9.406280E-01  4.322746E-01
   10.0750  9.380255E-01  4.412052E-01
   10.1250  9.422216E-01  4.502650E-01
   10.1750  9.338189E-01  4.593329E-01
   10.2250  9.401211E-01  4.685520E-01
   10.2750  9.518901E-01  4.779779E-01
   10.3250  9.601929E-01  4.875789E-01
   10.3750  9.598858E-01  4.972699E-01
   10.4250  9.454150E-01  5.069071E-01
   10.4750  9.470201E-01  5.166535E-01
   10.5250  9.597028E-01  5.266249E-01
   10.5750  9.591037E-01  5.366850E-01
   10.6250  9.777905E-01  5.470383E-01
   10.6750  9.672249E-01  5.573764E-01
   10.7250  9.739601E-01  5.678842E-01
   10.7750  9.811857E-01  5.785689E-01
   10.8250  9.684119E-01  5.892125E-01
   10.8750  9.752588E-01  6.000307E-01
   10.9250  9.643507E-01  6.108265E-01
   10.9750  9.668941E-01  6.217500E-01
   11.0250  9.688500E-01  6.327956E-01
   11.0750  9.588369E-01  6.438264E-01
   11.1250  9.615734E-01  6.549889E-01
   11.1750  9.639783E-01  6.662800E-01
   11.2250  9.622680E-01  6.776522E-01
   11.2750  9.775443E-01  6.893081E-01
   11.3250  9.621542E-01  7.008824E-01
   11.3750  9.661681E-01  7.126079E-01
   11.4250  9.543419E-01  7.242919E-01
   11.4750  9.490931E-01  7.360136E-01
   11.5250  9.460041E-01  7.477992E-01
   11.5750  9.474858E-01  7.597058E-01
   11.6250  9.505621E-01  7.717546E-01
   11.6750  9.518356E-01  7.839235E-01
   11.7250  9.605220E-01  7.963089E-01
   11.7750  9.548017E-01  8.087257E-01
   11.8250  9.520883E-01  8.212126E-01
   11.8750  9.457818E-01  8.337219E-01
   11.9250  9.568843E-01  8.464849E-01
   11.9750  9.466770E-01  8.592178E-01
   12.0250  9.457110E-01  8.720442E-01
   12.0750  9.386274E-01  8.848806E-01
   12.1250  9.452168E-01  8.979144E-01
   12.1750  9.569476E-01  9.112190E-01
   12.2250  9.446121E-01  9.244601E-01
   12.2750  9.514053E-01  9.379059E-01
   12.3250  9.487212E-01  9.514231E-01
   12.3750  9.577666E-01  9.651802E-01
   12.4250  9.607421E-01  9.790917E-01
   12.4750  9.552446E-01  9.930352E-01
   12.5250  9.629923E-01  1.007205E+00
   12.5750  9.582749E-01  1.021418E+00
   12.6250  9.628186E-01  1.035812E+00
   12.6750  9.674824E-01  1.050390E+00
   12.7250  9.639440E-01  1.065030E+00
   12.7750  9.804279E-01  1.080038E+00
   12.8250  9.754250E-01  1.095086E+00
   12.8750  9.726474E-01  1.110209E+00
   12.9250  9.802902E-01  1.125569E+00
   12.9750  9.729005E-01  1.140931E+00
   13.0250  9.678724E-01  1.156332E+00
   13.0750  9.696126E-01  1.171879E+00
   13.1250  9.596719E-01  1.187385E+00
   13.1750  9.649649E-01  1.203096E+00
   13.2250  9.688427E-01  1.218989E+00
   13.2750  9.647600E-01  1.234936E+00
   13.3250  9.679544E-01  1.251056E+00
   13.3750  9.774393E-01  1.267456E+00
   13.4250  9.839076E-01  1.284088E+00
   13.4750  9.808467E-01  1.300793E+00
   13.5250  9.836676E-01  1.317670E+00
   13.5750  9.947509E-01  1.334864E+00
   13.6250  9.953768E-01  1.352195E+00
   13.6750  9.942546E-01  1.369635E+00
   13.7250  9.933651E-01  1.387186E+00
   13.7750  9.917390E-01  1.404836E+00
   13.8250  1.000243E+00  1.422768E+00
   13.8750  1.002580E+00  1.440871E+00
   13.9250  1.004332E+00  1.459137E+00
   13.9750  1.014102E+00  1.477713E+00

g(r)  :ch2     Oe      

        r      g(r)         n(r)

    2.7750  0.000000E+00  0.000000E+00
    2.8250  0.000000E+00  0.000000E+00
    2.8750  1.844927E-03  1.430345E-06
    2.9250  2.970656E-03  3.814253E-06
    2.9750  3.445972E-03  6.674944E-06
    3.0250  8.887999E-03  1.430345E-05
    3.0750  1.720263E-02  2.956046E-05
    3.1250  3.071053E-02  5.769058E-05
    3.1750  5.395504E-02  1.087062E-04
    3.2250  6.500222E-02  1.721182E-04
    3.2750  7.772442E-02  2.503104E-04
    3.3250  1.089686E-01  3.633076E-04
    3.3750  9.951626E-02  4.696300E-04
    3.4250  1.269648E-01  6.093270E-04
    3.4750  1.098672E-01  7.337670E-04
    3.5250  1.517725E-01  9.106530E-04
    3.5750  1.427841E-01  1.081818E-03
    3.6250  1.613087E-01  1.280636E-03
    3.6750  1.618422E-01  1.485652E-03
    3.7250  1.630218E-01  1.697820E-03
    3.7750  1.665794E-01  1.920477E-03
    3.8250  1.650324E-01  2.146948E-03
    3.8750  1.773889E-01  2.396782E-03
    3.9250  1.748781E-01  2.649476E-03
    3.9750  1.756537E-01  2.909799E-03
    4.0250  1.841813E-01  3.189669E-03
    4.0750  1.757098E-01  3.463342E-03
    4.1250  1.861142E-01  3.760377E-03
    4.1750  1.845994E-01  4.062180E-03
    4.2250  1.677264E-01  4.343004E-03
    4.2750  1.777331E-01  4.647668E-03
    4.3250  1.899524E-01  4.980938E-03
    4.3750  2.087403E-01  5.355689E-03
    4.4250  1.915887E-01  5.707554E-03
    4.4750  2.155072E-01  6.112341E-03
    4.5250  2.050610E-01  6.506163E-03
    4.5750  2.006034E-01  6.899985E-03
    4.6250  2.207663E-01  7.342915E-03
    4.6750  2.193254E-01  7.792520E-03
    4.7250  2.276864E-01  8.269302E-03
    4.7750  2.294084E-01  8.759910E-03
    4.8250  2.242418E-01  9.249565E-03
    4.8750  2.265101E-01  9.754477E-03
    4.9250  2.347181E-01  1.028847E-02
    4.9750  2.324884E-01  1.082819E-02
    5.0250  2.431845E-01  1.140414E-02
    5.0750  2.299297E-01  1.195959E-02
    5.1250  2.339806E-01  1.253602E-02
    5.1750  2.439067E-01  1.314869E-02
    5.2250  2.619768E-01  1.381952E-02
    5.2750  2.681776E-01  1.451943E-02
    5.3250  2.809126E-01  1.526655E-02
    5.3750  2.783499E-01  1.602082E-02
    5.4250  2.915510E-01  1.682563E-02
    5.4750  2.994774E-01  1.766762E-02
    5.5250  2.874206E-01  1.849055E-02
    5.5750  3.019143E-01  1.937069E-02
    5.6250  3.078168E-01  2.028420E-02
    5.6750  3.219885E-01  2.125683E-02
    5.7250  3.311226E-01  2.227476E-02
    5.7750  3.423322E-01  2.334562E-02
    5.8250  3.574544E-01  2.448322E-02
    5.8750  3.689216E-01  2.567755E-02
    5.9250  3.893644E-01  2.695962E-02
    5.9750  3.767525E-01  2.822118E-02
    6.0250  3.922303E-01  2.955665E-02
    6.0750  4.231271E-01  3.102132E-02
    6.1250  4.251900E-01  3.251746E-02
    6.1750  4.227315E-01  3.402934E-02
    6.2250  4.275117E-01  3.558317E-02
    6.2750  4.515800E-01  3.725095E-02
    6.3250  4.639094E-01  3.899168E-02
    6.3750  4.590375E-01  4.074147E-02
    6.4250  4.585703E-01  4.251701E-02
    6.4750  4.813417E-01  4.440983E-02
    6.5250  4.970361E-01  4.639467E-02
    6.5750  4.977363E-01  4.841289E-02
    6.6250  5.126043E-01  5.052312E-02
    6.6750  5.330193E-01  5.275065E-02
    6.7250  5.378238E-01  5.503205E-02
    6.7750  5.614771E-01  5.744933E-02
    6.8250  5.656120E-01  5.992049E-02
    6.8750  5.674167E-01  6.243599E-02
    6.9250  5.875544E-01  6.507879E-02
    6.9750  5.984907E-01  6.780980E-02
    7.0250  5.803193E-01  7.049599E-02
    7.0750  6.085017E-01  7.335286E-02
    7.1250  6.190164E-01  7.630033E-02
    7.1750  6.451761E-01  7.941562E-02
    7.2250  6.592588E-01  8.264343E-02
    7.2750  6.824992E-01  8.603144E-02
    7.3250  6.851508E-01  8.947953E-02
    7.3750  6.892567E-01  9.299579E-02
    7.4250  7.090493E-01  9.666224E-02
    7.4750  6.937731E-01  1.002982E-01
    7.5250  7.206716E-01  1.041258E-01
    7.5750  7.311217E-01  1.080607E-01
    7.6250  7.345044E-01  1.120661E-01
    7.6750  7.454175E-01  1.161845E-01
    7.7250  7.628019E-01  1.204541E-01
    7.7750  7.642905E-01  1.247876E-01
    7.8250  7.786298E-01  1.292593E-01
    7.8750  7.914789E-01  1.338631E-01
    7.9250  7.839514E-01  1.384812E-01
    7.9750  7.989289E-01  1.432472E-01
    8.0250  7.980816E-01  1.480679E-01
    8.0750  8.072505E-01  1.530050E-01
    8.1250  8.169040E-01  1.580631E-01
    8.1750  8.206330E-01  1.632071E-01
    8.2250  8.185758E-01  1.684012E-01
    8.2750  8.328399E-01  1.737502E-01
    8.3250  8.400287E-01  1.792108E-01
    8.3750  8.299561E-01  1.846709E-01
    8.4250  8.453427E-01  1.902988E-01
    8.4750  8.225878E-01  1.958405E-01
    8.5250  8.490584E-01  2.016281E-01
    8.5750  8.344157E-01  2.073829E-01
    8.6250  8.325592E-01  2.131920E-01
    8.6750  8.321085E-01  2.190655E-01
    8.7250  8.402274E-01  2.250648E-01
    8.7750  8.457971E-01  2.311733E-01
    8.8250  8.427672E-01  2.373295E-01
    8.8750  8.593708E-01  2.436784E-01
    8.9250  8.376440E-01  2.499366E-01
    8.9750  8.386864E-01  2.562730E-01
    9.0250  8.578155E-01  2.628264E-01
    9.0750  8.342544E-01  2.692706E-01
    9.1250  8.477250E-01  2.758912E-01
    9.1750  8.399600E-01  2.825232E-01
    9.2250  8.275344E-01  2.891285E-01
    9.2750  8.516086E-01  2.959999E-01
    9.3250  8.517370E-01  3.029466E-01
    9.3750  8.551687E-01  3.099963E-01
    9.4250  8.598532E-01  3.171604E-01
    9.4750  8.570306E-01  3.243770E-01
    9.5250  8.640809E-01  3.317299E-01
    9.5750  8.692742E-01  3.392049E-01
    9.6250  8.597175E-01  3.466751E-01
    9.6750  8.592719E-01  3.542192E-01
    9.7250  8.584674E-01  3.618344E-01
    9.7750  8.634332E-01  3.695726E-01
    9.8250  8.567738E-01  3.773298E-01
    9.8750  8.607866E-01  3.852029E-01
    9.9250  8.538901E-01  3.930922E-01
    9.9750  8.587874E-01  4.011069E-01
   10.0250  8.585374E-01  4.091998E-01
   10.0750  8.725225E-01  4.175068E-01
   10.1250  8.679427E-01  4.258523E-01
   10.1750  8.822646E-01  4.344196E-01
   10.2250  8.655377E-01  4.429073E-01
   10.2750  8.713863E-01  4.515361E-01
   10.3250  8.936274E-01  4.604715E-01
   10.3750  8.898518E-01  4.694555E-01
   10.4250  8.925152E-01  4.785534E-01
   10.4750  8.952263E-01  4.877667E-01
   10.5250  9.013791E-01  4.971322E-01
   10.5750  9.076485E-01  5.066525E-01
   10.6250  9.106083E-01  5.162945E-01
   10.6750  9.184243E-01  5.261109E-01
   10.7250  9.252157E-01  5.360929E-01
   10.7750  9.246613E-01  5.461620E-01
   10.8250  9.219087E-01  5.562946E-01
   10.8750  9.344690E-01  5.666603E-01
   10.9250  9.307051E-01  5.770794E-01
   10.9750  9.405177E-01  5.877049E-01
   11.0250  9.230150E-01  5.982280E-01
   11.0750  9.218279E-01  6.088330E-01
   11.1250  9.308516E-01  6.196388E-01
   11.1750  9.367466E-01  6.306110E-01
   11.2250  9.432664E-01  6.417586E-01
   11.2750  9.547521E-01  6.531428E-01
   11.3250  9.682182E-01  6.647901E-01
   11.3750  9.642823E-01  6.764927E-01
   11.4250  9.806675E-01  6.884990E-01
   11.4750  9.696693E-01  7.004748E-01
   11.5250  9.736353E-01  7.126046E-01
   11.5750  9.711986E-01  7.248092E-01
   11.6250  9.814438E-01  7.372494E-01
   11.6750  9.895018E-01  7.498999E-01
   11.7250  9.876992E-01  7.626357E-01
   11.7750  1.001766E+00  7.756633E-01
   11.8250  9.870600E-01  7.886088E-01
   11.8750  1.005477E+00  8.019077E-01
   11.9250  1.005570E+00  8.153200E-01
   11.9750  9.931495E-01  8.286780E-01
   12.0250  1.002274E+00  8.422716E-01
   12.0750  1.000893E+00  8.559595E-01
   12.1250  9.992252E-01  8.697380E-01
   12.1750  1.002592E+00  8.836772E-01
   12.2250  1.000258E+00  8.976984E-01
   12.2750  9.986028E-01  9.118111E-01
   12.3250  9.967077E-01  9.260121E-01
   12.3750  9.989930E-01  9.403613E-01
   12.4250  9.950520E-01  9.547696E-01
   12.4750  9.732749E-01  9.689763E-01
   12.5250  9.841192E-01  9.834566E-01
   12.5750  9.900995E-01  9.981415E-01
   12.6250  9.667732E-01  1.012595E+00
   12.6750  9.859290E-01  1.027451E+00
   12.7250  9.756220E-01  1.042269E+00
   12.7750  9.829196E-01  1.057314E+00
   12.8250  9.685950E-01  1.072257E+00
   12.8750  9.739661E-01  1.087400E+00
   12.9250  9.693359E-01  1.102589E+00
   12.9750  9.675560E-01  1.117867E+00
   13.0250  9.750635E-01  1.133382E+00
   13.0750  9.820713E-01  1.149129E+00
   13.1250  9.858163E-01  1.165058E+00
   13.1750  9.720225E-01  1.180883E+00
   13.2250  9.704702E-01  1.196803E+00
   13.2750  9.668946E-01  1.212785E+00
   13.3250  9.609403E-01  1.228788E+00
   13.3750  9.562128E-01  1.244832E+00
   13.4250  9.636005E-01  1.261121E+00
   13.4750  9.637415E-01  1.277535E+00
   13.5250  9.732468E-01  1.294233E+00
   13.5750  9.729867E-01  1.311050E+00
   13.6250  9.758258E-01  1.328042E+00
   13.6750  9.776189E-01  1.345189E+00
   13.7250  9.770663E-01  1.362452E+00
   13.7750  9.754244E-01  1.379812E+00
   13.8250  9.687274E-01  1.397179E+00
   13.8750  9.706300E-01  1.414705E+00
   13.9250  9.825995E-01  1.432576E+00
   13.9750  9.733426E-01  1.450406E+00

g(r)  :ch2     O       

        r      g(r)         n(r)

    2.7750  0.000000E+00  0.000000E+00
    2.8250  0.000000E+00  0.000000E+00
    2.8750  4.304831E-03  3.337472E-06
    2.9250  4.753050E-03  7.151725E-06
    2.9750  2.469613E-02  2.765334E-05
    3.0250  4.666200E-02  6.770300E-05
    3.0750  6.934810E-02  1.292078E-04
    3.1250  1.150344E-01  2.345766E-04
    3.1750  1.487546E-01  3.752272E-04
    3.2250  1.813220E-01  5.521132E-04
    3.2750  2.184814E-01  7.719095E-04
    3.3250  2.298917E-01  1.010300E-03
    3.3750  2.793595E-01  1.308766E-03
    3.4250  2.985623E-01  1.637268E-03
    3.4750  3.169732E-01  1.996285E-03
    3.5250  3.215450E-01  2.371035E-03
    3.5750  3.416478E-01  2.780591E-03
    3.6250  3.520166E-01  3.214462E-03
    3.6750  3.733662E-01  3.687430E-03
    3.7250  4.092030E-01  4.219995E-03
    3.7750  4.308949E-01  4.795947E-03
    3.8250  4.203983E-01  5.372853E-03
    3.8750  3.889692E-01  5.920675E-03
    3.9250  4.348855E-01  6.549073E-03
    3.9750  3.995639E-01  7.141236E-03
    4.0250  4.235855E-01  7.784891E-03
    4.0750  4.310093E-01  8.456200E-03
    4.1250  4.600576E-01  9.190444E-03
    4.1750  4.356895E-01  9.902756E-03
    4.2250  4.356900E-01  1.063223E-02
    4.2750  4.300084E-01  1.136934E-02
    4.3250  4.603424E-01  1.217700E-02
    4.3750  4.522707E-01  1.298896E-02
    4.4250  4.607994E-01  1.383525E-02
    4.4750  4.645208E-01  1.470776E-02
    4.5250  4.726831E-01  1.561555E-02
    4.5750  4.492932E-01  1.649760E-02
    4.6250  4.641082E-01  1.742875E-02
    4.6750  4.819112E-01  1.841665E-02
    4.7250  4.706277E-01  1.940215E-02
    4.7750  4.708557E-01  2.040912E-02
    4.8250  4.657330E-01  2.142609E-02
    4.8750  4.744093E-01  2.248359E-02
    4.9250  4.627299E-01  2.353633E-02
    4.9750  4.651822E-01  2.461624E-02
    5.0250  4.626142E-01  2.571188E-02
    5.0750  4.578857E-01  2.681802E-02
    5.1250  4.493820E-01  2.792510E-02
    5.1750  4.373238E-01  2.902361E-02
    5.2250  4.511513E-01  3.017885E-02
    5.2750  4.612728E-01  3.138272E-02
    5.3250  4.381305E-01  3.254798E-02
    5.3750  4.530664E-01  3.377569E-02
    5.4250  4.494169E-01  3.501628E-02
    5.4750  4.342932E-01  3.623732E-02
    5.5250  4.339619E-01  3.747981E-02
    5.5750  4.338996E-01  3.874471E-02
    5.6250  4.249349E-01  4.000580E-02
    5.6750  4.357893E-01  4.132219E-02
    5.7250  4.446503E-01  4.268912E-02
    5.7750  4.208278E-01  4.400552E-02
    5.8250  4.432973E-01  4.541632E-02
    5.8750  4.354895E-01  4.682616E-02
    5.9250  4.464151E-01  4.829608E-02
    5.9750  4.357002E-01  4.975503E-02
    6.0250  4.376008E-01  5.124497E-02
    6.0750  4.505367E-01  5.280453E-02
    6.1250  4.665166E-01  5.444608E-02
    6.1750  4.741898E-01  5.614200E-02
    6.2250  4.587322E-01  5.780930E-02
    6.2750  4.767539E-01  5.957006E-02
    6.3250  4.768699E-01  6.135942E-02
    6.3750  4.851788E-01  6.320886E-02
    6.4250  4.947732E-01  6.512456E-02
    6.4750  4.872827E-01  6.704075E-02
    6.5250  4.938125E-01  6.901272E-02
    6.5750  5.240753E-01  7.113773E-02
    6.6250  5.361151E-01  7.334476E-02
    6.6750  5.213823E-01  7.552365E-02
    6.7250  5.316419E-01  7.777883E-02
    6.7750  5.515101E-01  8.015320E-02
    6.8250  5.488063E-01  8.255093E-02
    6.8750  5.613941E-01  8.503973E-02
    6.9250  5.750465E-01  8.762628E-02
    6.9750  5.873108E-01  9.030627E-02
    7.0250  5.868085E-01  9.302249E-02
    7.0750  5.999713E-01  9.583932E-02
    7.1250  6.137094E-01  9.876151E-02
    7.1750  6.402390E-01  1.018530E-01
    7.2250  6.510789E-01  1.050407E-01
    7.2750  6.793297E-01  1.084130E-01
    7.3250  6.912141E-01  1.118916E-01
    7.3750  7.000979E-01  1.154632E-01
    7.4250  7.143050E-01  1.191568E-01
    7.4750  7.396244E-01  1.230330E-01
    7.5250  7.425755E-01  1.269770E-01
    7.5750  7.871097E-01  1.312132E-01
    7.6250  7.825038E-01  1.354804E-01
    7.6750  7.965042E-01  1.398811E-01
    7.7250  8.080334E-01  1.444038E-01
    7.7750  8.359349E-01  1.491435E-01
    7.8250  8.510219E-01  1.540310E-01
    7.8750  8.350857E-01  1.588885E-01
    7.9250  8.549328E-01  1.639247E-01
    7.9750  8.436868E-01  1.689576E-01
    8.0250  8.725145E-01  1.742279E-01
    8.0750  8.710978E-01  1.795555E-01
    8.1250  8.873599E-01  1.850499E-01
    8.1750  8.855139E-01  1.906006E-01
    8.2250  9.112235E-01  1.963826E-01
    8.2750  8.883675E-01  2.020882E-01
    8.3250  9.042063E-01  2.079660E-01
    8.3750  8.975005E-01  2.138704E-01
    8.4250  8.822243E-01  2.197439E-01
    8.4750  8.872030E-01  2.257208E-01
    8.5250  8.858493E-01  2.317593E-01
    8.5750  8.933847E-01  2.379207E-01
    8.6250  9.034197E-01  2.442243E-01
    8.6750  8.938462E-01  2.505335E-01
    8.7250  8.889062E-01  2.568804E-01
    8.7750  8.864629E-01  2.632827E-01
    8.8250  8.554296E-01  2.695314E-01
    8.8750  8.731171E-01  2.759817E-01
    8.9250  8.768906E-01  2.825332E-01
    8.9750  8.714388E-01  2.891171E-01
    9.0250  8.659911E-01  2.957329E-01
    9.0750  8.726464E-01  3.024736E-01
    9.1250  8.650019E-01  3.092292E-01
    9.1750  8.579548E-01  3.160033E-01
    9.2250  8.628960E-01  3.228909E-01
    9.2750  8.446360E-01  3.297060E-01
    9.3250  8.565890E-01  3.366923E-01
    9.3750  8.278121E-01  3.435164E-01
    9.4250  8.361623E-01  3.504832E-01
    9.4750  8.183012E-01  3.573736E-01
    9.5250  8.348337E-01  3.644777E-01
    9.5750  8.214802E-01  3.715417E-01
    9.6250  8.207043E-01  3.786729E-01
    9.6750  8.263086E-01  3.859276E-01
    9.7250  8.251435E-01  3.932472E-01
    9.7750  8.217777E-01  4.006120E-01
    9.8250  8.148040E-01  4.079892E-01
    9.8750  8.132982E-01  4.154280E-01
    9.9250  8.052792E-01  4.228682E-01
    9.9750  8.080571E-01  4.304094E-01
   10.0250  8.097281E-01  4.380422E-01
   10.0750  8.073199E-01  4.457284E-01
   10.1250  8.093823E-01  4.535109E-01
   10.1750  8.111198E-01  4.613874E-01
   10.2250  8.180843E-01  4.694097E-01
   10.2750  8.158714E-01  4.774888E-01
   10.3250  8.212446E-01  4.857004E-01
   10.3750  8.369603E-01  4.941504E-01
   10.4250  8.357800E-01  5.026700E-01
   10.4750  8.366687E-01  5.112807E-01
   10.5250  8.403938E-01  5.200124E-01
   10.5750  8.454204E-01  5.288801E-01
   10.6250  8.488744E-01  5.378684E-01
   10.6750  8.433498E-01  5.468824E-01
   10.7250  8.642742E-01  5.562068E-01
   10.7750  8.690126E-01  5.656700E-01
   10.8250  8.695058E-01  5.752266E-01
   10.8750  8.773031E-01  5.849582E-01
   10.9250  8.931413E-01  5.949568E-01
   10.9750  8.980202E-01  6.051022E-01
   11.0250  9.077088E-01  6.154508E-01
   11.0750  9.188025E-01  6.260210E-01
   11.1250  9.204194E-01  6.367057E-01
   11.1750  9.340194E-01  6.476459E-01
   11.2250  9.303968E-01  6.586415E-01
   11.2750  9.258020E-01  6.696804E-01
   11.3250  9.466177E-01  6.810679E-01
   11.3750  9.568965E-01  6.926808E-01
   11.4250  9.574184E-01  7.044025E-01
   11.4750  9.607517E-01  7.162682E-01
   11.5250  9.613505E-01  7.282449E-01
   11.5750  9.608029E-01  7.403189E-01
   11.6250  9.741090E-01  7.526662E-01
   11.6750  9.865183E-01  7.652785E-01
   11.7250  1.004227E+00  7.782274E-01
   11.7750  9.994567E-01  7.912249E-01
   11.8250  9.969844E-01  8.043007E-01
   11.8750  1.000502E+00  8.175337E-01
   11.9250  1.024659E+00  8.312007E-01
   11.9750  1.023032E+00  8.449606E-01
   12.0250  1.029870E+00  8.589284E-01
   12.0750  1.030737E+00  8.730245E-01
   12.1250  1.044140E+00  8.874223E-01
   12.1750  1.046315E+00  9.019694E-01
   12.2250  1.042332E+00  9.165804E-01
   12.2750  1.036590E+00  9.312300E-01
   12.3250  1.040578E+00  9.460560E-01
   12.3750  1.044701E+00  9.610617E-01
   12.4250  1.038022E+00  9.760923E-01
   12.4750  1.046278E+00  9.913645E-01
   12.5250  1.043255E+00  1.006715E+00
   12.5750  1.035233E+00  1.022069E+00
   12.6250  1.032534E+00  1.037506E+00
   12.6750  1.035827E+00  1.053114E+00
   12.7250  1.033667E+00  1.068813E+00
   12.7750  1.031759E+00  1.084606E+00
   12.8250  1.021875E+00  1.100371E+00
   12.8750  1.035389E+00  1.116469E+00
   12.9250  1.020365E+00  1.132457E+00
   12.9750  1.029304E+00  1.148710E+00
   13.0250  1.013626E+00  1.164839E+00
   13.0750  1.006573E+00  1.180979E+00
   13.1250  1.004761E+00  1.197214E+00
   13.1750  1.007252E+00  1.213612E+00
   13.2250  1.011276E+00  1.230202E+00
   13.2750  9.979321E-01  1.246697E+00
   13.3250  9.831852E-01  1.263070E+00
   13.3750  9.878394E-01  1.279645E+00
   13.4250  9.888434E-01  1.296361E+00
   13.4750  9.819945E-01  1.313085E+00
   13.5250  9.886974E-01  1.330049E+00
   13.5750  9.916338E-01  1.347189E+00
   13.6250  9.776878E-01  1.364212E+00
   13.6750  9.699263E-01  1.381225E+00
   13.7250  9.758520E-01  1.398466E+00
   13.7750  9.687270E-01  1.415707E+00
   13.8250  9.638337E-01  1.432986E+00
   13.8750  9.541008E-01  1.450214E+00
   13.9250  9.479954E-01  1.467455E+00
   13.9750  9.414323E-01  1.484701E+00

g(r)  :ch2     K       

        r      g(r)         n(r)

    3.2250  0.000000E+00  0.000000E+00
    3.2750  0.000000E+00  0.000000E+00
    3.3250  8.173925E-04  4.767817E-07
    3.3750  7.933533E-04  9.535634E-07
    3.4250  1.540718E-03  1.907127E-06
    3.4750  3.741752E-03  4.291035E-06
    3.5250  3.636358E-03  6.674944E-06
    3.5750  1.131313E-02  1.430345E-05
    3.6250  6.877003E-03  1.907127E-05
    3.6750  1.003672E-02  2.622299E-05
    3.7250  1.367673E-02  3.623541E-05
    3.7750  1.902406E-02  5.053886E-05
    3.8250  1.358863E-02  6.102806E-05
    3.8750  1.745302E-02  7.485472E-05
    3.9250  2.522350E-02  9.535634E-05
    3.9750  2.402102E-02  1.153812E-04
    4.0250  3.179506E-02  1.425577E-04
    4.0750  2.666598E-02  1.659200E-04
    4.1250  2.549237E-02  1.888055E-04
    4.1750  3.006990E-02  2.164589E-04
    4.2250  2.683116E-02  2.417283E-04
    4.2750  3.461330E-02  2.751030E-04
    4.3250  3.575006E-02  3.103849E-04
    4.3750  2.596713E-02  3.366079E-04
    4.4250  2.676819E-02  3.642612E-04
    4.4750  2.256324E-02  3.881003E-04
    4.5250  2.250872E-02  4.124162E-04
    4.5750  2.158766E-02  4.362552E-04
    4.6250  2.281331E-02  4.620015E-04
    4.6750  2.067401E-02  4.858405E-04
    4.7250  1.942924E-02  5.087261E-04
    4.7750  2.496962E-02  5.387633E-04
    4.8250  2.367846E-02  5.678470E-04
    4.8750  2.585699E-02  6.002681E-04
    4.9250  3.017804E-02  6.388875E-04
    4.9750  2.993961E-02  6.779836E-04
    5.0250  3.793607E-02  7.285224E-04
    5.0750  2.666614E-02  7.647578E-04
    5.1250  3.337357E-02  8.110056E-04
    5.1750  3.306923E-02  8.577303E-04
    5.2250  2.813618E-02  8.982567E-04
    5.2750  3.702362E-02  9.526098E-04
    5.3250  3.410072E-02  1.003625E-03
    5.3750  2.909009E-02  1.047966E-03
    5.4250  3.224103E-02  1.098028E-03
    5.4750  2.984600E-02  1.145230E-03
    5.5250  3.138055E-02  1.195768E-03
    5.5750  2.878490E-02  1.242970E-03
    5.6250  2.856105E-02  1.290648E-03
    5.6750  2.721820E-02  1.336896E-03
    5.7250  2.564197E-02  1.381237E-03
    5.7750  3.170307E-02  1.437020E-03
    5.8250  3.009581E-02  1.490896E-03
    5.8750  2.461113E-02  1.535714E-03
    5.9250  3.192012E-02  1.594835E-03
    5.9750  2.809744E-02  1.647758E-03
    6.0250  2.987355E-02  1.704971E-03
    6.0750  3.134275E-02  1.765999E-03
    6.1250  3.565080E-02  1.836563E-03
    6.1750  3.436480E-02  1.905696E-03
    6.2250  3.801270E-02  1.983412E-03
    6.2750  3.580280E-02  2.057790E-03
    6.3250  3.885324E-02  2.139796E-03
    6.3750  4.758536E-02  2.241827E-03
    6.4250  4.531521E-02  2.340521E-03
    6.4750  5.431765E-02  2.460670E-03
    6.5250  4.775749E-02  2.567946E-03
    6.5750  5.184182E-02  2.686188E-03
    6.6250  4.776792E-02  2.796801E-03
    6.6750  5.334250E-02  2.922195E-03
    6.7250  5.075388E-02  3.043297E-03
    6.7750  5.197632E-02  3.169168E-03
    6.8250  5.005352E-02  3.292178E-03
    6.8750  4.607781E-02  3.407082E-03
    6.9250  4.937215E-02  3.531999E-03
    6.9750  5.201036E-02  3.665498E-03
    7.0250  4.962459E-02  3.794705E-03
    7.0750  5.163373E-02  3.931065E-03
    7.1250  5.589594E-02  4.080774E-03
    7.1750  5.810381E-02  4.238589E-03
    7.2250  6.457338E-02  4.416429E-03
    7.2750  6.625004E-02  4.601420E-03
    7.3250  7.090670E-02  4.802145E-03
    7.3750  7.642831E-02  5.021465E-03
    7.4250  7.523853E-02  5.240308E-03
    7.4750  7.973428E-02  5.475361E-03
    7.5250  8.027412E-02  5.715182E-03
    7.5750  7.984786E-02  5.956910E-03
    7.6250  8.610942E-02  6.221047E-03
    7.6750  9.665056E-02  6.521420E-03
    7.7250  9.192049E-02  6.810826E-03
    7.7750  9.223697E-02  7.105001E-03
    7.8250  9.061923E-02  7.397745E-03
    7.8750  1.033156E-01  7.735783E-03
    7.9250  1.094982E-01  8.098614E-03
    7.9750  1.192124E-01  8.498634E-03
    8.0250  1.192750E-01  8.903898E-03
    8.0750  1.258408E-01  9.336816E-03
    8.1250  1.297724E-01  9.788805E-03
    8.1750  1.334635E-01  1.025939E-02
    8.2250  1.395935E-01  1.075763E-02
    8.2750  1.451702E-01  1.128209E-02
    8.3250  1.442140E-01  1.180941E-02
    8.3750  1.477797E-01  1.235627E-02
    8.4250  1.520146E-01  1.292555E-02
    8.4750  1.488422E-01  1.348958E-02
    8.5250  1.585413E-01  1.409748E-02
    8.5750  1.597703E-01  1.471730E-02
    8.6250  1.591380E-01  1.534188E-02
    8.6750  1.610315E-01  1.598125E-02
    8.7250  1.580040E-01  1.661584E-02
    8.7750  1.671232E-01  1.729478E-02
    8.8250  1.735894E-01  1.800804E-02
    8.8750  1.762282E-01  1.874038E-02
    8.9250  1.783434E-01  1.948988E-02
    8.9750  1.799519E-01  2.025464E-02
    9.0250  1.787402E-01  2.102273E-02
    9.0750  1.820431E-01  2.181372E-02
    9.1250  1.785341E-01  2.259802E-02
    9.1750  1.903346E-01  2.344336E-02
    9.2250  1.927369E-01  2.430871E-02
    9.2750  1.874080E-01  2.515929E-02
    9.3250  1.970433E-01  2.606327E-02
    9.3750  1.931992E-01  2.695914E-02
    9.4250  1.928842E-01  2.786312E-02
    9.4750  2.031346E-01  2.882527E-02
    9.5250  1.957284E-01  2.976214E-02
    9.5750  2.045322E-01  3.075147E-02
    9.6250  2.014372E-01  3.173602E-02
    9.6750  1.999398E-01  3.272343E-02
    9.7250  2.092599E-01  3.376759E-02
    9.7750  2.133668E-01  3.484321E-02
    9.8250  1.990304E-01  3.585684E-02
    9.8750  2.045264E-01  3.690910E-02
    9.9250  2.088009E-01  3.799426E-02
    9.9750  2.124348E-01  3.910945E-02
   10.0250  2.135581E-01  4.024180E-02
   10.0750  2.169635E-01  4.140372E-02
   10.1250  2.152667E-01  4.256802E-02
   10.1750  2.194410E-01  4.376665E-02
   10.2250  2.221405E-01  4.499198E-02
   10.2750  2.161320E-01  4.619585E-02
   10.3250  2.226055E-01  4.744788E-02
   10.3750  2.286087E-01  4.874616E-02
   10.4250  2.263379E-01  5.004396E-02
   10.4750  2.163582E-01  5.129646E-02
   10.5250  2.174890E-01  5.256756E-02
   10.5750  2.202050E-01  5.386679E-02
   10.6250  2.204588E-01  5.517985E-02
   10.6750  2.200638E-01  5.650292E-02
   10.7250  2.193523E-01  5.783410E-02
   10.7750  2.163872E-01  5.915955E-02
   10.8250  2.115395E-01  6.046736E-02
   10.8750  2.129609E-01  6.179615E-02
   10.9250  2.198746E-01  6.318073E-02
   10.9750  2.151748E-01  6.454813E-02
   11.0250  2.225953E-01  6.597562E-02
   11.0750  2.183796E-01  6.738880E-02
   11.1250  2.289799E-01  6.888399E-02
   11.1750  2.324352E-01  7.041541E-02
   11.2250  2.271417E-01  7.192538E-02
   11.2750  2.303209E-01  7.347015E-02
   11.3250  2.204001E-01  7.496152E-02
   11.3750  2.171398E-01  7.644384E-02
   11.4250  2.288129E-01  7.801960E-02
   11.4750  2.283331E-01  7.960585E-02
   11.5250  2.345886E-01  8.124980E-02
   11.5750  2.372203E-01  8.292664E-02
   11.6250  2.389288E-01  8.463018E-02
   11.6750  2.396050E-01  8.635327E-02
   11.7250  2.461113E-01  8.813834E-02
   11.7750  2.395936E-01  8.989099E-02
   11.8250  2.395105E-01  9.165794E-02
   11.8750  2.486486E-01  9.350785E-02
   11.9250  2.555917E-01  9.542547E-02
   11.9750  2.553524E-01  9.735739E-02
   12.0250  2.628577E-01  9.936273E-02
   12.0750  2.627306E-01  1.013838E-01
   12.1250  2.689895E-01  1.034702E-01
   12.1750  2.645899E-01  1.055394E-01
   12.2250  2.630347E-01  1.076134E-01
   12.2750  2.656343E-01  1.097251E-01
   12.3250  2.636025E-01  1.118377E-01
   12.3750  2.690890E-01  1.140119E-01
   12.4250  2.822058E-01  1.163104E-01
   12.4750  2.821547E-01  1.186271E-01
   12.5250  2.870496E-01  1.210029E-01
   12.5750  2.961440E-01  1.234736E-01
   12.6250  2.986222E-01  1.259848E-01
   12.6750  2.918271E-01  1.284583E-01
   12.7250  3.075647E-01  1.310859E-01
   12.7750  2.987939E-01  1.336586E-01
   12.8250  3.019080E-01  1.362785E-01
   12.8750  2.976595E-01  1.388817E-01
   12.9250  3.077489E-01  1.415941E-01
   12.9750  2.998526E-01  1.442575E-01
   13.0250  3.004314E-01  1.469465E-01
   13.0750  2.926933E-01  1.495864E-01
   13.1250  3.050512E-01  1.523589E-01
   13.1750  3.045103E-01  1.551476E-01
   13.2250  3.082574E-01  1.579921E-01
   13.2750  3.046064E-01  1.608242E-01
   13.3250  3.094502E-01  1.637230E-01
   13.3750  3.152741E-01  1.666986E-01
   13.4250  3.067125E-01  1.696151E-01
   13.4750  3.139964E-01  1.726231E-01
   13.5250  3.148902E-01  1.756621E-01
   13.5750  3.100248E-01  1.786763E-01
   13.6250  3.128650E-01  1.817406E-01
   13.6750  3.068603E-01  1.847682E-01
   13.7250  3.169577E-01  1.879183E-01
   13.7750  3.143275E-01  1.910650E-01
   13.8250  3.149422E-01  1.942409E-01
   13.8750  3.157746E-01  1.974482E-01
   13.9250  3.207347E-01  2.007294E-01
   13.9750  3.244591E-01  2.040726E-01

g(r)  :ch2     cl      

        r      g(r)         n(r)

    4.0250  0.000000E+00  0.000000E+00
    4.0750  0.000000E+00  0.000000E+00
    4.1250  1.593273E-03  1.430345E-06
    4.1750  5.184466E-04  1.907127E-06
    4.2250  5.062484E-04  2.383908E-06
    4.2750  4.944757E-04  2.860690E-06
    4.3250  4.831090E-04  3.337472E-06
    4.3750  9.442594E-04  4.291035E-06
    4.4250  1.384561E-03  5.721380E-06
    4.4750  2.707589E-03  8.582070E-06
    4.5250  3.089432E-03  1.191954E-05
    4.5750  3.022273E-03  1.525701E-05
    4.6250  1.267406E-03  1.668736E-05
    4.6750  2.067401E-03  1.907127E-05
    4.7250  2.428654E-03  2.193196E-05
    4.7750  1.585373E-03  2.383908E-05
    4.8250  3.493543E-03  2.813012E-05
    4.8750  5.323499E-03  3.480506E-05
    4.9250  1.862842E-03  3.718897E-05
    4.9750  4.381407E-03  4.291035E-05
    5.0250  5.368311E-03  5.006208E-05
    5.0750  8.070016E-03  6.102806E-05
    5.1250  3.784632E-03  6.627265E-05
    5.1750  8.773470E-03  7.866898E-05
    5.2250  7.282306E-03  8.915818E-05
    5.2750  9.743057E-03  1.034616E-04
    5.3250  5.736569E-03  1.120437E-04
    5.3750  9.383899E-03  1.263471E-04
    5.4250  5.834091E-03  1.354060E-04
    5.4750  6.632444E-03  1.458952E-04
    5.5250  8.881286E-03  1.601986E-04
    5.5750  8.141183E-03  1.735485E-04
    5.6250  9.425148E-03  1.892823E-04
    5.6750  1.010160E-02  2.064465E-04
    5.7250  1.240740E-02  2.279016E-04
    5.7750  9.212858E-03  2.441122E-04
    5.8250  1.038705E-02  2.627067E-04
    5.8750  8.116438E-03  2.774869E-04
    5.9250  5.920668E-03  2.884529E-04
    5.9750  7.593903E-03  3.027564E-04
    6.0250  5.974710E-03  3.141991E-04
    6.0750  4.407574E-03  3.227812E-04
    6.1250  6.985630E-03  3.366079E-04
    6.1750  6.635962E-03  3.499578E-04
    6.2250  7.929029E-03  3.661683E-04
    6.2750  9.409710E-03  3.857164E-04
    6.3250  1.264989E-02  4.124162E-04
    6.3750  1.489822E-02  4.443605E-04
    6.4250  1.598073E-02  4.791656E-04
    6.4750  1.207059E-02  5.058654E-04
    6.5250  1.655593E-02  5.430543E-04
    6.5750  1.985876E-02  5.883486E-04
    6.6250  2.347217E-02  6.427017E-04
    6.6750  2.393313E-02  6.989620E-04
    6.7250  2.557676E-02  7.599900E-04
    6.7750  2.382248E-02  8.176806E-04
    6.8250  2.832486E-02  8.872907E-04
    6.8750  3.039989E-02  9.630990E-04
    6.9250  2.487452E-02  1.026034E-03
    6.9750  2.693394E-02  1.095168E-03
    7.0250  2.765060E-02  1.167162E-03
    7.0750  2.419203E-02  1.231050E-03
    7.1250  3.044015E-02  1.312580E-03
    7.1750  3.282602E-02  1.401738E-03
    7.2250  3.098830E-02  1.487082E-03
    7.2750  3.124680E-02  1.574333E-03
    7.3250  2.846374E-02  1.654909E-03
    7.3750  3.306355E-02  1.749789E-03
    7.4250  2.966922E-02  1.836086E-03
    7.4750  3.541949E-02  1.940501E-03
    7.5250  3.718463E-02  2.051592E-03
    7.5750  3.669537E-02  2.162682E-03
    7.6250  4.600792E-02  2.303809E-03
    7.6750  3.988753E-02  2.427772E-03
    7.7250  3.876713E-02  2.549828E-03
    7.7750  4.514678E-02  2.693817E-03
    7.8250  4.265302E-02  2.831606E-03
    7.8750  4.400748E-02  2.975594E-03
    7.9250  4.892165E-02  3.137700E-03
    7.9750  4.518419E-02  3.289317E-03
    8.0250  4.714872E-02  3.449515E-03
    8.0750  4.393342E-02  3.600655E-03
    8.1250  4.914377E-02  3.771820E-03
    8.1750  4.462305E-02  3.929158E-03
    8.2250  4.608590E-02  4.093648E-03
    8.2750  4.909393E-02  4.271010E-03
    8.3250  4.915794E-02  4.450757E-03
    8.3750  5.488590E-02  4.653866E-03
    8.4250  5.767389E-02  4.869848E-03
    8.4750  5.573721E-02  5.081062E-03
    8.5250  5.831832E-02  5.304673E-03
    8.5750  5.800890E-02  5.529714E-03
    8.6250  5.843160E-02  5.759046E-03
    8.6750  5.956123E-02  5.995530E-03
    8.7250  5.460695E-02  6.214849E-03
    8.7750  6.255383E-02  6.468974E-03
    8.8250  6.660448E-02  6.742647E-03
    8.8750  6.287309E-02  7.003923E-03
    8.9250  6.160336E-02  7.262815E-03
    8.9750  6.787463E-02  7.551268E-03
    9.0250  7.000934E-02  7.852118E-03
    9.0750  6.550917E-02  8.136756E-03
    9.1250  7.662315E-02  8.473364E-03
    9.1750  7.385797E-02  8.801390E-03
    9.2250  6.679424E-02  9.101286E-03
    9.2750  7.048810E-02  9.421206E-03
    9.3250  7.513836E-02  9.765919E-03
    9.3750  7.783491E-02  1.012684E-02
    9.4250  8.219961E-02  1.051208E-02
    9.4750  7.750923E-02  1.087920E-02
    9.5250  8.466621E-02  1.128447E-02
    9.5750  8.181288E-02  1.168020E-02
    9.6250  8.662289E-02  1.210358E-02
    9.6750  8.823999E-02  1.253936E-02
    9.7250  8.800384E-02  1.297847E-02
    9.7750  9.107810E-02  1.343762E-02
    9.8250  9.717475E-02  1.393251E-02
    9.8750  9.471045E-02  1.441979E-02
    9.9250  9.559340E-02  1.491659E-02
    9.9750  9.827039E-02  1.543247E-02
   10.0250  9.819178E-02  1.595312E-02
   10.0750  9.276814E-02  1.644992E-02
   10.1250  9.837741E-02  1.698201E-02
   10.1750  9.985699E-02  1.752745E-02
   10.2250  1.002658E-01  1.808052E-02
   10.2750  9.612523E-02  1.861594E-02
   10.3250  1.004522E-01  1.918093E-02
   10.3750  9.856284E-02  1.974067E-02
   10.4250  1.051033E-01  2.034332E-02
   10.4750  1.011374E-01  2.092881E-02
   10.5250  1.092340E-01  2.156722E-02
   10.5750  1.010114E-01  2.216320E-02
   10.6250  1.004632E-01  2.276156E-02
   10.6750  1.084062E-01  2.341332E-02
   10.7250  1.167470E-01  2.412182E-02
   10.7750  1.139536E-01  2.481982E-02
   10.8250  1.120550E-01  2.551259E-02
   10.8750  1.075120E-01  2.618342E-02
   10.9250  1.166759E-01  2.691814E-02
   10.9750  1.167406E-01  2.766001E-02
   11.0250  1.120411E-01  2.837852E-02
   11.0750  1.150103E-01  2.912278E-02
   11.1250  1.226678E-01  2.992377E-02
   11.1750  1.242501E-01  3.074241E-02
   11.2250  1.292420E-01  3.160157E-02
   11.2750  1.277428E-01  3.245834E-02
   11.3250  1.278151E-01  3.332323E-02
   11.3750  1.243193E-01  3.417190E-02
   11.4250  1.284260E-01  3.505633E-02
   11.4750  1.268975E-01  3.593790E-02
   11.5250  1.303572E-01  3.685141E-02
   11.5750  1.392835E-01  3.783596E-02
   11.6250  1.364830E-01  3.880908E-02
   11.6750  1.334601E-01  3.976884E-02
   11.7250  1.375173E-01  4.076626E-02
   11.7750  1.340055E-01  4.174653E-02
   11.8250  1.393375E-01  4.277447E-02
   11.8750  1.400250E-01  4.381624E-02
   11.9250  1.408233E-01  4.487279E-02
   11.9750  1.441241E-01  4.596318E-02
   12.0250  1.527399E-01  4.712844E-02
   12.0750  1.497422E-01  4.828034E-02
   12.1250  1.553328E-01  4.948517E-02
   12.1750  1.611316E-01  5.074531E-02
   12.2250  1.590907E-01  5.199972E-02
   12.2750  1.640348E-01  5.330372E-02
   12.3250  1.614572E-01  5.459770E-02
   12.3750  1.653481E-01  5.593364E-02
   12.4250  1.654835E-01  5.728151E-02
   12.4750  1.683986E-01  5.866417E-02
   12.5250  1.674600E-01  6.005018E-02
   12.5750  1.698456E-01  6.146717E-02
   12.6250  1.621529E-01  6.283077E-02
   12.6750  1.643637E-01  6.422392E-02
   12.7250  1.673161E-01  6.565331E-02
   12.7750  1.688329E-01  6.710702E-02
   12.8250  1.654313E-01  6.854261E-02
   12.8750  1.674744E-01  7.000729E-02
   12.9250  1.692105E-01  7.149866E-02
   12.9750  1.802551E-01  7.309969E-02
   13.0250  1.760506E-01  7.467545E-02
   13.0750  1.783013E-01  7.628364E-02
   13.1250  1.819291E-01  7.793712E-02
   13.1750  1.814879E-01  7.959918E-02
   13.2250  1.817716E-01  8.127650E-02
   13.2750  1.796357E-01  8.294666E-02
   13.3250  1.847540E-01  8.467738E-02
   13.3750  1.963580E-01  8.653063E-02
   13.4250  1.997618E-01  8.843013E-02
   13.4750  1.968885E-01  9.031628E-02
   13.5250  2.089223E-01  9.233259E-02
   13.5750  2.153795E-01  9.442661E-02
   13.6250  2.096638E-01  9.648011E-02
   13.6750  2.089066E-01  9.854124E-02
   13.7250  2.047968E-01  1.005766E-01
   13.7750  2.137427E-01  1.027164E-01
   13.8250  2.153673E-01  1.048882E-01
   13.8750  2.151792E-01  1.070737E-01
   13.9250  2.186700E-01  1.093108E-01
   13.9750  2.170618E-01  1.115474E-01

g(r)  :ch2     OW      

        r      g(r)         n(r)

    2.8250  0.000000E+00  0.000000E+00
    2.8750  0.000000E+00  0.000000E+00
    2.9250  1.814141E-05  9.535634E-07
    2.9750  5.261026E-05  3.814253E-06
    3.0250  3.392366E-04  2.288552E-05
    3.0750  6.565889E-04  6.102806E-05
    3.1250  2.201273E-03  1.930966E-04
    3.1750  4.757682E-03  4.877477E-04
    3.2250  7.081112E-03  9.402135E-04
    3.2750  1.141772E-02  1.692575E-03
    3.3250  1.621526E-02  2.793941E-03
    3.3750  2.101856E-02  4.264812E-03
    3.4250  2.659504E-02  6.181475E-03
    3.4750  3.167065E-02  8.531055E-03
    3.5250  3.593749E-02  1.127446E-02
    3.5750  4.088395E-02  1.448463E-02
    3.6250  4.431730E-02  1.806240E-02
    3.6750  4.655010E-02  2.192481E-02
    3.7250  4.898344E-02  2.610046E-02
    3.7750  5.096741E-02  3.056266E-02
    3.8250  5.235419E-02  3.526849E-02
    3.8750  5.368907E-02  4.022130E-02
    3.9250  5.582094E-02  4.550452E-02
    3.9750  5.584985E-02  5.092601E-02
    4.0250  5.633436E-02  5.653296E-02
    4.0750  5.728782E-02  6.237735E-02
    4.1250  5.681508E-02  6.831662E-02
    4.1750  5.860573E-02  7.459249E-02
    4.2250  5.910498E-02  8.107434E-02
    4.2750  5.903417E-02  8.770256E-02
    4.3250  6.006685E-02  9.460541E-02
    4.3750  6.006003E-02  1.016680E-01
    4.4250  6.223392E-02  1.091544E-01
    4.4750  6.222676E-02  1.168101E-01
    4.5250  6.257236E-02  1.246813E-01
    4.5750  6.240977E-02  1.327065E-01
    4.6250  6.377784E-02  1.410878E-01
    4.6750  6.451594E-02  1.497505E-01
    4.7250  6.592476E-02  1.587926E-01
    4.7750  6.745815E-02  1.682420E-01
    4.8250  6.789408E-02  1.779526E-01
    4.8750  6.885970E-02  1.880065E-01
    4.9250  6.994509E-02  1.984294E-01
    4.9750  7.045264E-02  2.091422E-01
    5.0250  7.178989E-02  2.202789E-01
    5.0750  7.278381E-02  2.317955E-01
    5.1250  7.381707E-02  2.437070E-01
    5.1750  7.460573E-02  2.559817E-01
    5.2250  7.561804E-02  2.686646E-01
    5.2750  7.566952E-02  2.816001E-01
    5.3250  7.781043E-02  2.951550E-01
    5.3750  7.840570E-02  3.090713E-01
    5.4250  7.825657E-02  3.232208E-01
    5.4750  7.930885E-02  3.378260E-01
    5.5250  8.009175E-02  3.528461E-01
    5.5750  8.121596E-02  3.683539E-01
    5.6250  8.207924E-02  3.843089E-01
    5.6750  8.273817E-02  4.006792E-01
    5.7250  8.445085E-02  4.176841E-01
    5.7750  8.617352E-02  4.353403E-01
    5.8250  8.754810E-02  4.535901E-01
    5.8750  8.955388E-02  4.725798E-01
    5.9250  9.065961E-02  4.921326E-01
    5.9750  9.210506E-02  5.123339E-01
    6.0250  9.379809E-02  5.332522E-01
    6.0750  9.493528E-02  5.547770E-01
    6.1250  9.590507E-02  5.768810E-01
    6.1750  9.748853E-02  5.997184E-01
    6.2250  9.818582E-02  6.230931E-01
    6.2750  9.954237E-02  6.471730E-01
    6.3250  1.004327E-01  6.718569E-01
    6.3750  1.018309E-01  6.972818E-01
    6.4250  1.023258E-01  7.232325E-01
    6.4750  1.035004E-01  7.498913E-01
    6.5250  1.048386E-01  7.773134E-01
    6.5750  1.055157E-01  8.053372E-01
    6.6250  1.075945E-01  8.343494E-01
    6.6750  1.073368E-01  8.637305E-01
    6.7250  1.097947E-01  8.942365E-01
    6.7750  1.095141E-01  9.251186E-01
    6.8250  1.123505E-01  9.572699E-01
    6.8750  1.131244E-01  9.901187E-01
    6.9250  1.153014E-01  1.024088E+00
    6.9750  1.163517E-01  1.058864E+00
    7.0250  1.181642E-01  1.094690E+00
    7.0750  1.197356E-01  1.131511E+00
    7.1250  1.220908E-01  1.169589E+00
    7.1750  1.234523E-01  1.208633E+00
    7.2250  1.248330E-01  1.248667E+00
    7.2750  1.268196E-01  1.289902E+00
    7.3250  1.277122E-01  1.332001E+00
    7.3750  1.293309E-01  1.375217E+00
    7.4250  1.305004E-01  1.419417E+00
    7.4750  1.328064E-01  1.465006E+00
    7.5250  1.324015E-01  1.511066E+00
    7.5750  1.345397E-01  1.558493E+00
    7.6250  1.350943E-01  1.606748E+00
    7.6750  1.360486E-01  1.655982E+00
    7.7250  1.374572E-01  1.706376E+00
    7.7750  1.387787E-01  1.757916E+00
    7.8250  1.404748E-01  1.810759E+00
    7.8750  1.425447E-01  1.865067E+00
    7.9250  1.431601E-01  1.920305E+00
    7.9750  1.453046E-01  1.977081E+00
    8.0250  1.463833E-01  2.034997E+00
    8.0750  1.465721E-01  2.093712E+00
    8.1250  1.483240E-01  2.153868E+00
    8.1750  1.494857E-01  2.215243E+00
    8.2250  1.521535E-01  2.278480E+00
    8.2750  1.532886E-01  2.342966E+00
    8.3250  1.557371E-01  2.409276E+00
    8.3750  1.571427E-01  2.476990E+00
    8.4250  1.580602E-01  2.545916E+00
    8.4750  1.595167E-01  2.616304E+00
    8.5250  1.615113E-01  2.688416E+00
    8.5750  1.628207E-01  2.761969E+00
    8.6250  1.639398E-01  2.836893E+00
    8.6750  1.650595E-01  2.913205E+00
    8.7250  1.660643E-01  2.990870E+00
    8.7750  1.668099E-01  3.069780E+00
    8.8250  1.675388E-01  3.149941E+00
    8.8750  1.684526E-01  3.231455E+00
    8.9250  1.704102E-01  3.314848E+00
    8.9750  1.713599E-01  3.399648E+00
    9.0250  1.720505E-01  3.485741E+00
    9.0750  1.734363E-01  3.573492E+00
    9.1250  1.757547E-01  3.663398E+00
    9.1750  1.769309E-01  3.754900E+00
    9.2250  1.782583E-01  3.848097E+00
    9.2750  1.794981E-01  3.942962E+00
    9.3250  1.812305E-01  4.039777E+00
    9.3750  1.827003E-01  4.138428E+00
    9.4250  1.841061E-01  4.238901E+00
    9.4750  1.857487E-01  4.341348E+00
    9.5250  1.880174E-01  4.446144E+00
    9.5750  1.886695E-01  4.552411E+00
    9.6250  1.902789E-01  4.660706E+00
    9.6750  1.913136E-01  4.770724E+00
    9.7250  1.931352E-01  4.882941E+00
    9.7750  1.951183E-01  4.997479E+00
    9.8250  1.962520E-01  5.113864E+00
    9.8750  1.970225E-01  5.231898E+00
    9.9250  1.982410E-01  5.351867E+00
    9.9750  1.993777E-01  5.473744E+00
   10.0250  2.006773E-01  5.597647E+00
   10.0750  2.019948E-01  5.723612E+00
   10.1250  2.031184E-01  5.851537E+00
   10.1750  2.043174E-01  5.981491E+00
   10.2250  2.049934E-01  6.113160E+00
   10.2750  2.062508E-01  6.246936E+00
   10.3250  2.084854E-01  6.383480E+00
   10.3750  2.096877E-01  6.522145E+00
   10.4250  2.114230E-01  6.663308E+00
   10.4750  2.123744E-01  6.806470E+00
   10.5250  2.136933E-01  6.951899E+00
   10.5750  2.154040E-01  7.099889E+00
   10.6250  2.163904E-01  7.249965E+00
   10.6750  2.188622E-01  7.403188E+00
   10.7250  2.207908E-01  7.559212E+00
   10.7750  2.207632E-01  7.716675E+00
   10.8250  2.233433E-01  7.877460E+00
   10.8750  2.249822E-01  8.040925E+00
   10.9250  2.252983E-01  8.206128E+00
   10.9750  2.277610E-01  8.374669E+00
   11.0250  2.288022E-01  8.545526E+00
   11.0750  2.303120E-01  8.719075E+00
   11.1250  2.316501E-01  8.895211E+00
   11.1750  2.327220E-01  9.073757E+00
   11.2250  2.347486E-01  9.255473E+00
   11.2750  2.361754E-01  9.439926E+00
   11.3250  2.368429E-01  9.626544E+00
   11.3750  2.391192E-01  9.816623E+00
   11.4250  2.404246E-01  1.000942E+01
   11.4750  2.416068E-01  1.020487E+01
   11.5250  2.441600E-01  1.040411E+01
   11.5750  2.446009E-01  1.060544E+01
   11.6250  2.460464E-01  1.080972E+01
   11.6750  2.468386E-01  1.101642E+01
   11.7250  2.481876E-01  1.122604E+01
   11.7750  2.508376E-01  1.143970E+01
   11.8250  2.526670E-01  1.165676E+01
   11.8750  2.536284E-01  1.187648E+01
   11.9250  2.544918E-01  1.209882E+01
   11.9750  2.565707E-01  1.232485E+01
   12.0250  2.584673E-01  1.255446E+01
   12.0750  2.601140E-01  1.278746E+01
   12.1250  2.624069E-01  1.302447E+01
   12.1750  2.639497E-01  1.326483E+01
   12.2250  2.650462E-01  1.350819E+01
   12.2750  2.664283E-01  1.375481E+01
   12.3250  2.674876E-01  1.400444E+01
   12.3750  2.690279E-01  1.425755E+01
   12.4250  2.701275E-01  1.451375E+01
   12.4750  2.722193E-01  1.477401E+01
   12.5250  2.734310E-01  1.503754E+01
   12.5750  2.740206E-01  1.530374E+01
   12.6250  2.754054E-01  1.557342E+01
   12.6750  2.763942E-01  1.584622E+01
   12.7250  2.784584E-01  1.612323E+01
   12.7750  2.800302E-01  1.640400E+01
   12.8250  2.809863E-01  1.668793E+01
   12.8750  2.827216E-01  1.697585E+01
   12.9250  2.844751E-01  1.726781E+01
   12.9750  2.857180E-01  1.756332E+01
   13.0250  2.869924E-01  1.786243E+01
   13.0750  2.892287E-01  1.816620E+01
   13.1250  2.905491E-01  1.847369E+01
   13.1750  2.926365E-01  1.878576E+01
   13.2250  2.937865E-01  1.910143E+01
   13.2750  2.957824E-01  1.942166E+01
   13.3250  2.980399E-01  1.974677E+01
   13.3750  2.992656E-01  2.007567E+01
   13.4250  3.003127E-01  2.040819E+01
   13.4750  3.020532E-01  2.074513E+01
   13.5250  3.036865E-01  2.108642E+01
   13.5750  3.058342E-01  2.143266E+01
   13.6250  3.070380E-01  2.178283E+01
   13.6750  3.080928E-01  2.213679E+01
   13.7250  3.097058E-01  2.249521E+01
   13.7750  3.111082E-01  2.285788E+01
   13.8250  3.126182E-01  2.322496E+01
   13.8750  3.139622E-01  2.359629E+01
   13.9250  3.148138E-01  2.397131E+01
   13.9750  3.160827E-01  2.435056E+01

g(r)  :ch2     HW      

        r      g(r)         n(r)

    1.9750  0.000000E+00  0.000000E+00
    2.0250  0.000000E+00  0.000000E+00
    2.0750  4.505948E-05  2.383908E-06
    2.1250  5.155689E-05  5.244599E-06
    2.1750  9.022532E-05  1.048920E-05
    2.2250  2.821614E-04  2.765334E-05
    2.2750  5.772764E-04  6.436553E-05
    2.3250  7.824151E-04  1.163347E-04
    2.3750  1.272629E-03  2.045393E-04
    2.4250  1.577003E-03  3.184902E-04
    2.4750  2.185382E-03  4.829798E-04
    2.5250  3.201269E-03  7.337670E-04
    2.5750  3.874033E-03  1.049396E-03
    2.6250  4.989251E-03  1.471825E-03
    2.6750  6.062545E-03  2.004867E-03
    2.7250  7.028303E-03  2.646138E-03
    2.7750  8.213405E-03  3.423293E-03
    2.8250  9.656158E-03  4.370181E-03
    2.8750  1.081606E-02  5.468686E-03
    2.9250  1.193251E-02  6.723099E-03
    2.9750  1.353399E-02  8.194924E-03
    3.0250  1.460838E-02  9.837437E-03
    3.0750  1.722315E-02  1.183849E-02
    3.1250  1.840089E-02  1.404647E-02
    3.1750  2.097075E-02  1.664397E-02
    3.2250  2.228424E-02  1.949179E-02
    3.2750  2.477095E-02  2.275631E-02
    3.3250  2.595143E-02  2.628164E-02
    3.3750  2.909896E-02  3.035431E-02
    3.4250  3.024358E-02  3.471352E-02
    3.4750  3.209481E-02  3.947562E-02
    3.5250  3.504748E-02  4.482654E-02
    3.5750  3.677916E-02  5.060227E-02
    3.6250  3.825793E-02  5.677945E-02
    3.6750  3.911737E-02  6.327084E-02
    3.7250  4.203973E-02  7.043830E-02
    3.7750  4.323707E-02  7.800911E-02
    3.8250  4.449841E-02  8.600856E-02
    3.8750  4.619751E-02  9.453198E-02
    3.9250  4.708081E-02  1.034440E-01
    3.9750  4.873048E-02  1.129048E-01
    4.0250  5.062667E-02  1.229825E-01
    4.0750  5.192498E-02  1.335771E-01
    4.1250  5.253240E-02  1.445602E-01
    4.1750  5.483463E-02  1.563043E-01
    4.2250  5.659427E-02  1.687173E-01
    4.2750  5.739292E-02  1.816052E-01
    4.3250  5.952336E-02  1.952860E-01
    4.3750  5.931197E-02  2.092352E-01
    4.4250  6.160175E-02  2.240559E-01
    4.4750  6.282357E-02  2.395141E-01
    4.5250  6.296086E-02  2.553543E-01
    4.5750  6.493478E-02  2.720540E-01
    4.6250  6.558281E-02  2.892911E-01
    4.6750  6.638548E-02  3.071184E-01
    4.7250  6.734128E-02  3.255914E-01
    4.7750  6.756026E-02  3.445186E-01
    4.8250  6.973586E-02  3.644667E-01
    4.8750  6.976588E-02  3.848391E-01
    4.9250  7.122330E-02  4.060659E-01
    4.9750  7.249075E-02  4.281113E-01
    5.0250  7.275957E-02  4.506855E-01
    5.0750  7.418043E-02  4.741608E-01
    5.1250  7.478177E-02  4.982950E-01
    5.1750  7.590977E-02  5.232736E-01
    5.2250  7.679207E-02  5.490332E-01
    5.2750  7.740012E-02  5.754960E-01
    5.3250  7.819360E-02  6.027393E-01
    5.3750  7.931230E-02  6.308937E-01
    5.4250  8.053225E-02  6.600156E-01
    5.4750  8.136063E-02  6.899818E-01
    5.5250  8.236588E-02  7.208748E-01
    5.5750  8.400381E-02  7.529551E-01
    5.6250  8.525311E-02  7.860990E-01
    5.6750  8.567683E-02  8.200025E-01
    5.7250  8.740235E-02  8.552009E-01
    5.7750  8.772680E-02  8.911498E-01
    5.8250  8.889642E-02  9.282115E-01
    5.8750  8.987654E-02  9.663278E-01
    5.9250  9.101221E-02  1.005585E+00
    5.9750  9.221919E-02  1.046038E+00
    6.0250  9.319521E-02  1.087606E+00
    6.0750  9.399531E-02  1.130229E+00
    6.1250  9.541066E-02  1.174209E+00
    6.1750  9.712625E-02  1.219714E+00
    6.2250  9.813075E-02  1.266438E+00
    6.2750  9.891857E-02  1.314295E+00
    6.3250  1.007945E-01  1.363841E+00
    6.3750  1.014576E-01  1.414504E+00
    6.4250  1.031831E-01  1.466841E+00
    6.4750  1.052451E-01  1.521057E+00
    6.5250  1.054155E-01  1.576203E+00
    6.5750  1.072921E-01  1.633194E+00
    6.6250  1.086448E-01  1.691785E+00
    6.6750  1.094296E-01  1.751693E+00
    6.7250  1.110062E-01  1.813378E+00
    6.7750  1.124789E-01  1.876814E+00
    6.8250  1.134734E-01  1.941760E+00
    6.8750  1.154666E-01  2.008818E+00
    6.9250  1.163930E-01  2.077400E+00
    6.9750  1.182811E-01  2.148106E+00
    7.0250  1.191345E-01  2.220346E+00
    7.0750  1.205992E-01  2.294519E+00
    7.1250  1.214892E-01  2.370299E+00
    7.1750  1.227408E-01  2.447938E+00
    7.2250  1.246531E-01  2.527889E+00
    7.2750  1.261085E-01  2.609898E+00
    7.3250  1.270483E-01  2.693657E+00
    7.3750  1.286453E-01  2.779631E+00
    7.4250  1.300528E-01  2.867727E+00
    7.4750  1.309036E-01  2.957599E+00
    7.5250  1.327380E-01  3.049953E+00
    7.5750  1.340312E-01  3.144450E+00
    7.6250  1.354420E-01  3.241207E+00
    7.6750  1.366961E-01  3.340144E+00
    7.7250  1.376588E-01  3.441081E+00
    7.7750  1.392531E-01  3.544512E+00
    7.8250  1.409057E-01  3.650522E+00
    7.8750  1.427756E-01  3.759315E+00
    7.9250  1.441233E-01  3.870535E+00
    7.9750  1.452076E-01  3.984009E+00
    8.0250  1.473522E-01  4.100608E+00
    8.0750  1.479283E-01  4.219126E+00
    8.1250  1.491140E-01  4.340078E+00
    8.1750  1.504936E-01  4.463656E+00
    8.2250  1.518965E-01  4.589916E+00
    8.2750  1.530381E-01  4.718677E+00
    8.3250  1.548575E-01  4.850548E+00
    8.3750  1.561082E-01  4.985085E+00
    8.4250  1.573856E-01  5.122347E+00
    8.4750  1.591812E-01  5.262829E+00
    8.5250  1.599293E-01  5.405641E+00
    8.5750  1.615896E-01  5.551633E+00
    8.6250  1.622425E-01  5.699929E+00
    8.6750  1.641881E-01  5.851749E+00
    8.7250  1.660083E-01  6.007026E+00
    8.7750  1.668058E-01  6.164842E+00
    8.8250  1.687894E-01  6.326361E+00
    8.8750  1.697508E-01  6.490645E+00
    8.9250  1.708612E-01  6.657872E+00
    8.9750  1.718214E-01  6.827929E+00
    9.0250  1.738784E-01  7.001944E+00
    9.0750  1.746020E-01  7.178625E+00
    9.1250  1.763423E-01  7.359039E+00
    9.1750  1.775854E-01  7.542721E+00
    9.2250  1.789596E-01  7.729847E+00
    9.2750  1.800480E-01  7.920158E+00
    9.3250  1.819654E-01  8.114575E+00
    9.3750  1.833135E-01  8.312538E+00
    9.4250  1.839200E-01  8.513280E+00
    9.4750  1.858045E-01  8.718237E+00
    9.5250  1.873002E-01  8.927030E+00
    9.5750  1.882412E-01  9.139080E+00
    9.6250  1.894467E-01  9.354723E+00
    9.6750  1.908469E-01  9.574223E+00
    9.7250  1.920725E-01  9.797422E+00
    9.7750  1.936819E-01  1.002481E+01
    9.8250  1.950074E-01  1.025610E+01
    9.8750  1.958780E-01  1.049080E+01
    9.9250  1.973314E-01  1.072964E+01
    9.9750  1.987362E-01  1.097261E+01
   10.0250  2.005437E-01  1.122025E+01
   10.0750  2.011943E-01  1.147118E+01
   10.1250  2.029170E-01  1.172678E+01
   10.1750  2.046753E-01  1.198714E+01
   10.2250  2.056559E-01  1.225133E+01
   10.2750  2.076948E-01  1.252075E+01
   10.3250  2.083114E-01  1.279362E+01
   10.3750  2.105338E-01  1.307206E+01
   10.4250  2.125569E-01  1.335590E+01
   10.4750  2.139191E-01  1.364431E+01
   10.5250  2.156854E-01  1.393788E+01
   10.5750  2.166753E-01  1.423561E+01
   10.6250  2.179781E-01  1.453796E+01
   10.6750  2.193982E-01  1.484516E+01
   10.7250  2.207139E-01  1.515710E+01
   10.7750  2.216629E-01  1.547331E+01
   10.8250  2.229675E-01  1.579434E+01
   10.8750  2.246955E-01  1.612085E+01
   10.9250  2.258549E-01  1.645207E+01
   10.9750  2.268889E-01  1.678786E+01
   11.0250  2.285244E-01  1.712916E+01
   11.0750  2.301902E-01  1.747608E+01
   11.1250  2.312898E-01  1.782780E+01
   11.1750  2.324634E-01  1.818450E+01
   11.2250  2.339344E-01  1.854667E+01
   11.2750  2.352615E-01  1.891414E+01
   11.3250  2.368490E-01  1.928739E+01
   11.3750  2.383191E-01  1.966628E+01
   11.4250  2.395556E-01  2.005048E+01
   11.4750  2.413887E-01  2.044103E+01
   11.5250  2.429771E-01  2.083757E+01
   11.5750  2.437616E-01  2.123886E+01
   11.6250  2.460799E-01  2.164747E+01
   11.6750  2.474105E-01  2.206183E+01
   11.7250  2.492887E-01  2.248292E+01
   11.7750  2.506633E-01  2.290995E+01
   11.8250  2.523373E-01  2.334349E+01
   11.8750  2.534895E-01  2.378271E+01
   11.9250  2.553407E-01  2.422886E+01
   11.9750  2.565850E-01  2.468095E+01
   12.0250  2.583223E-01  2.513992E+01
   12.0750  2.597025E-01  2.560518E+01
   12.1250  2.609554E-01  2.607656E+01
   12.1750  2.625916E-01  2.655483E+01
   12.2250  2.641715E-01  2.703993E+01
   12.2750  2.656990E-01  2.753183E+01
   12.3250  2.672143E-01  2.803058E+01
   12.3750  2.680820E-01  2.853501E+01
   12.4250  2.697259E-01  2.904665E+01
   12.4750  2.713855E-01  2.956558E+01
   12.5250  2.728173E-01  3.009145E+01
   12.5750  2.739033E-01  3.062363E+01
   12.6250  2.762648E-01  3.116468E+01
   12.6750  2.772642E-01  3.171199E+01
   12.7250  2.791198E-01  3.226732E+01
   12.7750  2.806346E-01  3.283007E+01
   12.8250  2.821197E-01  3.340022E+01
   12.8750  2.834707E-01  3.397759E+01
   12.9250  2.848152E-01  3.456220E+01
   12.9750  2.869963E-01  3.515586E+01
   13.0250  2.880990E-01  3.575641E+01
   13.0750  2.900849E-01  3.636574E+01
   13.1250  2.909730E-01  3.698162E+01
   13.1750  2.924145E-01  3.760528E+01
   13.2250  2.941379E-01  3.823739E+01
   13.2750  2.953394E-01  3.887688E+01
   13.3250  2.961825E-01  3.952304E+01
   13.3750  2.979782E-01  4.017801E+01
   13.4250  2.994909E-01  4.084123E+01
   13.4750  3.008323E-01  4.151239E+01
   13.5250  3.020972E-01  4.219139E+01
   13.5750  3.035217E-01  4.287864E+01
   13.6250  3.050596E-01  4.357448E+01
   13.6750  3.072092E-01  4.428036E+01
   13.7250  3.083668E-01  4.499410E+01
   13.7750  3.097470E-01  4.571627E+01
   13.8250  3.111883E-01  4.644707E+01
   13.8750  3.131872E-01  4.718790E+01
   13.9250  3.146523E-01  4.793756E+01
   13.9750  3.163525E-01  4.869670E+01

g(r)  :CT      CT      

        r      g(r)         n(r)

    3.1750  0.000000E+00  0.000000E+00
    3.2250  0.000000E+00  0.000000E+00
    3.2750  9.715552E-03  6.841817E-05
    3.3250  3.141853E-02  2.964787E-04
    3.3750  5.793959E-02  7.297938E-04
    3.4250  9.475418E-02  1.459588E-03
    3.4750  1.524530E-01  2.668309E-03
    3.5250  2.012724E-01  4.310345E-03
    3.5750  3.505967E-01  7.252326E-03
    3.6250  6.714104E-01  1.304506E-02
    3.6750  1.630591E+00  2.750411E-02
    3.7250  4.989138E+00  7.295658E-02
    3.7750  7.977798E+00  1.476008E-01
    3.8250  4.064545E+00  1.866448E-01
    3.8750  2.176795E+00  2.081053E-01
    3.9250  2.390000E+00  2.322797E-01
    3.9750  2.846866E+00  2.618135E-01
    4.0250  3.589181E+00  2.999909E-01
    4.0750  4.258870E+00  3.464240E-01
    4.1250  5.276970E+00  4.053777E-01
    4.1750  6.526351E+00  4.800675E-01
    4.2250  7.372986E+00  5.664797E-01
    4.2750  8.750551E+00  6.714787E-01
    4.3250  9.927255E+00  7.933999E-01
    4.3750  1.075057E+01  9.285030E-01
    4.4250  1.174900E+01  1.079548E+00
    4.4750  1.300739E+01  1.250570E+00
    4.5250  1.385983E+01  1.436896E+00
    4.5750  1.503554E+01  1.643519E+00
    4.6250  1.579045E+01  1.865285E+00
    4.6750  1.710103E+01  2.110678E+00
    4.7250  1.841512E+01  2.380610E+00
    4.7750  1.915579E+01  2.667374E+00
    4.8250  1.940390E+01  2.963966E+00
    4.8750  1.845983E+01  3.252007E+00
    4.9250  1.686107E+01  3.520525E+00
    4.9750  1.537727E+01  3.770411E+00
    5.0250  1.464495E+01  4.013205E+00
    5.0750  1.345151E+01  4.240672E+00
    5.1250  1.299857E+01  4.464833E+00
    5.1750  1.220514E+01  4.679438E+00
    5.2250  1.176910E+01  4.890394E+00
    5.2750  1.143469E+01  5.099298E+00
    5.3250  1.123077E+01  5.308384E+00
    5.3750  1.110936E+01  5.519111E+00
    5.4250  1.056562E+01  5.723271E+00
    5.4750  1.062729E+01  5.932426E+00
    5.5250  1.019685E+01  6.136791E+00
    5.5750  1.011200E+01  6.343140E+00
    5.6250  9.862775E+00  6.548030E+00
    5.6750  9.946444E+00  6.758347E+00
    5.7250  9.795723E+00  6.969143E+00
    5.7750  9.791397E+00  7.183543E+00
    5.8250  9.866649E+00  7.403348E+00
    5.8750  1.005769E+01  7.631272E+00
    5.9250  1.035964E+01  7.870051E+00
    5.9750  1.054114E+01  8.117132E+00
    6.0250  1.105874E+01  8.380702E+00
    6.0750  1.111370E+01  8.649995E+00
    6.1250  1.132557E+01  8.928959E+00
    6.1750  1.111922E+01  9.207330E+00
    6.2250  1.080776E+01  9.482302E+00
    6.2750  1.008662E+01  9.743067E+00
    6.3250  9.317388E+00  9.987799E+00
    6.3750  8.949584E+00  1.022660E+01
    6.4250  8.571020E+00  1.045890E+01
    6.4750  8.881583E+00  1.070338E+01
    6.5250  8.714986E+00  1.094700E+01
    6.5750  8.623118E+00  1.119175E+01
    6.6250  8.697634E+00  1.144239E+01
    6.6750  8.569381E+00  1.169308E+01
    6.7250  8.559173E+00  1.194723E+01
    6.7750  8.440873E+00  1.220161E+01
    6.8250  8.381036E+00  1.245792E+01
    6.8750  8.254429E+00  1.271408E+01
    6.9250  7.966894E+00  1.296492E+01
    6.9750  7.904490E+00  1.321741E+01
    7.0250  7.791668E+00  1.346987E+01
    7.0750  7.670825E+00  1.372197E+01
    7.1250  7.499908E+00  1.397195E+01
    7.1750  7.364032E+00  1.422085E+01
    7.2250  7.152000E+00  1.446597E+01
    7.2750  6.916204E+00  1.470630E+01
    7.3250  6.838939E+00  1.494723E+01
    7.3750  6.530664E+00  1.518044E+01
    7.4250  6.513573E+00  1.541621E+01
    7.4750  6.315449E+00  1.564790E+01
    7.5250  6.253885E+00  1.588041E+01
    7.5750  6.247873E+00  1.611579E+01
    7.6250  6.087340E+00  1.634816E+01
    7.6750  5.976442E+00  1.657930E+01
    7.7250  6.078025E+00  1.681744E+01
    7.7750  6.060437E+00  1.705797E+01
    7.8250  6.024080E+00  1.730015E+01
    7.8750  6.037445E+00  1.754598E+01
    7.9250  5.857527E+00  1.778752E+01
    7.9750  5.891901E+00  1.803355E+01
    8.0250  5.694116E+00  1.827431E+01
    8.0750  5.547642E+00  1.851181E+01
    8.1250  5.466419E+00  1.874875E+01
    8.1750  5.318674E+00  1.898212E+01
    8.2250  5.311200E+00  1.921803E+01
    8.2750  5.327359E+00  1.945754E+01
    8.3250  5.124227E+00  1.969070E+01
    8.3750  5.224174E+00  1.993129E+01
    8.4250  5.086009E+00  2.016831E+01
    8.4750  5.002477E+00  2.040421E+01
    8.5250  4.891872E+00  2.063763E+01
    8.5750  4.744290E+00  2.086668E+01
    8.6250  4.762753E+00  2.109930E+01
    8.6750  4.620772E+00  2.132761E+01
    8.7250  4.593060E+00  2.155717E+01
    8.7750  4.618007E+00  2.179064E+01
    8.8250  4.499371E+00  2.202071E+01
    8.8750  4.381343E+00  2.224729E+01
    8.9250  4.333698E+00  2.247393E+01
    8.9750  4.192401E+00  2.269565E+01
    9.0250  4.228811E+00  2.292180E+01
    9.0750  4.147333E+00  2.314605E+01
    9.1250  4.098671E+00  2.337012E+01
    9.1750  4.042979E+00  2.359357E+01
    9.2250  4.064579E+00  2.382068E+01
    9.2750  3.921544E+00  2.404217E+01
    9.3250  3.770948E+00  2.425746E+01
    9.3750  3.700005E+00  2.447097E+01
    9.4250  3.615101E+00  2.468181E+01
    9.4750  3.500438E+00  2.488814E+01
    9.5250  3.438899E+00  2.509298E+01
    9.5750  3.282594E+00  2.529057E+01
    9.6250  3.336316E+00  2.549350E+01
    9.6750  3.282254E+00  2.569522E+01
    9.7250  3.236470E+00  2.589619E+01
    9.7750  3.224530E+00  2.609848E+01
    9.8250  3.110110E+00  2.629559E+01
    9.8750  3.110754E+00  2.649475E+01
    9.9250  3.178931E+00  2.670035E+01
    9.9750  3.148189E+00  2.690602E+01
   10.0250  3.080228E+00  2.710926E+01
   10.0750  2.951518E+00  2.730597E+01
   10.1250  2.903803E+00  2.750141E+01
   10.1750  2.883387E+00  2.769741E+01
   10.2250  2.883165E+00  2.789532E+01
   10.2750  2.855502E+00  2.809325E+01
   10.3250  2.849418E+00  2.829269E+01
   10.3750  2.795236E+00  2.849024E+01
   10.4250  2.673562E+00  2.868101E+01
   10.4750  2.533818E+00  2.886355E+01
   10.5250  2.413536E+00  2.903909E+01
   10.5750  2.428040E+00  2.921736E+01
   10.6250  2.303395E+00  2.938809E+01
   10.6750  2.242242E+00  2.955585E+01
   10.7250  2.170953E+00  2.971980E+01
   10.7750  2.151151E+00  2.988378E+01
   10.8250  2.082414E+00  3.004399E+01
   10.8750  2.060960E+00  3.020402E+01
   10.9250  2.020602E+00  3.036237E+01
   10.9750  1.931580E+00  3.051512E+01
   11.0250  1.956108E+00  3.067123E+01
   11.0750  1.904219E+00  3.082458E+01
   11.1250  1.901454E+00  3.097909E+01
   11.1750  1.838025E+00  3.112979E+01
   11.2250  1.860283E+00  3.128368E+01
   11.2750  1.914316E+00  3.144346E+01
   11.3250  1.886075E+00  3.160229E+01
   11.3750  1.862014E+00  3.176047E+01
   11.4250  1.798650E+00  3.191461E+01
   11.4750  1.755838E+00  3.206641E+01
   11.5250  1.789016E+00  3.222243E+01
   11.5750  1.762187E+00  3.237744E+01
   11.6250  1.696425E+00  3.252796E+01
   11.6750  1.668164E+00  3.267725E+01
   11.7250  1.628953E+00  3.282428E+01
   11.7750  1.552266E+00  3.296559E+01
   11.8250  1.522772E+00  3.310539E+01
   11.8750  1.462681E+00  3.324081E+01
   11.9250  1.444334E+00  3.337566E+01
   11.9750  1.423336E+00  3.350967E+01
   12.0250  1.416809E+00  3.364418E+01
   12.0750  1.356262E+00  3.377401E+01
   12.1250  1.299971E+00  3.389949E+01
   12.1750  1.264008E+00  3.402251E+01
   12.2250  1.270424E+00  3.414717E+01
   12.2750  1.182636E+00  3.426416E+01
   12.3250  1.159797E+00  3.437983E+01
   12.3750  1.150671E+00  3.449553E+01
   12.4250  1.143454E+00  3.461143E+01
   12.4750  1.108861E+00  3.472473E+01
   12.5250  1.082755E+00  3.483625E+01
   12.5750  1.076578E+00  3.494802E+01
   12.6250  1.036032E+00  3.505644E+01
   12.6750  1.014901E+00  3.516350E+01
   12.7250  9.936414E-01  3.526913E+01
   12.7750  1.011632E+00  3.537753E+01
   12.8250  9.334354E-01  3.547833E+01
   12.8750  8.979106E-01  3.557606E+01
   12.9250  8.726792E-01  3.567178E+01
   12.9750  8.343978E-01  3.576400E+01
   13.0250  7.716981E-01  3.584996E+01
   13.0750  7.377677E-01  3.593277E+01
   13.1250  7.079604E-01  3.601284E+01
   13.1750  6.481663E-01  3.608671E+01
   13.2250  6.408913E-01  3.616030E+01
   13.2750  6.106454E-01  3.623096E+01
   13.3250  5.779002E-01  3.629833E+01
   13.3750  5.440732E-01  3.636223E+01
   13.4250  5.494718E-01  3.642725E+01
   13.4750  5.383235E-01  3.649142E+01
   13.5250  5.176403E-01  3.655359E+01
   13.5750  5.023360E-01  3.661437E+01
   13.6250  4.685308E-01  3.667148E+01
   13.6750  4.296331E-01  3.672423E+01
   13.7250  4.178419E-01  3.677591E+01
   13.7750  4.062103E-01  3.682651E+01
   13.8250  3.805601E-01  3.687427E+01
   13.8750  3.408339E-01  3.691735E+01
   13.9250  3.403612E-01  3.696068E+01
   13.9750  3.142749E-01  3.700098E+01

g(r)  :CT      C       

        r      g(r)         n(r)

    2.6250  0.000000E+00  0.000000E+00
    2.6750  0.000000E+00  0.000000E+00
    2.7250  1.637194E-02  2.280606E-05
    2.7750  5.525552E-02  1.026273E-04
    2.8250  2.970515E-01  5.473454E-04
    2.8750  8.824903E-01  1.915709E-03
    2.9250  1.896987E+00  4.960317E-03
    2.9750  2.822754E+00  9.646962E-03
    3.0250  3.427713E+00  1.553093E-02
    3.0750  4.165724E+00  2.292009E-02
    3.1250  4.693290E+00  3.151797E-02
    3.1750  5.420990E+00  4.176929E-02
    3.2250  7.001708E+00  5.543012E-02
    3.2750  8.744807E+00  7.302500E-02
    3.3250  1.025972E+01  9.430305E-02
    3.3750  1.151092E+01  1.188994E-01
    3.4250  1.052438E+01  1.420589E-01
    3.4750  1.075729E+01  1.664272E-01
    3.5250  1.049342E+01  1.908867E-01
    3.5750  1.085355E+01  2.169084E-01
    3.6250  1.254996E+01  2.478448E-01
    3.6750  1.429918E+01  2.840722E-01
    3.7250  1.381275E+01  3.200260E-01
    3.7750  1.041647E+01  3.478722E-01
    3.8250  7.698776E+00  3.690020E-01
    3.8750  8.124811E+00  3.918879E-01
    3.9250  9.639480E+00  4.197455E-01
    3.9750  1.133361E+01  4.533388E-01
    4.0250  1.316248E+01  4.933406E-01
    4.0750  1.519889E+01  5.406860E-01
    4.1250  1.648670E+01  5.933110E-01
    4.1750  1.727988E+01  6.498130E-01
    4.2250  1.809923E+01  7.104201E-01
    4.2750  1.792447E+01  7.718710E-01
    4.3250  1.760992E+01  8.336640E-01
    4.3750  1.836253E+01  8.995963E-01
    4.4250  1.952386E+01  9.713100E-01
    4.4750  1.991566E+01  1.046125E+00
    4.5250  2.008657E+01  1.123278E+00
    4.5750  1.875252E+01  1.196907E+00
    4.6250  1.771554E+01  1.267994E+00
    4.6750  1.697706E+01  1.337598E+00
    4.7250  1.670407E+01  1.407556E+00
    4.7750  1.607881E+01  1.476327E+00
    4.8250  1.602407E+01  1.546308E+00
    4.8750  1.503460E+01  1.613335E+00
    4.9250  1.439256E+01  1.678822E+00
    4.9750  1.277357E+01  1.738129E+00
    5.0250  1.178880E+01  1.793970E+00
    5.0750  1.116587E+01  1.847918E+00
    5.1250  1.113421E+01  1.902778E+00
    5.1750  1.161239E+01  1.961116E+00
    5.2250  1.182762E+01  2.021689E+00
    5.2750  1.219649E+01  2.085352E+00
    5.3250  1.282816E+01  2.153587E+00
    5.3750  1.416233E+01  2.230341E+00
    5.4250  1.494346E+01  2.312842E+00
    5.4750  1.579928E+01  2.401683E+00
    5.5250  1.603436E+01  2.493500E+00
    5.5750  1.597687E+01  2.586652E+00
    5.6250  1.539247E+01  2.678013E+00
    5.6750  1.472795E+01  2.766991E+00
    5.7250  1.388946E+01  2.852388E+00
    5.7750  1.329640E+01  2.935573E+00
    5.8250  1.305120E+01  3.018644E+00
    5.8750  1.258520E+01  3.100130E+00
    5.9250  1.219534E+01  3.180442E+00
    5.9750  1.227814E+01  3.262669E+00
    6.0250  1.199649E+01  3.344360E+00
    6.0750  1.143253E+01  3.423508E+00
    6.1250  1.103762E+01  3.501186E+00
    6.1750  1.073684E+01  3.577985E+00
    6.2250  1.025446E+01  3.652527E+00
    6.2750  9.617753E+00  3.723568E+00
    6.3250  9.524035E+00  3.795042E+00
    6.3750  9.372234E+00  3.866493E+00
    6.4250  8.922115E+00  3.935584E+00
    6.4750  8.889246E+00  4.005496E+00
    6.5250  9.000536E+00  4.077381E+00
    6.5750  8.426864E+00  4.145719E+00
    6.6250  8.541132E+00  4.216042E+00
    6.6750  8.607386E+00  4.287983E+00
    6.7250  8.977185E+00  4.364144E+00
    6.7750  9.272928E+00  4.443988E+00
    6.8250  9.531667E+00  4.527276E+00
    6.8750  9.589013E+00  4.612297E+00
    6.9250  9.463720E+00  4.697432E+00
    6.9750  8.953686E+00  4.779146E+00
    7.0250  8.766330E+00  4.860301E+00
    7.0750  8.515351E+00  4.940260E+00
    7.1250  8.295674E+00  5.019260E+00
    7.1750  8.106069E+00  5.097542E+00
    7.2250  7.813766E+00  5.174056E+00
    7.2750  7.768751E+00  5.251186E+00
    7.3250  7.678917E+00  5.328476E+00
    7.3750  7.494681E+00  5.404944E+00
    7.4250  7.145996E+00  5.478847E+00
    7.4750  6.984356E+00  5.552055E+00
    7.5250  6.772691E+00  5.623997E+00
    7.5750  6.485475E+00  5.693806E+00
    7.6250  6.475977E+00  5.764436E+00
    7.6750  6.303127E+00  5.834086E+00
    7.7250  6.242170E+00  5.903964E+00
    7.7750  6.142032E+00  5.973613E+00
    7.8250  6.014152E+00  6.042693E+00
    7.8750  5.958609E+00  6.112012E+00
    7.9250  6.025935E+00  6.183007E+00
    7.9750  5.922895E+00  6.253672E+00
    8.0250  5.885188E+00  6.324770E+00
    8.0750  5.866602E+00  6.396529E+00
    8.1250  5.615063E+00  6.466065E+00
    8.1750  5.693029E+00  6.537436E+00
    8.2250  5.556632E+00  6.607952E+00
    8.2750  5.399138E+00  6.677306E+00
    8.3250  5.121345E+00  6.743888E+00
    8.3750  5.213774E+00  6.812489E+00
    8.4250  5.003061E+00  6.879105E+00
    8.4750  4.843490E+00  6.944365E+00
    8.5250  4.732474E+00  7.008883E+00
    8.5750  4.566669E+00  7.071873E+00
    8.6250  4.607847E+00  7.136175E+00
    8.6750  4.465223E+00  7.199211E+00
    8.7250  4.481268E+00  7.263205E+00
    8.7750  4.469817E+00  7.327769E+00
    8.8250  4.305355E+00  7.390668E+00
    8.8750  4.354994E+00  7.455015E+00
    8.9250  4.336097E+00  7.519807E+00
    8.9750  4.261506E+00  7.584200E+00
    9.0250  4.234568E+00  7.648901E+00
    9.0750  4.186559E+00  7.713579E+00
    9.1250  4.063420E+00  7.777048E+00
    9.1750  4.042360E+00  7.840882E+00
    9.2250  3.930801E+00  7.903633E+00
    9.2750  3.952130E+00  7.967410E+00
    9.3250  3.960894E+00  8.032020E+00
    9.3750  3.767291E+00  8.094132E+00
    9.4250  3.672681E+00  8.155332E+00
    9.4750  3.533810E+00  8.214844E+00
    9.5250  3.516907E+00  8.274699E+00
    9.5750  3.362916E+00  8.332535E+00
    9.6250  3.289354E+00  8.389699E+00
    9.6750  3.125563E+00  8.444581E+00
    9.7250  3.239408E+00  8.502053E+00
    9.7750  3.091205E+00  8.557460E+00
    9.8250  3.044079E+00  8.612582E+00
    9.8750  2.912346E+00  8.665857E+00
    9.9250  2.761509E+00  8.716886E+00
    9.9750  2.829198E+00  8.769693E+00
   10.0250  2.658908E+00  8.819821E+00
   10.0750  2.697858E+00  8.871191E+00
   10.1250  2.518888E+00  8.919631E+00
   10.1750  2.564064E+00  8.969428E+00
   10.2250  2.549514E+00  9.019431E+00
   10.2750  2.430911E+00  9.067574E+00
   10.3250  2.393169E+00  9.115433E+00
   10.3750  2.283190E+00  9.161535E+00
   10.4250  2.188070E+00  9.206144E+00
   10.4750  2.160583E+00  9.250616E+00
   10.5250  2.020478E+00  9.292602E+00
   10.5750  2.061209E+00  9.335842E+00
   10.6250  1.988547E+00  9.377953E+00
   10.6750  1.975831E+00  9.420190E+00
   10.7250  1.956394E+00  9.462404E+00
   10.7750  1.788013E+00  9.501346E+00
   10.8250  1.732109E+00  9.539420E+00
   10.8750  1.713648E+00  9.577438E+00
   10.9250  1.655727E+00  9.614509E+00
   10.9750  1.606862E+00  9.650816E+00
   11.0250  1.574317E+00  9.686713E+00
   11.0750  1.551709E+00  9.722416E+00
   11.1250  1.517655E+00  9.757651E+00
   11.1750  1.511406E+00  9.793058E+00
   11.2250  1.378327E+00  9.825636E+00
   11.2750  1.344612E+00  9.857702E+00
   11.3250  1.307171E+00  9.889151E+00
   11.3750  1.215369E+00  9.918651E+00
   11.4250  1.212206E+00  9.948333E+00
   11.4750  1.118107E+00  9.975951E+00
   11.5250  1.069984E+00  1.000261E+01
   11.5750  1.025825E+00  1.002839E+01
   11.6250  9.792355E-01  1.005322E+01
   11.6750  9.307292E-01  1.007702E+01
   11.7250  9.542022E-01  1.010162E+01
   11.7750  9.259484E-01  1.012571E+01
   11.8250  8.490136E-01  1.014798E+01
   11.8750  8.737782E-01  1.017109E+01
   11.9250  7.942251E-01  1.019228E+01
   11.9750  7.795525E-01  1.021325E+01
   12.0250  7.764463E-01  1.023431E+01
   12.0750  6.741406E-01  1.025275E+01
   12.1250  6.917468E-01  1.027183E+01
   12.1750  6.577807E-01  1.029012E+01
   12.2250  6.190584E-01  1.030747E+01
   12.2750  6.543688E-01  1.032597E+01
   12.3250  5.902458E-01  1.034279E+01
   12.3750  5.672266E-01  1.035908E+01
   12.4250  5.008516E-01  1.037359E+01
   12.4750  4.960636E-01  1.038807E+01
   12.5250  4.568494E-01  1.040151E+01
   12.5750  4.366939E-01  1.041447E+01
   12.6250  4.240888E-01  1.042715E+01
   12.6750  3.863177E-01  1.043879E+01
   12.7250  3.491260E-01  1.044939E+01
   12.7750  3.572001E-01  1.046033E+01
   12.8250  3.455506E-01  1.047099E+01
   12.8750  3.406717E-01  1.048158E+01
   12.9250  3.136613E-01  1.049141E+01
   12.9750  2.863342E-01  1.050046E+01
   13.0250  2.715992E-01  1.050910E+01
   13.0750  2.638368E-01  1.051756E+01
   13.1250  2.487742E-01  1.052560E+01
   13.1750  2.349828E-01  1.053325E+01
   13.2250  1.991490E-01  1.053979E+01
   13.2750  1.997213E-01  1.054639E+01
   13.3250  1.667283E-01  1.055194E+01
   13.3750  1.566492E-01  1.055720E+01
   13.4250  1.568336E-01  1.056250E+01
   13.4750  1.372591E-01  1.056718E+01
   13.5250  1.239507E-01  1.057143E+01
   13.5750  1.042371E-01  1.057503E+01
   13.6250  1.047832E-01  1.057868E+01
   13.6750  1.127949E-01  1.058264E+01
   13.7250  8.744992E-02  1.058573E+01
   13.7750  9.001978E-02  1.058893E+01
   13.8250  7.124143E-02  1.059149E+01
   13.8750  6.567683E-02  1.059386E+01
   13.9250  6.583302E-02  1.059625E+01
   13.9750  6.380653E-02  1.059859E+01

g(r)  :CT      H       

        r      g(r)         n(r)

    1.9750  0.000000E+00  0.000000E+00
    2.0250  0.000000E+00  0.000000E+00
    2.0750  2.823502E-02  1.140303E-05
    2.1250  2.422981E-01  1.140303E-04
    2.1750  4.368744E-01  3.078818E-04
    2.2250  8.103655E-01  6.841817E-04
    2.2750  1.949589E+00  1.630633E-03
    2.3250  3.305978E+00  3.306878E-03
    2.3750  7.220161E+00  7.126893E-03
    2.4250  9.323586E+00  1.226966E-02
    2.4750  1.278103E+01  1.961321E-02
    2.5250  1.746642E+01  3.005838E-02
    2.5750  2.060836E+01  4.287539E-02
    2.6250  2.205381E+01  5.712917E-02
    2.6750  2.456707E+01  7.361795E-02
    2.7250  2.355922E+01  9.002691E-02
    2.7750  2.541754E+01  1.083858E-01
    2.8250  2.612530E+01  1.279420E-01
    2.8750  2.507743E+01  1.473841E-01
    2.9250  2.552051E+01  1.678640E-01
    2.9750  2.436771E+01  1.880930E-01
    3.0250  2.363527E+01  2.083789E-01
    3.0750  2.208862E+01  2.279693E-01
    3.1250  2.164889E+01  2.477992E-01
    3.1750  2.127392E+01  2.679142E-01
    3.2250  1.957907E+01  2.870142E-01
    3.2750  1.896314E+01  3.060915E-01
    3.3250  1.812221E+01  3.248837E-01
    3.3750  1.826164E+01  3.443943E-01
    3.4250  1.871691E+01  3.649881E-01
    3.4750  1.935003E+01  3.869048E-01
    3.5250  1.943117E+01  4.095512E-01
    3.5750  1.880584E+01  4.320950E-01
    3.6250  1.928983E+01  4.558703E-01
    3.6750  1.902957E+01  4.799763E-01
    3.7250  1.965240E+01  5.055533E-01
    3.7750  1.995424E+01  5.322250E-01
    3.8250  1.999272E+01  5.596606E-01
    3.8750  2.034644E+01  5.883165E-01
    3.9250  2.204099E+01  6.201651E-01
    3.9750  2.247485E+01  6.534734E-01
    4.0250  2.116952E+01  6.856413E-01
    4.0750  1.968681E+01  7.163041E-01
    4.1250  1.759058E+01  7.443783E-01
    4.1750  1.636968E+01  7.711412E-01
    4.2250  1.533071E+01  7.968094E-01
    4.2750  1.432893E+01  8.213716E-01
    4.3250  1.399955E+01  8.459337E-01
    4.3750  1.380842E+01  8.707239E-01
    4.4250  1.347951E+01  8.954798E-01
    4.4750  1.266395E+01  9.192666E-01
    4.5250  1.209469E+01  9.424945E-01
    4.5750  1.205830E+01  9.661672E-01
    4.6250  1.180468E+01  9.898513E-01
    4.6750  1.194291E+01  1.014334E+00
    4.7250  1.186574E+01  1.039181E+00
    4.7750  1.178384E+01  1.064381E+00
    4.8250  1.227198E+01  1.091179E+00
    4.8750  1.226709E+01  1.118523E+00
    4.9250  1.184886E+01  1.145480E+00
    4.9750  1.193117E+01  1.173178E+00
    5.0250  1.206083E+01  1.201742E+00
    5.0750  1.190932E+01  1.230512E+00
    5.1250  1.152996E+01  1.258917E+00
    5.1750  1.190747E+01  1.288827E+00
    5.2250  1.147582E+01  1.318213E+00
    5.2750  1.141222E+01  1.347998E+00
    5.3250  1.186777E+01  1.379561E+00
    5.3750  1.189628E+01  1.411798E+00
    5.4250  1.201674E+01  1.444969E+00
    5.4750  1.187126E+01  1.478346E+00
    5.5250  1.207157E+01  1.512908E+00
    5.5750  1.183645E+01  1.547414E+00
    5.6250  1.169228E+01  1.582113E+00
    5.6750  1.135881E+01  1.616425E+00
    5.7250  1.105741E+01  1.650417E+00
    5.7750  1.064076E+01  1.683703E+00
    5.8250  1.083151E+01  1.718174E+00
    5.8750  1.095437E+01  1.753638E+00
    5.9250  1.099883E+01  1.789854E+00
    5.9750  1.142168E+01  1.828099E+00
    6.0250  1.122620E+01  1.866322E+00
    6.0750  1.143418E+01  1.905902E+00
    6.1250  1.120937E+01  1.945345E+00
    6.1750  1.128365E+01  1.985701E+00
    6.2250  1.140430E+01  2.027151E+00
    6.2750  1.168642E+01  2.070311E+00
    6.3250  1.131093E+01  2.112753E+00
    6.3750  1.145728E+01  2.156427E+00
    6.4250  1.158594E+01  2.201286E+00
    6.4750  1.163098E+01  2.247024E+00
    6.5250  1.173611E+01  2.293890E+00
    6.5750  1.176921E+01  2.341612E+00
    6.6250  1.142326E+01  2.388638E+00
    6.6750  1.124731E+01  2.435641E+00
    6.7250  1.053499E+01  2.480330E+00
    6.7750  9.958928E+00  2.523205E+00
    6.8250  9.589086E+00  2.565100E+00
    6.8750  9.270065E+00  2.606196E+00
    6.9250  8.974436E+00  2.646563E+00
    6.9750  8.436406E+00  2.685060E+00
    7.0250  8.186178E+00  2.722952E+00
    7.0750  8.214180E+00  2.761517E+00
    7.1250  7.766418E+00  2.798497E+00
    7.1750  7.670361E+00  2.835534E+00
    7.2250  7.222202E+00  2.870895E+00
    7.2750  6.999227E+00  2.905640E+00
    7.3250  7.463662E+00  2.943202E+00
    7.3750  6.839763E+00  2.978095E+00
    7.4250  7.003760E+00  3.014311E+00
    7.4750  6.993059E+00  3.050960E+00
    7.5250  6.520419E+00  3.085591E+00
    7.5750  6.282076E+00  3.119401E+00
    7.6250  6.386062E+00  3.154226E+00
    7.6750  6.499197E+00  3.190134E+00
    7.7250  6.225872E+00  3.224982E+00
    7.7750  6.395436E+00  3.261243E+00
    7.8250  6.099530E+00  3.296273E+00
    7.8750  6.449687E+00  3.333789E+00
    7.9250  6.122722E+00  3.369857E+00
    7.9750  5.876062E+00  3.404910E+00
    8.0250  6.067359E+00  3.441559E+00
    8.0750  5.809735E+00  3.477091E+00
    8.1250  5.552448E+00  3.511471E+00
    8.1750  5.244609E+00  3.544346E+00
    8.2250  5.367937E+00  3.578407E+00
    8.2750  5.118617E+00  3.611282E+00
    8.3250  4.999429E+00  3.643781E+00
    8.3750  4.934713E+00  3.676245E+00
    8.4250  4.903719E+00  3.708892E+00
    8.4750  4.644605E+00  3.740182E+00
    8.5250  4.550134E+00  3.771198E+00
    8.5750  4.459198E+00  3.801952E+00
    8.6250  4.389670E+00  3.832581E+00
    8.6750  4.240670E+00  3.862514E+00
    8.7250  4.145892E+00  3.892116E+00
    8.7750  4.163514E+00  3.922186E+00
    8.8250  4.099298E+00  3.952130E+00
    8.8750  4.113435E+00  3.982519E+00
    8.9250  3.899587E+00  4.011654E+00
    8.9750  3.915122E+00  4.041233E+00
    9.0250  3.843501E+00  4.070596E+00
    9.0750  3.820456E+00  4.100107E+00
    9.1250  3.695478E+00  4.128968E+00
    9.1750  3.687083E+00  4.158080E+00
    9.2250  3.634366E+00  4.187089E+00
    9.2750  3.526038E+00  4.215540E+00
    9.3250  3.401643E+00  4.243284E+00
    9.3750  3.335024E+00  4.270776E+00
    9.4250  3.288784E+00  4.298178E+00
    9.4750  3.241978E+00  4.325477E+00
    9.5250  3.068668E+00  4.351590E+00
    9.5750  3.179918E+00  4.378934E+00
    9.6250  2.969802E+00  4.404739E+00
    9.6750  2.930094E+00  4.430464E+00
    9.7250  2.914182E+00  4.456315E+00
    9.7750  2.860271E+00  4.481949E+00
    9.8250  2.756926E+00  4.506910E+00
    9.8750  2.817595E+00  4.532681E+00
    9.9250  2.674498E+00  4.557391E+00
    9.9750  2.758942E+00  4.583139E+00
   10.0250  2.677054E+00  4.608374E+00
   10.0750  2.684085E+00  4.633929E+00
   10.1250  2.693218E+00  4.659825E+00
   10.1750  2.551734E+00  4.684604E+00
   10.2250  2.502419E+00  4.709143E+00
   10.2750  2.531095E+00  4.734207E+00
   10.3250  2.315050E+00  4.757355E+00
   10.3750  2.440749E+00  4.781997E+00
   10.4250  2.301053E+00  4.805453E+00
   10.4750  2.237035E+00  4.828476E+00
   10.5250  2.225708E+00  4.851601E+00
   10.5750  2.229715E+00  4.874989E+00
   10.6250  2.184010E+00  4.898114E+00
   10.6750  2.150796E+00  4.921102E+00
   10.7250  2.110707E+00  4.943874E+00
   10.7750  2.146663E+00  4.967251E+00
   10.8250  2.021053E+00  4.989464E+00
   10.8750  1.962420E+00  5.011232E+00
   10.9250  1.960796E+00  5.033183E+00
   10.9750  1.909663E+00  5.054757E+00
   11.0250  1.803363E+00  5.075317E+00
   11.0750  1.731610E+00  5.095238E+00
   11.1250  1.647319E+00  5.114361E+00
   11.1750  1.596590E+00  5.133062E+00
   11.2250  1.576609E+00  5.151694E+00
   11.2750  1.568395E+00  5.170395E+00
   11.3250  1.457889E+00  5.187933E+00
   11.3750  1.468591E+00  5.205756E+00
   11.4250  1.357969E+00  5.222382E+00
   11.4750  1.223362E+00  5.237491E+00
   11.5250  1.229246E+00  5.252805E+00
   11.5750  1.156945E+00  5.267344E+00
   11.6250  1.145215E+00  5.281860E+00
   11.6750  1.043558E+00  5.295202E+00
   11.7250  1.019643E+00  5.308349E+00
   11.7750  9.338400E-01  5.320494E+00
   11.8250  8.842261E-01  5.332090E+00
   11.8750  8.845549E-01  5.343790E+00
   11.9250  7.685774E-01  5.354041E+00
   11.9750  7.291084E-01  5.363848E+00
   12.0250  7.407138E-01  5.373894E+00
   12.0750  6.670531E-01  5.383016E+00
   12.1250  6.202153E-01  5.391569E+00
   12.1750  6.118509E-01  5.400075E+00
   12.2250  5.954675E-01  5.408422E+00
   12.2750  5.769096E-01  5.416575E+00
   12.3250  5.514296E-01  5.424432E+00
   12.3750  5.184030E-01  5.431878E+00
   12.4250  5.087266E-01  5.439245E+00
   12.4750  4.796584E-01  5.446246E+00
   12.5250  4.525871E-01  5.452905E+00
   12.5750  4.028655E-01  5.458881E+00
   12.6250  4.202750E-01  5.465164E+00
   12.6750  4.025877E-01  5.471230E+00
   12.7250  3.716502E-01  5.476875E+00
   12.7750  3.985444E-01  5.482975E+00
   12.8250  3.932255E-01  5.489042E+00
   12.8750  3.696416E-01  5.494789E+00
   12.9250  3.733370E-01  5.500639E+00
   12.9750  3.285802E-01  5.505827E+00
   13.0250  3.217627E-01  5.510947E+00
   13.0750  2.979720E-01  5.515725E+00
   13.1250  2.844142E-01  5.520320E+00
   13.1750  2.829599E-01  5.524927E+00
   13.2250  2.147889E-01  5.528451E+00
   13.2750  2.283514E-01  5.532225E+00
   13.3250  2.054148E-01  5.535646E+00
   13.3750  1.848528E-01  5.538747E+00
   13.4250  1.733602E-01  5.541678E+00
   13.4750  1.332418E-01  5.543947E+00
   13.5250  1.535261E-01  5.546581E+00
   13.5750  1.286470E-01  5.548805E+00
   13.6250  1.015088E-01  5.550572E+00
   13.6750  1.105195E-01  5.552511E+00
   13.7250  1.110065E-01  5.554472E+00
   13.7750  1.012322E-01  5.556274E+00
   13.8250  8.014660E-02  5.557711E+00
   13.8750  8.209604E-02  5.559193E+00
   13.9250  7.210283E-02  5.560504E+00
   13.9750  6.225027E-02  5.561645E+00

g(r)  :CT      HC      

        r      g(r)         n(r)

    2.4250  0.000000E+00  0.000000E+00
    2.4750  0.000000E+00  0.000000E+00
    2.5250  5.448041E-03  4.561211E-05
    2.5750  5.238527E-03  9.122423E-05
    2.6250  2.142370E-02  2.850757E-04
    2.6750  4.004709E-02  6.613757E-04
    2.7250  6.782661E-02  1.322751E-03
    2.7750  1.138940E-01  2.474457E-03
    2.8250  2.208844E-01  4.789272E-03
    2.8750  3.256809E-01  8.324211E-03
    2.9250  5.318464E-01  1.429940E-02
    2.9750  6.897448E-01  2.231573E-02
    3.0250  9.328465E-01  3.352490E-02
    3.0750  1.158064E+00  4.790412E-02
    3.1250  1.502778E+00  6.717524E-02
    3.1750  1.938221E+00  9.283206E-02
    3.2250  2.300227E+00  1.242474E-01
    3.2750  2.777838E+00  1.633712E-01
    3.3250  3.152849E+00  2.091429E-01
    3.3750  3.549562E+00  2.622354E-01
    3.4250  3.729465E+00  3.196839E-01
    3.4750  4.066613E+00  3.841680E-01
    3.5250  4.241397E+00  4.533730E-01
    3.5750  4.502722E+00  5.289409E-01
    3.6250  4.793712E+00  6.116585E-01
    3.6750  5.016512E+00  7.006249E-01
    3.7250  5.434731E+00  7.996488E-01
    3.7750  6.043675E+00  9.127440E-01
    3.8250  6.533068E+00  1.038257E+00
    3.8750  7.311115E+00  1.182414E+00
    3.9250  7.693095E+00  1.338043E+00
    3.9750  8.461458E+00  1.513604E+00
    4.0250  8.800891E+00  1.700830E+00
    4.0750  8.935574E+00  1.895674E+00
    4.1250  8.655966E+00  2.089080E+00
    4.1750  8.230177E+00  2.277458E+00
    4.2250  7.896431E+00  2.462552E+00
    4.2750  8.280143E+00  2.661262E+00
    4.3250  8.785231E+00  2.877053E+00
    4.3750  9.089621E+00  3.105512E+00
    4.4250  9.610922E+00  3.352627E+00
    4.4750  9.831860E+00  3.611168E+00
    4.5250  9.807480E+00  3.874863E+00
    4.5750  9.436210E+00  4.134214E+00
    4.6250  9.284847E+00  4.395012E+00
    4.6750  9.312590E+00  4.662277E+00
    4.7250  9.478279E+00  4.940146E+00
    4.7750  9.721098E+00  5.231196E+00
    4.8250  9.905615E+00  5.534015E+00
    4.8750  1.014962E+01  5.850757E+00
    4.9250  1.006058E+01  6.171194E+00
    4.9750  1.009164E+01  6.499179E+00
    5.0250  1.001355E+01  6.831201E+00
    5.0750  9.804403E+00  7.162790E+00
    5.1250  9.761818E+00  7.499475E+00
    5.1750  9.482007E+00  7.832923E+00
    5.2250  9.457900E+00  8.171980E+00
    5.2750  9.391804E+00  8.515143E+00
    5.3250  9.379799E+00  8.864395E+00
    5.3750  9.450173E+00  9.222906E+00
    5.4250  9.587482E+00  9.593425E+00
    5.4750  9.664916E+00  9.973853E+00
    5.5250  9.911238E+00  1.037113E+01
    5.5750  1.011452E+01  1.078394E+01
    5.6250  1.024619E+01  1.120964E+01
    5.6750  1.012845E+01  1.163798E+01
    5.7250  9.801287E+00  1.205981E+01
    5.7750  9.459410E+00  1.247407E+01
    5.8250  9.352996E+00  1.289079E+01
    5.8750  9.203280E+00  1.330792E+01
    5.9250  9.081259E+00  1.372654E+01
    5.9750  8.888800E+00  1.414324E+01
    6.0250  8.822020E+00  1.456377E+01
    6.0750  8.751520E+00  1.498788E+01
    6.1250  8.777967E+00  1.542030E+01
    6.1750  8.896470E+00  1.586575E+01
    6.2250  8.905619E+00  1.631891E+01
    6.2750  8.955030E+00  1.678193E+01
    6.3250  9.020874E+00  1.725582E+01
    6.3750  9.054712E+00  1.773903E+01
    6.4250  9.021617E+00  1.822806E+01
    6.4750  8.852378E+00  1.871541E+01
    6.5250  8.471861E+00  1.918905E+01
    6.5750  8.326226E+00  1.966171E+01
    6.6250  8.065493E+00  2.012655E+01
    6.6750  7.979027E+00  2.059338E+01
    6.7250  7.995615E+00  2.106821E+01
    6.7750  7.939332E+00  2.154674E+01
    6.8250  7.994385E+00  2.203573E+01
    6.8750  8.021833E+00  2.253360E+01
    6.9250  7.956029E+00  2.303461E+01
    6.9750  7.858260E+00  2.353663E+01
    7.0250  7.711252E+00  2.403634E+01
    7.0750  7.579398E+00  2.453453E+01
    7.1250  7.442090E+00  2.503063E+01
    7.1750  7.347670E+00  2.552733E+01
    7.2250  7.258302E+00  2.602486E+01
    7.2750  7.181025E+00  2.652392E+01
    7.3250  7.060667E+00  2.702139E+01
    7.3750  6.939390E+00  2.751701E+01
    7.4250  6.790169E+00  2.800858E+01
    7.4750  6.752476E+00  2.850401E+01
    7.5250  6.527627E+00  2.898938E+01
    7.5750  6.433415E+00  2.947413E+01
    7.6250  6.365450E+00  2.996010E+01
    7.6750  6.271579E+00  3.044521E+01
    7.7250  6.099562E+00  3.092318E+01
    7.7750  6.085002E+00  3.140620E+01
    7.8250  5.946786E+00  3.188434E+01
    7.8750  5.867591E+00  3.236216E+01
    7.9250  5.775396E+00  3.283846E+01
    7.9750  5.730103E+00  3.331702E+01
    8.0250  5.612132E+00  3.379161E+01
    8.0750  5.504892E+00  3.426295E+01
    8.1250  5.421826E+00  3.473295E+01
    8.1750  5.348170E+00  3.520229E+01
    8.2250  5.247660E+00  3.566846E+01
    8.2750  5.134596E+00  3.613014E+01
    8.3250  5.098290E+00  3.659412E+01
    8.3750  4.995750E+00  3.705424E+01
    8.4250  4.972475E+00  3.751771E+01
    8.4750  4.912163E+00  3.798100E+01
    8.5250  4.824720E+00  3.844143E+01
    8.5750  4.808655E+00  3.890573E+01
    8.6250  4.721779E+00  3.936697E+01
    8.6750  4.638889E+00  3.982539E+01
    8.7250  4.633442E+00  4.028855E+01
    8.7750  4.549551E+00  4.074856E+01
    8.8250  4.523009E+00  4.121112E+01
    8.8750  4.465574E+00  4.167298E+01
    8.9250  4.349615E+00  4.212794E+01
    8.9750  4.245658E+00  4.257702E+01
    9.0250  4.278814E+00  4.303465E+01
    9.0750  4.160092E+00  4.348454E+01
    9.1250  4.110038E+00  4.393392E+01
    9.1750  4.058556E+00  4.438255E+01
    9.2250  4.010700E+00  4.483073E+01
    9.2750  3.984837E+00  4.528087E+01
    9.3250  3.937425E+00  4.573046E+01
    9.3750  3.853942E+00  4.617524E+01
    9.4250  3.785298E+00  4.661678E+01
    9.4750  3.702312E+00  4.705323E+01
    9.5250  3.701066E+00  4.749415E+01
    9.5750  3.697465E+00  4.793928E+01
    9.6250  3.621092E+00  4.837978E+01
    9.6750  3.537654E+00  4.881461E+01
    9.7250  3.476579E+00  4.924636E+01
    9.7750  3.408477E+00  4.967402E+01
    9.8250  3.386378E+00  5.010327E+01
    9.8750  3.310318E+00  5.052715E+01
    9.9250  3.244872E+00  5.094687E+01
    9.9750  3.187899E+00  5.136339E+01
   10.0250  3.110643E+00  5.177390E+01
   10.0750  3.050158E+00  5.218045E+01
   10.1250  2.995458E+00  5.258369E+01
   10.1750  2.902595E+00  5.297829E+01
   10.2250  2.873696E+00  5.337281E+01
   10.2750  2.825726E+00  5.376455E+01
   10.3250  2.817405E+00  5.415895E+01
   10.3750  2.723515E+00  5.454390E+01
   10.4250  2.675560E+00  5.492573E+01
   10.4750  2.641452E+00  5.530632E+01
   10.5250  2.570712E+00  5.568026E+01
   10.5750  2.542189E+00  5.605357E+01
   10.6250  2.461934E+00  5.641853E+01
   10.6750  2.438240E+00  5.678338E+01
   10.7250  2.380906E+00  5.714299E+01
   10.7750  2.366864E+00  5.750383E+01
   10.8250  2.322225E+00  5.786116E+01
   10.8750  2.252899E+00  5.821102E+01
   10.9250  2.243966E+00  5.856272E+01
   10.9750  2.189032E+00  5.890895E+01
   11.0250  2.152290E+00  5.925247E+01
   11.0750  2.095943E+00  5.959005E+01
   11.1250  2.045291E+00  5.992245E+01
   11.1750  2.010966E+00  6.025221E+01
   11.2250  1.969452E+00  6.057807E+01
   11.2750  1.917185E+00  6.089810E+01
   11.3250  1.906793E+00  6.121923E+01
   11.3750  1.844027E+00  6.153254E+01
   11.4250  1.810758E+00  6.184291E+01
   11.4750  1.788879E+00  6.215222E+01
   11.5250  1.756196E+00  6.245853E+01
   11.5750  1.743390E+00  6.276525E+01
   11.6250  1.715060E+00  6.306959E+01
   11.6750  1.689252E+00  6.337194E+01
   11.7250  1.681382E+00  6.367547E+01
   11.7750  1.666193E+00  6.397882E+01
   11.8250  1.632011E+00  6.427848E+01
   11.8750  1.597544E+00  6.457430E+01
   11.9250  1.590099E+00  6.487123E+01
   11.9750  1.539000E+00  6.516102E+01
   12.0250  1.532594E+00  6.545203E+01
   12.0750  1.478416E+00  6.573508E+01
   12.1250  1.470147E+00  6.601889E+01
   12.1750  1.436069E+00  6.629842E+01
   12.2250  1.384660E+00  6.657015E+01
   12.2750  1.378013E+00  6.684280E+01
   12.3250  1.345246E+00  6.711113E+01
   12.3750  1.314153E+00  6.737540E+01
   12.4250  1.285260E+00  6.763595E+01
   12.4750  1.257959E+00  6.789302E+01
   12.5250  1.228727E+00  6.814613E+01
   12.5750  1.222765E+00  6.840003E+01
   12.6250  1.176432E+00  6.864626E+01
   12.6750  1.159818E+00  6.889093E+01
   12.7250  1.145734E+00  6.913454E+01
   12.7750  1.106772E+00  6.937173E+01
   12.8250  1.082637E+00  6.960556E+01
   12.8750  1.047947E+00  6.983366E+01
   12.9250  1.025403E+00  7.005860E+01
   12.9750  9.908474E-01  7.027764E+01
   13.0250  9.788015E-01  7.049569E+01
   13.0750  9.339435E-01  7.070535E+01
   13.1250  9.236655E-01  7.091428E+01
   13.1750  8.767955E-01  7.111413E+01
   13.2250  8.534956E-01  7.131015E+01
   13.2750  8.383070E-01  7.150414E+01
   13.3250  8.125621E-01  7.169359E+01
   13.3750  7.977604E-01  7.188099E+01
   13.4250  7.541505E-01  7.205947E+01
   13.4750  7.307732E-01  7.223371E+01
   13.5250  7.001247E-01  7.240188E+01
   13.5750  6.724517E-01  7.256460E+01
   13.6250  6.575616E-01  7.272489E+01
   13.6750  6.252713E-01  7.287843E+01
   13.7250  5.997949E-01  7.302680E+01
   13.7750  5.793851E-01  7.317116E+01
   13.8250  5.675688E-01  7.331361E+01
   13.8750  5.338047E-01  7.344855E+01
   13.9250  5.141693E-01  7.357947E+01
   13.9750  4.888869E-01  7.370484E+01

g(r)  :CT      N       

        r      g(r)         n(r)

    2.6250  0.000000E+00  0.000000E+00
    2.6750  0.000000E+00  0.000000E+00
    2.7250  1.637194E-02  1.140303E-05
    2.7750  3.157458E-02  3.420909E-05
    2.8250  1.371007E-01  1.368363E-04
    2.8750  2.353307E-01  3.192848E-04
    2.9250  4.831277E-01  7.069878E-04
    2.9750  1.085146E+00  1.607827E-03
    3.0250  2.138999E+00  3.443715E-03
    3.0750  2.944293E+00  6.055008E-03
    3.1250  3.821857E+00  9.555738E-03
    3.1750  5.270239E+00  1.453886E-02
    3.2250  5.528895E+00  1.993249E-02
    3.2750  4.828630E+00  2.479018E-02
    3.3250  5.234326E+00  3.021803E-02
    3.3750  4.898944E+00  3.545202E-02
    3.4250  4.197314E+00  4.007024E-02
    3.4750  3.785437E+00  4.435778E-02
    3.5250  3.688597E+00  4.865672E-02
    3.5750  3.262724E+00  5.256796E-02
    3.6250  3.608170E+00  5.701514E-02
    3.6750  3.969744E+00  6.204388E-02
    3.7250  4.407114E+00  6.777960E-02
    3.7750  4.393517E+00  7.365216E-02
    3.8250  4.952478E+00  8.044837E-02
    3.8750  6.161416E+00  8.912607E-02
    3.9250  6.786699E+00  9.893268E-02
    3.9750  8.894533E+00  1.121146E-01
    4.0250  1.088118E+01  1.286490E-01
    4.0750  1.205808E+01  1.474298E-01
    4.1250  1.416106E+01  1.700306E-01
    4.1750  1.505843E+01  1.946497E-01
    4.2250  1.484716E+01  2.195083E-01
    4.2750  1.463494E+01  2.445950E-01
    4.3250  1.427252E+01  2.696360E-01
    4.3750  1.454521E+01  2.957490E-01
    4.4250  1.552223E+01  3.242565E-01
    4.4750  1.579654E+01  3.539272E-01
    4.5250  1.617969E+01  3.850005E-01
    4.5750  1.672828E+01  4.178412E-01
    4.6250  1.781784E+01  4.535897E-01
    4.6750  1.796164E+01  4.904101E-01
    4.7250  1.734391E+01  5.267287E-01
    4.7750  1.632142E+01  5.616334E-01
    4.8250  1.624601E+01  5.971082E-01
    4.8750  1.553592E+01  6.317392E-01
    4.9250  1.382367E+01  6.631887E-01
    4.9750  1.159716E+01  6.901113E-01
    5.0250  1.104012E+01  7.162584E-01
    5.0750  1.143257E+01  7.438766E-01
    5.1250  1.159476E+01  7.724412E-01
    5.1750  1.161693E+01  8.016215E-01
    5.2250  1.167176E+01  8.315088E-01
    5.2750  1.184477E+01  8.624225E-01
    5.3250  1.163195E+01  8.933589E-01
    5.3750  1.189207E+01  9.255838E-01
    5.4250  1.235960E+01  9.597017E-01
    5.4750  1.206188E+01  9.936143E-01
    5.5250  1.307123E+01  1.031039E+00
    5.5750  1.369837E+01  1.070972E+00
    5.6250  1.414371E+01  1.112947E+00
    5.6750  1.396353E+01  1.155127E+00
    5.7250  1.386164E+01  1.197740E+00
    5.7750  1.433714E+01  1.242588E+00
    5.8250  1.354745E+01  1.285703E+00
    5.8750  1.373347E+01  1.330163E+00
    5.9250  1.396671E+01  1.376152E+00
    5.9750  1.380205E+01  1.422368E+00
    6.0250  1.353708E+01  1.468459E+00
    6.0750  1.261680E+01  1.512133E+00
    6.1250  1.239545E+01  1.555749E+00
    6.1750  1.182886E+01  1.598055E+00
    6.2250  1.153293E+01  1.639972E+00
    6.2750  1.130356E+01  1.681719E+00
    6.3250  1.108605E+01  1.723317E+00
    6.3750  1.031155E+01  1.762623E+00
    6.4250  1.049920E+01  1.803275E+00
    6.4750  1.000711E+01  1.842627E+00
    6.5250  9.480260E+00  1.880485E+00
    6.5750  9.089146E+00  1.917339E+00
    6.6250  9.013408E+00  1.954445E+00
    6.6750  9.034413E+00  1.992200E+00
    6.7250  9.029605E+00  2.030503E+00
    6.7750  9.434495E+00  2.071121E+00
    6.8250  9.090579E+00  2.110837E+00
    6.8750  9.362663E+00  2.152344E+00
    6.9250  9.134150E+00  2.193430E+00
    6.9750  9.013660E+00  2.234560E+00
    7.0250  9.137085E+00  2.276854E+00
    7.0750  8.826236E+00  2.318293E+00
    7.1250  8.254962E+00  2.357599E+00
    7.1750  8.404807E+00  2.398182E+00
    7.2250  7.874320E+00  2.436736E+00
    7.2750  7.901983E+00  2.475962E+00
    7.3250  7.735563E+00  2.514892E+00
    7.3750  7.653382E+00  2.553936E+00
    7.4250  7.616810E+00  2.593322E+00
    7.4750  7.445628E+00  2.632344E+00
    7.5250  7.310513E+00  2.671171E+00
    7.5750  7.347804E+00  2.710717E+00
    7.6250  7.155567E+00  2.749738E+00
    7.6750  6.825292E+00  2.787448E+00
    7.7250  6.297176E+00  2.822694E+00
    7.7750  6.160132E+00  2.857622E+00
    7.8250  5.908920E+00  2.891557E+00
    7.8750  5.610640E+00  2.924193E+00
    7.9250  5.929149E+00  2.959120E+00
    7.9750  5.587420E+00  2.992451E+00
    8.0250  5.467042E+00  3.025474E+00
    8.0750  5.297002E+00  3.057870E+00
    8.1250  5.090205E+00  3.089388E+00
    8.1750  4.989928E+00  3.120667E+00
    8.2250  4.835995E+00  3.151352E+00
    8.2750  4.639246E+00  3.181149E+00
    8.3250  4.531061E+00  3.210603E+00
    8.3750  4.404322E+00  3.239578E+00
    8.4250  4.196337E+00  3.267515E+00
    8.4750  4.160510E+00  3.295544E+00
    8.5250  4.167053E+00  3.323949E+00
    8.5750  4.004516E+00  3.351567E+00
    8.6250  4.002347E+00  3.379493E+00
    8.6750  3.987037E+00  3.407635E+00
    8.7250  3.893561E+00  3.435436E+00
    8.7750  3.792477E+00  3.462826E+00
    8.8250  3.897923E+00  3.491299E+00
    8.8750  3.642667E+00  3.518211E+00
    8.9250  3.850747E+00  3.546980E+00
    8.9750  3.829092E+00  3.575910E+00
    9.0250  3.694239E+00  3.604132E+00
    9.0750  3.848504E+00  3.633860E+00
    9.1250  3.799144E+00  3.663531E+00
    9.1750  3.815618E+00  3.693658E+00
    9.2250  3.651509E+00  3.722804E+00
    9.2750  3.918919E+00  3.754424E+00
    9.3250  3.864423E+00  3.785942E+00
    9.3750  3.779048E+00  3.817095E+00
    9.4250  3.767800E+00  3.848488E+00
    9.4750  3.664491E+00  3.879345E+00
    9.5250  3.489437E+00  3.909038E+00
    9.5750  3.476958E+00  3.938937E+00
    9.6250  3.429117E+00  3.968733E+00
    9.6750  3.293758E+00  3.997651E+00
    9.7250  3.202129E+00  4.026056E+00
    9.7750  3.156731E+00  4.054347E+00
    9.8250  2.987404E+00  4.081395E+00
    9.8750  3.040759E+00  4.109207E+00
    9.9250  3.086719E+00  4.137726E+00
    9.9750  2.879905E+00  4.164603E+00
   10.0250  2.977058E+00  4.192666E+00
   10.0750  2.887696E+00  4.220158E+00
   10.1250  2.888894E+00  4.247936E+00
   10.1750  2.754886E+00  4.274688E+00
   10.2250  2.671030E+00  4.300880E+00
   10.2750  2.612855E+00  4.326754E+00
   10.3250  2.508921E+00  4.351840E+00
   10.3750  2.514163E+00  4.377224E+00
   10.4250  2.410680E+00  4.401797E+00
   10.4750  2.434257E+00  4.426850E+00
   10.5250  2.399112E+00  4.451777E+00
   10.5750  2.302553E+00  4.475928E+00
   10.6250  2.271241E+00  4.499977E+00
   10.6750  2.323628E+00  4.524813E+00
   10.7250  2.229084E+00  4.548862E+00
   10.7750  2.112107E+00  4.571862E+00
   10.8250  2.164228E+00  4.595649E+00
   10.8750  2.096058E+00  4.618899E+00
   10.9250  2.032098E+00  4.641648E+00
   10.9750  1.987381E+00  4.664101E+00
   11.0250  1.798362E+00  4.684604E+00
   11.0750  1.654297E+00  4.703635E+00
   11.1250  1.526496E+00  4.721356E+00
   11.1750  1.581987E+00  4.739886E+00
   11.2250  1.426088E+00  4.756739E+00
   11.2750  1.320703E+00  4.772487E+00
   11.3250  1.221859E+00  4.787185E+00
   11.3750  1.168859E+00  4.801371E+00
   11.4250  1.190318E+00  4.815944E+00
   11.4750  1.024855E+00  4.828601E+00
   11.5250  1.095612E+00  4.842251E+00
   11.5750  9.636674E-01  4.854361E+00
   11.6250  9.643918E-01  4.866585E+00
   11.6750  9.597169E-01  4.878854E+00
   11.7250  9.488962E-01  4.891090E+00
   11.7750  9.355936E-01  4.903257E+00
   11.8250  8.555344E-01  4.914477E+00
   11.8750  8.354130E-01  4.925527E+00
   11.9250  8.301320E-01  4.936599E+00
   11.9750  8.622131E-01  4.948196E+00
   12.0250  7.617329E-01  4.958527E+00
   12.0750  7.087439E-01  4.968220E+00
   12.1250  7.045646E-01  4.977935E+00
   12.1750  6.643421E-01  4.987172E+00
   12.2250  6.182450E-01  4.995838E+00
   12.2750  5.809439E-01  5.004048E+00
   12.3250  5.274196E-01  5.011563E+00
   12.3750  5.279295E-01  5.019146E+00
   12.4250  4.646265E-01  5.025873E+00
   12.4750  4.124749E-01  5.031894E+00
   12.5250  4.556870E-01  5.038599E+00
   12.5750  4.451510E-01  5.045202E+00
   12.6250  3.806120E-01  5.050892E+00
   12.6750  3.533993E-01  5.056217E+00
   12.7250  3.844140E-01  5.062055E+00
   12.7750  3.158558E-01  5.066890E+00
   12.8250  3.015714E-01  5.071543E+00
   12.8750  2.596292E-01  5.075579E+00
   12.9250  2.619909E-01  5.079684E+00
   12.9750  2.108691E-01  5.083014E+00
   13.0250  2.063868E-01  5.086298E+00
   13.0750  2.147674E-01  5.089742E+00
   13.1250  2.060768E-01  5.093072E+00
   13.1750  1.912081E-01  5.096185E+00
   13.2250  1.862894E-01  5.099241E+00
   13.2750  1.752304E-01  5.102137E+00
   13.3250  1.588541E-01  5.104782E+00
   13.3750  1.515522E-01  5.107325E+00
   13.4250  1.409816E-01  5.109709E+00
   13.4750  1.359200E-01  5.112023E+00
   13.5250  1.296000E-01  5.114247E+00
   13.5750  1.055565E-01  5.116071E+00
   13.6250  1.146067E-01  5.118067E+00
   13.6750  1.020681E-01  5.119857E+00
   13.7250  9.164494E-02  5.121476E+00
   13.7750  1.031543E-01  5.123312E+00
   13.8250  8.523528E-02  5.124840E+00
   13.8750  8.651660E-02  5.126403E+00
   13.9250  8.715037E-02  5.127988E+00
   13.9750  8.652787E-02  5.129573E+00

g(r)  :CT      OS      

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  1.833484E-02  1.140303E-05
    2.6250  1.764305E-02  2.280606E-05
    2.6750  1.019381E-01  9.122423E-05
    2.7250  1.637194E-01  2.052545E-04
    2.7750  3.315331E-01  4.447181E-04
    2.8250  8.073706E-01  1.049079E-03
    2.8750  2.044436E+00  2.634100E-03
    2.9250  2.969814E+00  5.017333E-03
    2.9750  4.065864E+00  8.392629E-03
    3.0250  5.460426E+00  1.307927E-02
    3.0750  6.030015E+00  1.842729E-02
    3.1250  5.875949E+00  2.380952E-02
    3.1750  5.812941E+00  2.930578E-02
    3.2250  6.113345E+00  3.526957E-02
    3.2750  5.554057E+00  4.085705E-02
    3.3250  5.509238E+00  4.656997E-02
    3.3750  4.930964E+00  5.183817E-02
    3.4250  4.342407E+00  5.661604E-02
    3.4750  4.178076E+00  6.134829E-02
    3.5250  4.441970E+00  6.652527E-02
    3.5750  4.252004E+00  7.162242E-02
    3.6250  4.533342E+00  7.720991E-02
    3.6750  4.698881E+00  8.316229E-02
    3.7250  4.249404E+00  8.869276E-02
    3.7750  4.606794E+00  9.485039E-02
    3.8250  4.894311E+00  1.015668E-01
    3.8750  5.448927E+00  1.092410E-01
    3.9250  6.321100E+00  1.183748E-01
    3.9750  8.140499E+00  1.304392E-01
    4.0250  1.195429E+01  1.486043E-01
    4.0750  1.556496E+01  1.728471E-01
    4.1250  1.839080E+01  2.021985E-01
    4.1750  1.962688E+01  2.342866E-01
    4.2250  2.086775E+01  2.692255E-01
    4.2750  1.991682E+01  3.033662E-01
    4.3250  1.786015E+01  3.347017E-01
    4.3750  1.732722E+01  3.658092E-01
    4.4250  1.724210E+01  3.974754E-01
    4.4750  1.796386E+01  4.312169E-01
    4.5250  1.806188E+01  4.659049E-01
    4.5750  1.806422E+01  5.013684E-01
    4.6250  1.834073E+01  5.381659E-01
    4.6750  1.836771E+01  5.758187E-01
    4.7250  1.883053E+01  6.152504E-01
    4.7750  2.022448E+01  6.585021E-01
    4.8250  2.018349E+01  7.025748E-01
    4.8750  2.058497E+01  7.484606E-01
    4.9250  2.016411E+01  7.943350E-01
    4.9750  1.845917E+01  8.371876E-01
    5.0250  1.594630E+01  8.749544E-01
    5.0750  1.485479E+01  9.108397E-01
    5.1250  1.424698E+01  9.459382E-01
    5.1750  1.387313E+01  9.807859E-01
    5.2250  1.331944E+01  1.014892E+00
    5.2750  1.369729E+01  1.050641E+00
    5.3250  1.430306E+01  1.088681E+00
    5.3750  1.320079E+01  1.124453E+00
    5.4250  1.305359E+01  1.160486E+00
    5.4750  1.306771E+01  1.197227E+00
    5.5250  1.267694E+01  1.233523E+00
    5.5750  1.235278E+01  1.269533E+00
    5.6250  1.216874E+01  1.305647E+00
    5.6750  1.170611E+01  1.341008E+00
    5.7250  1.119466E+01  1.375422E+00
    5.7750  1.118027E+01  1.410395E+00
    5.8250  1.084942E+01  1.444923E+00
    5.8750  1.088392E+01  1.480159E+00
    5.9250  1.070100E+01  1.515394E+00
    5.9750  1.081893E+01  1.551622E+00
    6.0250  1.043581E+01  1.587153E+00
    6.0750  1.020215E+01  1.622469E+00
    6.1250  1.011728E+01  1.658069E+00
    6.1750  9.753231E+00  1.692951E+00
    6.2250  9.195601E+00  1.726373E+00
    6.2750  9.404711E+00  1.761107E+00
    6.3250  9.122895E+00  1.795338E+00
    6.3750  8.974370E+00  1.829548E+00
    6.4250  8.932423E+00  1.864133E+00
    6.4750  9.337261E+00  1.900851E+00
    6.5250  9.054791E+00  1.937010E+00
    6.5750  9.049775E+00  1.973705E+00
    6.6250  9.046648E+00  2.010947E+00
    6.6750  8.922540E+00  2.048235E+00
    6.7250  8.776916E+00  2.085466E+00
    6.7750  8.878279E+00  2.123689E+00
    6.8250  8.751281E+00  2.161923E+00
    6.8750  8.544716E+00  2.199804E+00
    6.9250  8.135301E+00  2.236396E+00
    6.9750  7.879144E+00  2.272350E+00
    7.0250  7.683626E+00  2.307916E+00
    7.0750  7.657987E+00  2.343870E+00
    7.1250  7.560463E+00  2.379869E+00
    7.1750  7.228748E+00  2.414774E+00
    7.2250  7.415509E+00  2.451081E+00
    7.2750  6.999227E+00  2.485826E+00
    7.3250  7.239345E+00  2.522259E+00
    7.3750  6.904584E+00  2.557483E+00
    7.4250  6.840574E+00  2.592855E+00
    7.4750  6.768950E+00  2.628330E+00
    7.5250  6.690032E+00  2.663862E+00
    7.5750  6.697350E+00  2.699906E+00
    7.6250  6.760359E+00  2.736772E+00
    7.6750  6.600327E+00  2.773239E+00
    7.7250  6.456083E+00  2.809376E+00
    7.7750  6.258678E+00  2.844862E+00
    7.8250  6.041950E+00  2.879561E+00
    7.8750  5.945867E+00  2.914147E+00
    7.9250  6.020128E+00  2.949610E+00
    7.9750  6.187643E+00  2.986522E+00
    8.0250  5.988072E+00  3.022692E+00
    8.0750  5.645660E+00  3.057220E+00
    8.1250  5.731084E+00  3.092707E+00
    8.1750  5.621173E+00  3.127942E+00
    8.2250  5.412864E+00  3.162288E+00
    8.2750  5.574907E+00  3.198093E+00
    8.3250  5.385350E+00  3.233101E+00
    8.3750  5.368038E+00  3.268416E+00
    8.4250  5.229149E+00  3.303229E+00
    8.4750  4.891730E+00  3.336184E+00
    8.5250  4.931543E+00  3.369800E+00
    8.5750  4.880813E+00  3.403462E+00
    8.6250  4.737772E+00  3.436519E+00
    8.6750  4.680084E+00  3.469554E+00
    8.7250  4.371073E+00  3.500764E+00
    8.7750  4.498237E+00  3.533251E+00
    8.8250  4.416189E+00  3.565510E+00
    8.8750  4.155110E+00  3.596207E+00
    8.9250  4.217049E+00  3.627714E+00
    8.9750  4.147554E+00  3.659049E+00
    9.0250  4.080828E+00  3.690225E+00
    9.0750  4.024175E+00  3.721310E+00
    9.1250  4.180227E+00  3.753957E+00
    9.1750  4.120348E+00  3.786490E+00
    9.2250  3.917229E+00  3.817757E+00
    9.2750  3.812926E+00  3.848522E+00
    9.3250  3.590390E+00  3.877805E+00
    9.3750  3.589543E+00  3.907396E+00
    9.4250  3.409222E+00  3.935801E+00
    9.4750  3.462714E+00  3.964958E+00
    9.5250  3.537678E+00  3.995062E+00
    9.5750  3.537957E+00  4.025486E+00
    9.6250  3.581347E+00  4.056605E+00
    9.6750  3.311941E+00  4.085682E+00
    9.7250  3.168707E+00  4.113791E+00
    9.7750  3.336134E+00  4.143690E+00
    9.8250  3.290930E+00  4.173486E+00
    9.8750  3.124289E+00  4.202062E+00
    9.9250  3.102763E+00  4.230729E+00
    9.9750  3.033859E+00  4.259043E+00
   10.0250  3.039962E+00  4.287698E+00
   10.0750  2.934407E+00  4.315636E+00
   10.1250  2.780976E+00  4.342376E+00
   10.1750  2.676208E+00  4.368363E+00
   10.2250  2.669868E+00  4.394545E+00
   10.2750  2.471215E+00  4.419016E+00
   10.3250  2.475849E+00  4.443772E+00
   10.3750  2.491574E+00  4.468927E+00
   10.4250  2.305528E+00  4.492428E+00
   10.4750  2.228171E+00  4.515360E+00
   10.5250  2.189491E+00  4.538109E+00
   10.5750  2.197101E+00  4.561154E+00
   10.6250  2.116163E+00  4.583561E+00
   10.6750  1.959828E+00  4.604509E+00
   10.7250  1.935255E+00  4.625388E+00
   10.7750  1.858696E+00  4.645628E+00
   10.8250  1.877878E+00  4.666268E+00
   10.8750  1.755795E+00  4.685744E+00
   10.9250  1.765226E+00  4.705505E+00
   10.9750  1.594750E+00  4.723522E+00
   11.0250  1.638330E+00  4.742200E+00
   11.0750  1.625552E+00  4.760901E+00
   11.1250  1.513726E+00  4.778473E+00
   11.1750  1.426222E+00  4.795179E+00
   11.2250  1.403896E+00  4.811770E+00
   11.2750  1.403905E+00  4.828510E+00
   11.3250  1.313807E+00  4.844314E+00
   11.3750  1.353020E+00  4.860735E+00
   11.4250  1.291840E+00  4.876551E+00
   11.4750  1.264911E+00  4.892173E+00
   11.5250  1.288740E+00  4.908228E+00
   11.5750  1.247686E+00  4.923908E+00
   11.6250  1.190196E+00  4.938994E+00
   11.6750  1.121156E+00  4.953327E+00
   11.7250  1.133723E+00  4.967946E+00
   11.7750  1.113593E+00  4.982428E+00
   11.8250  1.078982E+00  4.996579E+00
   11.8750  1.004392E+00  5.009864E+00
   11.9250  9.216089E-01  5.022156E+00
   11.9750  9.062987E-01  5.034346E+00
   12.0250  8.592616E-01  5.046000E+00
   12.0750  8.963526E-01  5.058258E+00
   12.1250  8.286077E-01  5.069684E+00
   12.1750  7.824474E-01  5.080562E+00
   12.2250  7.410805E-01  5.090951E+00
   12.2750  6.987465E-01  5.100826E+00
   12.3250  6.130553E-01  5.109560E+00
   12.3750  6.311338E-01  5.118626E+00
   12.4250  6.126770E-01  5.127497E+00
   12.4750  5.874643E-01  5.136072E+00
   12.5250  5.525592E-01  5.144203E+00
   12.5750  5.243402E-01  5.151980E+00
   12.6250  5.140932E-01  5.159665E+00
   12.6750  4.411816E-01  5.166313E+00
   12.7250  4.076890E-01  5.172505E+00
   12.7750  4.067388E-01  5.178731E+00
   12.8250  3.806600E-01  5.184604E+00
   12.8750  3.425052E-01  5.189929E+00
   12.9250  3.347661E-01  5.195174E+00
   12.9750  3.148593E-01  5.200146E+00
   13.0250  3.174630E-01  5.205198E+00
   13.0750  3.015277E-01  5.210032E+00
   13.1250  2.837084E-01  5.214616E+00
   13.1750  2.661504E-01  5.218950E+00
   13.2250  2.544102E-01  5.223123E+00
   13.2750  2.787129E-01  5.227730E+00
   13.3250  2.369117E-01  5.231675E+00
   13.3750  2.575707E-01  5.235997E+00
   13.4250  2.165316E-01  5.239657E+00
   13.4750  2.062234E-01  5.243170E+00
   13.5250  1.834338E-01  5.246317E+00
   13.5750  1.933004E-01  5.249658E+00
   13.6250  1.591395E-01  5.252429E+00
   13.6750  1.456258E-01  5.254983E+00
   13.7250  1.310135E-01  5.257298E+00
   13.7750  1.262199E-01  5.259544E+00
   13.8250  9.414045E-02  5.261232E+00
   13.8750  9.093716E-02  5.262874E+00
   13.9250  9.655509E-02  5.264630E+00
   13.9750  5.913776E-02  5.265713E+00

g(r)  :CT      Oe      

        r      g(r)         n(r)

    2.4250  0.000000E+00  0.000000E+00
    2.4750  0.000000E+00  0.000000E+00
    2.5250  3.050903E-01  1.824485E-04
    2.5750  1.943493E+00  1.391169E-03
    2.6250  7.974657E+00  6.545338E-03
    2.6750  1.739743E+01  1.822204E-02
    2.7250  2.547474E+01  3.596515E-02
    2.7750  2.518073E+01  5.415298E-02
    2.8250  1.974250E+01  6.893131E-02
    2.8750  1.232545E+01  7.848705E-02
    2.9250  1.105510E+01  8.735860E-02
    2.9750  1.096135E+01  9.645822E-02
    3.0250  1.351156E+01  1.080551E-01
    3.0750  1.410432E+01  1.205642E-01
    3.1250  1.547416E+01  1.347382E-01
    3.1750  1.536450E+01  1.492656E-01
    3.2250  1.547623E+01  1.643633E-01
    3.2750  1.482593E+01  1.792784E-01
    3.3250  1.402052E+01  1.938173E-01
    3.3750  1.392837E+01  2.086982E-01
    3.4250  1.341068E+01  2.234537E-01
    3.4750  1.364167E+01  2.389049E-01
    3.5250  1.312045E+01  2.541963E-01
    3.5750  1.267991E+01  2.693966E-01
    3.6250  1.324846E+01  2.857257E-01
    3.6750  1.253035E+01  3.015987E-01
    3.7250  1.245908E+01  3.178138E-01
    3.7750  1.265162E+01  3.347245E-01
    3.8250  1.274681E+01  3.522167E-01
    3.8750  1.280052E+01  3.702449E-01
    3.9250  1.437833E+01  3.910213E-01
    3.9750  1.558852E+01  4.141238E-01
    4.0250  1.646435E+01  4.391420E-01
    4.0750  2.099732E+01  4.718459E-01
    4.1250  2.600719E+01  5.133529E-01
    4.1750  3.029821E+01  5.628877E-01
    4.2250  3.318817E+01  6.184547E-01
    4.2750  3.127220E+01  6.720603E-01
    4.3250  2.831756E+01  7.217433E-01
    4.3750  2.576852E+01  7.680054E-01
    4.4250  2.451892E+01  8.130359E-01
    4.4750  2.296023E+01  8.561622E-01
    4.5250  2.203407E+01  8.984788E-01
    4.5750  2.092778E+01  9.395639E-01
    4.6250  2.052889E+01  9.807517E-01
    4.6750  2.048706E+01  1.022749E+00
    4.7250  2.034438E+01  1.065351E+00
    4.7750  2.038978E+01  1.108956E+00
    4.8250  2.021482E+01  1.153097E+00
    4.8750  2.023200E+01  1.198196E+00
    4.9250  1.928197E+01  1.242063E+00
    4.9750  1.825287E+01  1.284437E+00
    5.0250  1.715479E+01  1.325066E+00
    5.0750  1.604430E+01  1.363825E+00
    5.1250  1.543191E+01  1.401843E+00
    5.1750  1.475836E+01  1.438914E+00
    5.2250  1.386272E+01  1.474412E+00
    5.2750  1.348320E+01  1.509601E+00
    5.3250  1.306398E+01  1.544346E+00
    5.3750  1.251907E+01  1.578270E+00
    5.4250  1.253723E+01  1.612879E+00
    5.4750  1.262158E+01  1.648365E+00
    5.5250  1.327833E+01  1.686383E+00
    5.5750  1.378051E+01  1.726555E+00
    5.6250  1.340982E+01  1.766352E+00
    5.6750  1.400883E+01  1.808669E+00
    5.7250  1.431047E+01  1.852661E+00
    5.7750  1.416581E+01  1.896974E+00
    5.8250  1.372302E+01  1.940647E+00
    5.8750  1.363132E+01  1.984777E+00
    5.9250  1.286545E+01  2.027139E+00
    5.9750  1.265443E+01  2.069513E+00
    6.0250  1.260603E+01  2.112434E+00
    6.0750  1.198760E+01  2.153929E+00
    6.1250  1.222045E+01  2.196930E+00
    6.1750  1.183843E+01  2.239270E+00
    6.2250  1.182785E+01  2.282259E+00
    6.2750  1.193034E+01  2.326320E+00
    6.3250  1.117418E+01  2.368249E+00
    6.3750  1.111924E+01  2.410634E+00
    6.4250  1.106171E+01  2.453464E+00
    6.4750  1.055806E+01  2.494983E+00
    6.5250  1.035975E+01  2.536353E+00
    6.5750  9.960939E+00  2.576742E+00
    6.6250  9.406741E+00  2.615467E+00
    6.6750  9.571948E+00  2.655469E+00
    6.7250  9.575306E+00  2.696086E+00
    6.7750  9.188171E+00  2.735644E+00
    6.8250  8.816531E+00  2.774163E+00
    6.8750  8.832798E+00  2.813321E+00
    6.9250  8.482616E+00  2.851476E+00
    6.9750  8.688799E+00  2.891124E+00
    7.0250  8.341378E+00  2.929735E+00
    7.0750  8.289473E+00  2.968653E+00
    7.1250  8.168749E+00  3.007549E+00
    7.1750  8.166289E+00  3.046980E+00
    7.2250  8.649874E+00  3.089331E+00
    7.2750  8.303973E+00  3.130553E+00
    7.3250  8.064109E+00  3.171137E+00
    7.3750  7.731614E+00  3.210580E+00
    7.4250  7.610194E+00  3.249932E+00
    7.4750  7.306376E+00  3.288223E+00
    7.5250  7.372776E+00  3.327381E+00
    7.5750  6.968549E+00  3.364886E+00
    7.6250  6.871185E+00  3.402356E+00
    7.6750  6.530155E+00  3.438435E+00
    7.7250  6.466269E+00  3.474628E+00
    7.7750  6.471859E+00  3.511323E+00
    7.8250  6.325880E+00  3.547653E+00
    7.8750  6.190915E+00  3.583664E+00
    7.9250  6.140144E+00  3.619834E+00
    7.9750  6.327185E+00  3.657578E+00
    8.0250  6.324099E+00  3.695779E+00
    8.0750  6.057712E+00  3.732827E+00
    8.1250  5.968652E+00  3.769784E+00
    8.1750  5.948620E+00  3.807072E+00
    8.2250  5.978951E+00  3.845010E+00
    8.2750  5.951302E+00  3.883233E+00
    8.3250  5.371316E+00  3.918149E+00
    8.3750  5.225908E+00  3.952529E+00
    8.4250  5.052732E+00  3.986168E+00
    8.4750  4.817254E+00  4.018621E+00
    8.5250  4.760913E+00  4.051074E+00
    8.5750  4.783263E+00  4.084063E+00
    8.6250  4.683840E+00  4.116744E+00
    8.6750  4.584770E+00  4.149106E+00
    8.7250  4.313580E+00  4.179906E+00
    8.7750  4.261405E+00  4.210682E+00
    8.8250  4.072760E+00  4.240433E+00
    8.8750  3.985325E+00  4.269875E+00
    8.9250  3.994215E+00  4.299717E+00
    8.9750  3.767210E+00  4.328179E+00
    9.0250  3.534529E+00  4.355182E+00
    9.0750  3.715645E+00  4.383883E+00
    9.1250  3.369879E+00  4.410201E+00
    9.1750  3.349137E+00  4.436645E+00
    9.2250  3.432933E+00  4.464046E+00
    9.2750  3.468095E+00  4.492029E+00
    9.3250  3.211498E+00  4.518222E+00
    9.3750  3.272778E+00  4.545202E+00
    9.4250  3.068437E+00  4.570767E+00
    9.4750  3.098432E+00  4.596857E+00
    9.5250  3.067328E+00  4.622959E+00
    9.5750  2.756902E+00  4.646666E+00
    9.6250  2.532796E+00  4.668674E+00
    9.6750  2.569027E+00  4.691229E+00
    9.7250  2.520825E+00  4.713590E+00
    9.7750  2.505282E+00  4.736043E+00
    9.8250  2.341309E+00  4.757241E+00
    9.8750  2.298958E+00  4.778268E+00
    9.9250  2.289430E+00  4.799421E+00
    9.9750  2.102807E+00  4.819045E+00
   10.0250  2.123014E+00  4.839058E+00
   10.0750  2.075644E+00  4.858819E+00
   10.1250  1.991155E+00  4.877965E+00
   10.1750  1.871819E+00  4.896141E+00
   10.2250  1.895420E+00  4.914728E+00
   10.2750  1.919625E+00  4.933737E+00
   10.3250  1.850900E+00  4.952244E+00
   10.3750  1.924588E+00  4.971675E+00
   10.4250  1.935256E+00  4.991402E+00
   10.4750  1.752843E+00  5.009442E+00
   10.5250  1.692329E+00  5.027025E+00
   10.5750  1.710064E+00  5.044962E+00
   10.6250  1.626161E+00  5.062181E+00
   10.6750  1.667507E+00  5.080004E+00
   10.7250  1.574839E+00  5.096994E+00
   10.7750  1.472297E+00  5.113027E+00
   10.8250  1.441090E+00  5.128866E+00
   10.8750  1.449456E+00  5.144944E+00
   10.9250  1.423996E+00  5.160885E+00
   10.9750  1.417107E+00  5.176895E+00
   11.0250  1.388279E+00  5.192723E+00
   11.0750  1.295486E+00  5.207626E+00
   11.1250  1.284850E+00  5.222542E+00
   11.1750  1.257801E+00  5.237274E+00
   11.2250  1.192588E+00  5.251368E+00
   11.2750  1.214550E+00  5.265850E+00
   11.3250  1.167828E+00  5.279899E+00
   11.3750  1.200806E+00  5.294472E+00
   11.4250  1.032913E+00  5.307118E+00
   11.4750  1.001772E+00  5.319490E+00
   11.5250  9.903530E-01  5.331828E+00
   11.5750  9.709267E-01  5.344029E+00
   11.6250  9.068162E-01  5.355524E+00
   11.6750  9.115527E-01  5.367178E+00
   11.7250  8.206670E-01  5.377760E+00
   11.7750  7.461951E-01  5.387464E+00
   11.8250  7.346815E-01  5.397099E+00
   11.8750  7.129892E-01  5.406529E+00
   11.9250  6.899243E-01  5.415732E+00
   11.9750  6.324592E-01  5.424238E+00
   12.0250  5.834908E-01  5.432152E+00
   12.0750  5.528203E-01  5.439712E+00
   12.1250  5.391738E-01  5.447147E+00
   12.1750  5.216316E-01  5.454399E+00
   12.2250  5.214408E-01  5.461709E+00
   12.2750  5.704547E-01  5.469771E+00
   12.3250  5.010086E-01  5.476909E+00
   12.3750  5.049071E-01  5.484161E+00
   12.4250  4.961266E-01  5.491345E+00
   12.4750  4.648155E-01  5.498130E+00
   12.5250  4.572369E-01  5.504858E+00
   12.5750  3.951772E-01  5.510719E+00
   12.6250  3.462883E-01  5.515896E+00
   12.6750  3.594533E-01  5.521312E+00
   12.7250  3.311066E-01  5.526341E+00
   12.7750  3.650220E-01  5.531928E+00
   12.8250  2.971366E-01  5.536512E+00
   12.8750  2.830985E-01  5.540914E+00
   12.9250  2.736349E-01  5.545202E+00
   12.9750  2.462546E-01  5.549090E+00
   13.0250  2.264521E-01  5.552693E+00
   13.0750  2.105005E-01  5.556069E+00
   13.1250  2.244261E-01  5.559695E+00
   13.1750  2.276286E-01  5.563401E+00
   13.2250  2.321667E-01  5.567209E+00
   13.2750  1.993763E-01  5.570505E+00
   13.3250  2.163702E-01  5.574108E+00
   13.3750  2.038818E-01  5.577529E+00
   13.4250  2.266499E-01  5.581361E+00
   13.4750  2.109103E-01  5.584953E+00
   13.5250  1.781169E-01  5.588009E+00
   13.5750  1.860434E-01  5.591224E+00
   13.6250  1.886098E-01  5.594508E+00
   13.6750  1.690299E-01  5.597473E+00
   13.7250  1.510205E-01  5.600141E+00
   13.7750  1.262199E-01  5.602388E+00
   13.8250  1.214921E-01  5.604566E+00
   13.8750  1.161975E-01  5.606664E+00
   13.9250  9.969000E-02  5.608477E+00
   13.9750  1.151630E-01  5.610587E+00

g(r)  :CT      O       

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  1.833484E-02  1.140303E-05
    2.6250  0.000000E+00  1.140303E-05
    2.6750  3.397935E-02  3.420909E-05
    2.7250  3.110669E-01  2.508666E-04
    2.7750  5.209806E-01  6.271666E-04
    2.8250  1.340540E+00  1.630633E-03
    2.8750  2.868093E+00  3.854224E-03
    2.9250  5.101260E+00  7.947911E-03
    2.9750  7.307567E+00  1.401432E-02
    3.0250  9.738424E+00  2.237274E-02
    3.0750  1.118574E+01  3.229338E-02
    3.1250  1.300925E+01  4.420954E-02
    3.1750  1.351931E+01  5.699234E-02
    3.2250  1.514894E+01  7.177066E-02
    3.2750  1.564204E+01  8.750684E-02
    3.3250  1.637376E+01  1.044860E-01
    3.3750  1.661799E+01  1.222405E-01
    3.4250  1.725563E+01  1.412265E-01
    3.4750  1.789022E+01  1.614897E-01
    3.5250  1.908873E+01  1.837370E-01
    3.5750  1.852999E+01  2.059501E-01
    3.6250  1.779106E+01  2.278781E-01
    3.6750  1.713021E+01  2.495781E-01
    3.7250  1.736560E+01  2.721789E-01
    3.7750  1.627734E+01  2.939359E-01
    3.8250  1.690989E+01  3.171410E-01
    3.8750  1.626581E+01  3.400497E-01
    3.9250  1.571200E+01  3.627531E-01
    3.9750  1.534230E+01  3.854908E-01
    4.0250  1.503854E+01  4.083425E-01
    4.0750  1.587977E+01  4.330756E-01
    4.1250  1.611874E+01  4.588009E-01
    4.1750  1.743682E+01  4.873084E-01
    4.2250  1.933536E+01  5.196816E-01
    4.2750  2.026273E+01  5.544153E-01
    4.3250  2.023890E+01  5.899243E-01
    4.3750  1.899769E+01  6.240307E-01
    4.4250  1.743457E+01  6.560504E-01
    4.4750  1.620329E+01  6.864851E-01
    4.5250  1.620344E+01  7.176040E-01
    4.5750  1.513096E+01  7.473089E-01
    4.6250  1.472601E+01  7.768541E-01
    4.6750  1.439045E+01  8.063538E-01
    4.7250  1.303652E+01  8.336526E-01
    4.7750  1.338346E+01  8.622742E-01
    4.8250  1.243909E+01  8.894362E-01
    4.8750  1.251263E+01  9.173280E-01
    4.9250  1.308688E+01  9.471014E-01
    4.9750  1.299215E+01  9.772624E-01
    5.0250  1.338969E+01  1.008974E+00
    5.0750  1.312716E+01  1.040686E+00
    5.1250  1.271952E+01  1.072022E+00
    5.1750  1.215715E+01  1.102559E+00
    5.2250  1.144910E+01  1.131876E+00
    5.2750  1.176176E+01  1.162573E+00
    5.3250  1.185490E+01  1.194102E+00
    5.3750  1.171954E+01  1.225860E+00
    5.4250  1.174410E+01  1.258279E+00
    5.4750  1.089787E+01  1.288919E+00
    5.5250  1.055814E+01  1.319148E+00
    5.5750  1.043611E+01  1.349571E+00
    5.6250  9.951698E+00  1.379105E+00
    5.6750  9.580814E+00  1.408046E+00
    5.7250  9.796253E+00  1.438161E+00
    5.7750  9.266467E+00  1.467148E+00
    5.8250  9.380380E+00  1.497001E+00
    5.8750  1.007027E+01  1.529602E+00
    5.9250  9.849079E+00  1.562032E+00
    5.9750  1.010720E+01  1.595877E+00
    6.0250  9.745895E+00  1.629059E+00
    6.0750  9.918844E+00  1.663394E+00
    6.1250  9.527480E+00  1.696919E+00
    6.1750  9.590624E+00  1.731219E+00
    6.2250  9.503062E+00  1.765759E+00
    6.2750  1.005310E+01  1.802887E+00
    6.3250  9.894786E+00  1.840016E+00
    6.3750  9.590610E+00  1.876574E+00
    6.4250  9.444867E+00  1.913143E+00
    6.4750  9.000888E+00  1.948538E+00
    6.5250  8.897738E+00  1.984070E+00
    6.5750  8.909163E+00  2.020195E+00
    6.6250  8.279372E+00  2.054278E+00
    6.6750  8.363176E+00  2.089229E+00
    6.7250  8.258097E+00  2.124259E+00
    6.7750  8.467738E+00  2.160714E+00
    6.8250  8.584242E+00  2.198219E+00
    6.8750  8.040573E+00  2.233865E+00
    6.9250  8.472476E+00  2.271974E+00
    6.9750  8.363937E+00  2.310140E+00
    7.0250  8.612362E+00  2.350005E+00
    7.0750  8.029592E+00  2.387703E+00
    7.1250  8.087325E+00  2.426211E+00
    7.1750  7.984449E+00  2.464765E+00
    7.2250  7.806779E+00  2.502988E+00
    7.2750  7.557419E+00  2.540504E+00
    7.3250  7.536169E+00  2.578430E+00
    7.3750  7.371744E+00  2.616037E+00
    7.4250  7.277207E+00  2.653667E+00
    7.4750  7.043103E+00  2.690579E+00
    7.5250  6.874673E+00  2.727091E+00
    7.5750  7.159236E+00  2.765622E+00
    7.6250  6.969464E+00  2.803628E+00
    7.6750  6.854186E+00  2.841498E+00
    7.7250  6.747411E+00  2.879265E+00
    7.7750  7.039002E+00  2.919175E+00
    7.8250  6.971175E+00  2.959211E+00
    7.8750  7.220121E+00  3.001209E+00
    7.9250  7.071231E+00  3.042864E+00
    7.9750  7.021072E+00  3.084747E+00
    8.0250  6.841353E+00  3.126072E+00
    8.0750  6.784861E+00  3.167568E+00
    8.1250  6.685037E+00  3.208960E+00
    8.1750  6.709024E+00  3.251015E+00
    8.2250  6.669037E+00  3.293332E+00
    8.2750  6.551404E+00  3.335409E+00
    8.3250  6.465928E+00  3.377440E+00
    8.3750  6.213890E+00  3.418320E+00
    8.4250  5.912553E+00  3.457683E+00
    8.4750  5.721124E+00  3.496226E+00
    8.5250  5.607371E+00  3.534449E+00
    8.5750  5.161890E+00  3.570049E+00
    8.6250  5.022136E+00  3.605090E+00
    8.6750  4.751166E+00  3.638627E+00
    8.7250  4.628195E+00  3.671673E+00
    8.7750  4.673493E+00  3.705426E+00
    8.8250  4.427117E+00  3.737765E+00
    8.8750  4.368113E+00  3.770035E+00
    8.9250  4.357464E+00  3.802591E+00
    8.9750  4.342253E+00  3.835397E+00
    9.0250  4.298751E+00  3.868238E+00
    9.0750  4.171797E+00  3.900463E+00
    9.1250  4.127664E+00  3.932699E+00
    9.1750  3.996145E+00  3.964252E+00
    9.2250  3.972945E+00  3.995963E+00
    9.2750  3.848257E+00  4.027014E+00
    9.3250  3.822479E+00  4.058190E+00
    9.3750  3.743084E+00  4.089046E+00
    9.4250  3.776011E+00  4.120507E+00
    9.4750  3.770119E+00  4.152253E+00
    9.5250  3.634160E+00  4.183178E+00
    9.5750  3.740846E+00  4.215346E+00
    9.6250  3.660087E+00  4.247149E+00
    9.6750  3.448315E+00  4.277424E+00
    9.7250  3.421946E+00  4.307779E+00
    9.7750  3.362854E+00  4.337917E+00
    9.8250  3.255666E+00  4.367394E+00
    9.8750  3.142990E+00  4.396141E+00
    9.9250  2.965768E+00  4.423543E+00
    9.9750  2.911673E+00  4.450716E+00
   10.0250  2.879073E+00  4.477855E+00
   10.0750  2.809845E+00  4.504607E+00
   10.1250  2.846201E+00  4.531974E+00
   10.1750  2.765455E+00  4.558828E+00
   10.2250  2.710567E+00  4.585409E+00
   10.2750  2.614007E+00  4.611294E+00
   10.3250  2.649193E+00  4.637783E+00
   10.3750  2.628238E+00  4.664318E+00
   10.4250  2.433053E+00  4.689119E+00
   10.4750  2.389938E+00  4.713716E+00
   10.5250  2.320092E+00  4.737822E+00
   10.5750  2.229715E+00  4.761209E+00
   10.6250  2.210933E+00  4.784620E+00
   10.6750  2.139061E+00  4.807483E+00
   10.7250  2.026152E+00  4.829342E+00
   10.7750  1.955034E+00  4.850632E+00
   10.8250  1.921453E+00  4.871750E+00
   10.8750  1.806167E+00  4.891785E+00
   10.9250  1.771337E+00  4.911615E+00
   10.9750  1.656319E+00  4.930327E+00
   11.0250  1.629328E+00  4.948903E+00
   11.0750  1.613658E+00  4.967467E+00
   11.1250  1.630620E+00  4.986396E+00
   11.1750  1.605352E+00  5.005200E+00
   11.2250  1.517751E+00  5.023137E+00
   11.2750  1.608561E+00  5.042317E+00
   11.3250  1.477795E+00  5.060094E+00
   11.3750  1.525906E+00  5.078612E+00
   11.4250  1.435274E+00  5.096185E+00
   11.4750  1.409867E+00  5.113597E+00
   11.5250  1.303385E+00  5.129835E+00
   11.5750  1.283075E+00  5.145959E+00
   11.6250  1.203691E+00  5.161216E+00
   11.6750  1.050694E+00  5.174649E+00
   11.7250  1.086853E+00  5.188663E+00
   11.7750  1.016263E+00  5.201879E+00
   11.8250  9.694318E-01  5.214594E+00
   11.8750  9.526639E-01  5.227194E+00
   11.9250  8.660388E-01  5.238745E+00
   11.9750  7.180870E-01  5.248404E+00
   12.0250  7.550068E-01  5.258643E+00
   12.0750  7.579391E-01  5.269009E+00
   12.1250  7.665861E-01  5.279579E+00
   12.1750  7.726053E-01  5.290321E+00
   12.2250  7.117952E-01  5.300299E+00
   12.2750  7.027808E-01  5.310231E+00
   12.3250  6.298623E-01  5.319205E+00
   12.3750  6.144624E-01  5.328031E+00
   12.4250  5.827519E-01  5.336469E+00
   12.4750  5.866831E-01  5.345033E+00
   12.5250  5.827833E-01  5.353608E+00
   12.5750  6.027606E-01  5.362548E+00
   12.6250  5.598582E-01  5.370918E+00
   12.6750  6.016113E-01  5.379983E+00
   12.7250  5.315724E-01  5.388056E+00
   12.7750  5.616869E-01  5.396654E+00
   12.8250  4.959667E-01  5.404306E+00
   12.8750  4.319820E-01  5.411022E+00
   12.9250  4.541175E-01  5.418138E+00
   12.9750  4.022400E-01  5.424489E+00
   13.0250  3.740760E-01  5.430442E+00
   13.0750  3.804654E-01  5.436542E+00
   13.1250  3.662803E-01  5.442460E+00
   13.1750  3.389916E-01  5.447979E+00
   13.2250  3.155799E-01  5.453156E+00
   13.2750  3.138970E-01  5.458345E+00
   13.3250  2.834724E-01  5.463066E+00
   13.3750  2.643668E-01  5.467501E+00
   13.4250  2.758923E-01  5.472165E+00
   13.4750  2.651444E-01  5.476681E+00
   13.5250  2.525538E-01  5.481014E+00
   13.5750  2.513565E-01  5.485359E+00
   13.6250  2.351074E-01  5.489452E+00
   13.6750  1.963347E-01  5.492896E+00
   13.7250  2.207223E-01  5.496796E+00
   13.7750  2.248893E-01  5.500798E+00
   13.8250  2.099078E-01  5.504561E+00
   13.8750  1.913469E-01  5.508016E+00
   13.9250  2.025149E-01  5.511700E+00
   13.9750  1.512682E-01  5.514470E+00

g(r)  :CT      K       

        r      g(r)         n(r)

    2.9250  0.000000E+00  0.000000E+00
    2.9750  0.000000E+00  0.000000E+00
    3.0250  9.447614E-02  4.561211E-05
    3.0750  2.971436E-01  1.938515E-04
    3.1250  4.205011E-01  4.105090E-04
    3.1750  2.787210E-01  5.587484E-04
    3.2250  4.779500E-01  8.210181E-04
    3.2750  3.627140E-01  1.026273E-03
    3.3250  5.278312E-01  1.334154E-03
    3.3750  6.071798E-01  1.699051E-03
    3.4250  6.264304E-01  2.086754E-03
    3.4750  8.233103E-01  2.611294E-03
    3.5250  7.131504E-01  3.078818E-03
    3.5750  8.455390E-01  3.648969E-03
    3.6250  8.223750E-01  4.219121E-03
    3.6750  7.681440E-01  4.766466E-03
    3.7250  7.476614E-01  5.313811E-03
    3.7750  6.218225E-01  5.781336E-03
    3.8250  7.533970E-01  6.362890E-03
    3.8750  7.628677E-01  6.967251E-03
    3.9250  7.716144E-01  7.594417E-03
    3.9750  7.523250E-01  8.221584E-03
    4.0250  8.271364E-01  8.928571E-03
    4.0750  1.184414E+00  9.966247E-03
    4.1250  1.536933E+00  1.134601E-02
    4.1750  1.599537E+00  1.281700E-02
    4.2250  1.864597E+00  1.457307E-02
    4.2750  2.069587E+00  1.656860E-02
    4.3250  1.918023E+00  1.846150E-02
    4.3750  2.134144E+00  2.061668E-02
    4.4250  2.571861E+00  2.327358E-02
    4.4750  3.021971E+00  2.646643E-02
    4.5250  2.923890E+00  2.962507E-02
    4.5750  2.602177E+00  3.249863E-02
    4.6250  2.586634E+00  3.541781E-02
    4.6750  2.719494E+00  3.855364E-02
    4.7250  2.865542E+00  4.192894E-02
    4.7750  3.061784E+00  4.561211E-02
    4.8250  2.794414E+00  4.904443E-02
    4.8750  2.992028E+00  5.279602E-02
    4.9250  2.860300E+00  5.645639E-02
    4.9750  3.134927E+00  6.055008E-02
    5.0250  2.918781E+00  6.443851E-02
    5.0750  2.702110E+00  6.811029E-02
    5.1250  2.361639E+00  7.138296E-02
    5.1750  2.663254E+00  7.514596E-02
    5.2250  2.652111E+00  7.896597E-02
    5.2750  2.283610E+00  8.231846E-02
    5.3250  2.263794E+00  8.570516E-02
    5.3750  2.438823E+00  8.942255E-02
    5.4250  2.372044E+00  9.310573E-02
    5.4750  1.997245E+00  9.626437E-02
    5.5250  1.925858E+00  9.936599E-02
    5.5750  1.863653E+00  1.024220E-01
    5.6250  1.994609E+00  1.057517E-01
    5.6750  1.818685E+00  1.088419E-01
    5.7250  2.169526E+00  1.125935E-01
    5.7750  2.008990E+00  1.161284E-01
    5.8250  2.369579E+00  1.203704E-01
    5.8750  2.273061E+00  1.245097E-01
    5.9250  2.370305E+00  1.288998E-01
    5.9750  2.003883E+00  1.326742E-01
    6.0250  1.827867E+00  1.361750E-01
    6.0750  1.903317E+00  1.398810E-01
    6.1250  1.682252E+00  1.432106E-01
    6.1750  2.046227E+00  1.473271E-01
    6.2250  1.829429E+00  1.510673E-01
    6.2750  1.954083E+00  1.551268E-01
    6.3250  1.550534E+00  1.583995E-01
    6.3750  1.425263E+00  1.614555E-01
    6.4250  1.403166E+00  1.645115E-01
    6.4750  1.469217E+00  1.677614E-01
    6.5250  1.680303E+00  1.715358E-01
    6.5750  1.309877E+00  1.745234E-01
    6.6250  1.521624E+00  1.780469E-01
    6.6750  1.406748E+00  1.813538E-01
    6.7250  1.691763E+00  1.853904E-01
    6.7750  1.610380E+00  1.892903E-01
    6.8250  1.679671E+00  1.934182E-01
    6.8750  1.856528E+00  1.980478E-01
    6.9250  1.834323E+00  2.026888E-01
    6.9750  1.590434E+00  2.067711E-01
    7.0250  1.668604E+00  2.111157E-01
    7.0750  1.550110E+00  2.152094E-01
    7.1250  1.341102E+00  2.188013E-01
    7.1750  1.360261E+00  2.224959E-01
    7.2250  1.279393E+00  2.260194E-01
    7.2750  1.396629E+00  2.299193E-01
    7.3250  1.236643E+00  2.334200E-01
    7.3750  1.255695E+00  2.370234E-01
    7.4250  1.172194E+00  2.404329E-01
    7.4750  1.241663E+00  2.440932E-01
    7.5250  1.183232E+00  2.476282E-01
    7.5750  1.344696E+00  2.516991E-01
    7.6250  1.211879E+00  2.554164E-01
    7.6750  1.306214E+00  2.594759E-01
    7.7250  1.224168E+00  2.633301E-01
    7.7750  1.197748E+00  2.671502E-01
    7.8250  1.157781E+00  2.708903E-01
    7.8750  1.157066E+00  2.746762E-01
    7.9250  1.128747E+00  2.784163E-01
    7.9750  1.090850E+00  2.820767E-01
    8.0250  1.020246E+00  2.855432E-01
    8.0750  1.004336E+00  2.889984E-01
    8.1250  8.217665E-01  2.918605E-01
    8.1750  7.858727E-01  2.946315E-01
    8.2250  7.539832E-01  2.973226E-01
    8.2750  8.522151E-01  3.004014E-01
    8.3250  8.825503E-01  3.036284E-01
    8.3750  7.796010E-01  3.065134E-01
    8.4250  8.495441E-01  3.096949E-01
    8.4750  8.305221E-01  3.128421E-01
    8.5250  8.178346E-01  3.159779E-01
    8.5750  9.317783E-01  3.195927E-01
    8.6250  8.106018E-01  3.227741E-01
    8.6750  8.357485E-01  3.260924E-01
    8.7250  7.495397E-01  3.291028E-01
    8.7750  6.820774E-01  3.318737E-01
    8.8250  7.770523E-01  3.350666E-01
    8.8750  7.491134E-01  3.381796E-01
    8.9250  6.756232E-01  3.410190E-01
    8.9750  7.942267E-01  3.443943E-01
    9.0250  7.270727E-01  3.475187E-01
    9.0750  6.980878E-01  3.505519E-01
    9.1250  6.774800E-01  3.535281E-01
    9.1750  7.779509E-01  3.569832E-01
    9.2250  7.695407E-01  3.604383E-01
    9.2750  7.436792E-01  3.638136E-01
    9.3250  6.711009E-01  3.668924E-01
    9.3750  6.934710E-01  3.701081E-01
    9.4250  7.080306E-01  3.734264E-01
    9.4750  6.211308E-01  3.763684E-01
    9.5250  6.360673E-01  3.794130E-01
    9.5750  6.695185E-01  3.826514E-01
    9.6250  7.162403E-01  3.861522E-01
    9.6750  8.150694E-01  3.901774E-01
    9.7250  8.409892E-01  3.943737E-01
    9.7750  7.826443E-01  3.983192E-01
    9.8250  8.082839E-01  4.024357E-01
    9.8750  7.956867E-01  4.065294E-01
    9.9250  7.701370E-01  4.105318E-01
    9.9750  7.580913E-01  4.145115E-01
   10.0250  7.656021E-01  4.185710E-01
   10.0750  8.304173E-01  4.230182E-01
   10.1250  8.095862E-01  4.273969E-01
   10.1750  7.640718E-01  4.315704E-01
   10.2250  7.566175E-01  4.357439E-01
   10.2750  8.106875E-01  4.402595E-01
   10.3250  7.318954E-01  4.443760E-01
   10.3750  8.433251E-01  4.491653E-01
   10.4250  8.312777E-01  4.539318E-01
   10.4750  8.076027E-01  4.586070E-01
   10.5250  7.901923E-01  4.632252E-01
   10.5750  7.943338E-01  4.679119E-01
   10.6250  8.462261E-01  4.729520E-01
   10.6750  8.136611E-01  4.778439E-01
   10.7250  7.628751E-01  4.824735E-01
   10.7750  8.246909E-01  4.875251E-01
   10.8250  8.263123E-01  4.926336E-01
   10.8750  9.229005E-01  4.983922E-01
   10.9250  9.180939E-01  5.041735E-01
   10.9750  8.792433E-01  5.097610E-01
   11.0250  8.659520E-01  5.153143E-01
   11.0750  9.057278E-01  5.211754E-01
   11.1250  8.923658E-01  5.270024E-01
   11.1750  8.290153E-01  5.324644E-01
   11.2250  7.633248E-01  5.375388E-01
   11.2750  8.279764E-01  5.430920E-01
   11.3250  8.307926E-01  5.487137E-01
   11.3750  7.767339E-01  5.540161E-01
   11.4250  8.560522E-01  5.599115E-01
   11.4750  9.454514E-01  5.664797E-01
   11.5250  8.868226E-01  5.726943E-01
   11.5750  9.146674E-01  5.791598E-01
   11.6250  8.780284E-01  5.854201E-01
   11.6750  8.768665E-01  5.917260E-01
   11.7250  8.049454E-01  5.975643E-01
   11.7750  8.511242E-01  6.037904E-01
   11.8250  8.593986E-01  6.101305E-01
   11.8750  8.874287E-01  6.167328E-01
   11.9250  8.617642E-01  6.231983E-01
   11.9750  8.048452E-01  6.292875E-01
   12.0250  8.848583E-01  6.360381E-01
   12.0750  8.597573E-01  6.426519E-01
   12.1250  8.570916E-01  6.492999E-01
   12.1750  8.004913E-01  6.555601E-01
   12.2250  8.113109E-01  6.619572E-01
   12.2750  8.291002E-01  6.685482E-01
   12.3250  8.195413E-01  6.751163E-01
   12.3750  8.016414E-01  6.815932E-01
   12.4250  8.582027E-01  6.885833E-01
   12.4750  8.805020E-01  6.958128E-01
   12.5250  8.541978E-01  7.028827E-01
   12.5750  8.269164E-01  7.097815E-01
   12.6250  8.732635E-01  7.171251E-01
   12.6750  8.287185E-01  7.241493E-01
   12.7250  8.435751E-01  7.313560E-01
   12.7750  8.263899E-01  7.384715E-01
   12.8250  8.133887E-01  7.455300E-01
   12.8750  8.344643E-01  7.528280E-01
   12.9250  7.620377E-01  7.595443E-01
   12.9750  7.523244E-01  7.662265E-01
   13.0250  7.567514E-01  7.729999E-01
   13.0750  8.053382E-01  7.802636E-01
   13.1250  8.945676E-01  7.883940E-01
   13.1750  8.367396E-01  7.960568E-01
   13.2250  9.465852E-01  8.047916E-01
   13.2750  8.842773E-01  8.130131E-01
   13.3250  8.520908E-01  8.209953E-01
   13.3750  8.239846E-01  8.287721E-01
   13.4250  8.106631E-01  8.364806E-01
   13.4750  8.248937E-01  8.443829E-01
   13.5250  7.904490E-01  8.520115E-01
   13.5750  8.421066E-01  8.601989E-01
   13.6250  8.685366E-01  8.687055E-01
   13.6750  8.494836E-01  8.770868E-01
   13.7250  8.696947E-01  8.857302E-01
   13.7750  8.588364E-01  8.943281E-01
   13.8250  8.447198E-01  9.028462E-01
   13.8750  8.543602E-01  9.115239E-01
   13.9250  8.504650E-01  9.202244E-01
   13.9750  8.786971E-01  9.292784E-01

g(r)  :CT      cl      

        r      g(r)         n(r)

    4.9750  0.000000E+00  0.000000E+00
    5.0250  0.000000E+00  0.000000E+00
    5.0750  1.678329E-02  2.280606E-05
    5.1250  1.645741E-02  4.561211E-05
    5.1750  1.614094E-02  6.841817E-05
    5.2250  2.375025E-02  1.026273E-04
    5.2750  3.106953E-02  1.482394E-04
    5.3250  2.286660E-02  1.824485E-04
    5.3750  2.244316E-02  2.166575E-04
    5.4250  1.468758E-02  2.394636E-04
    5.4750  7.210270E-03  2.508666E-04
    5.5250  7.080359E-03  2.622697E-04
    5.5750  0.000000E+00  2.622697E-04
    5.6250  6.830852E-03  2.736727E-04
    5.6750  6.711016E-03  2.850757E-04
    5.7250  6.594305E-03  2.964787E-04
    5.7750  3.240307E-02  3.534939E-04
    5.8250  1.273967E-02  3.762999E-04
    5.8750  3.130938E-02  4.333151E-04
    5.9250  0.000000E+00  4.333151E-04
    5.9750  3.632417E-02  5.017333E-04
    6.0250  3.572378E-02  5.701514E-04
    6.0750  2.928180E-02  6.271666E-04
    6.1250  4.608910E-02  7.183908E-04
    6.1750  1.700465E-02  7.525999E-04
    6.2250  5.019775E-02  8.552271E-04
    6.2750  3.842298E-02  9.350483E-04
    6.3250  4.322047E-02  1.026273E-03
    6.3750  1.595444E-02  1.060482E-03
    6.4250  3.141417E-02  1.128900E-03
    6.4750  3.608603E-02  1.208721E-03
    6.5250  7.614667E-02  1.379766E-03
    6.5750  4.999530E-02  1.493797E-03
    6.6250  5.416786E-02  1.619230E-03
    6.6750  7.761367E-02  1.801679E-03
    6.7250  9.557982E-02  2.029739E-03
    6.7750  7.063070E-02  2.200785E-03
    6.8250  6.495964E-02  2.360427E-03
    6.8750  1.006000E-01  2.611294E-03
    6.9250  7.211097E-02  2.793742E-03
    6.9750  1.288340E-01  3.124430E-03
    7.0250  1.182475E-01  3.432312E-03
    7.0750  1.295357E-01  3.774402E-03
    7.1250  8.940681E-02  4.013866E-03
    7.1750  1.133551E-01  4.321748E-03
    7.2250  1.614767E-01  4.766466E-03
    7.2750  1.755996E-01  5.256796E-03
    7.3250  1.852950E-01  5.781336E-03
    7.3750  1.510013E-01  6.214651E-03
    7.4250  2.156209E-01  6.841817E-03
    7.4750  2.785039E-01  7.662835E-03
    7.5250  2.442801E-01  8.392629E-03
    7.5750  1.996328E-01  8.996990E-03
    7.6250  2.081755E-01  9.635559E-03
    7.6750  2.128102E-01  1.029693E-02
    7.7250  2.752567E-01  1.116357E-02
    7.7750  3.110568E-01  1.215563E-02
    7.8250  2.894453E-01  1.309068E-02
    7.8750  2.579004E-01  1.393450E-02
    7.9250  3.406889E-01  1.506340E-02
    7.9750  3.194389E-01  1.613529E-02
    8.0250  2.684858E-01  1.704753E-02
    8.0750  2.751151E-01  1.799398E-02
    8.1250  2.553697E-01  1.888342E-02
    8.1750  2.910640E-01  1.990969E-02
    8.2250  2.619772E-01  2.084474E-02
    8.2750  2.935408E-01  2.190522E-02
    8.3250  2.401285E-01  2.278325E-02
    8.3750  2.680841E-01  2.377531E-02
    8.4250  2.740465E-01  2.480159E-02
    8.4750  2.467493E-01  2.573664E-02
    8.5250  2.646810E-01  2.675151E-02
    8.5750  2.821789E-01  2.784620E-02
    8.6250  2.702006E-01  2.890668E-02
    8.6750  3.044307E-01  3.011540E-02
    8.7250  3.435391E-01  3.149517E-02
    8.7750  4.070009E-01  3.314860E-02
    8.8250  4.079525E-01  3.482485E-02
    8.8750  4.170888E-01  3.655811E-02
    8.9250  3.717284E-01  3.812032E-02
    8.9750  3.944301E-01  3.979657E-02
    9.0250  3.980325E-01  4.150702E-02
    9.0750  4.225269E-01  4.334291E-02
    9.1250  4.153134E-01  4.516740E-02
    9.1750  4.210692E-01  4.703749E-02
    9.2250  5.130272E-01  4.934090E-02
    9.2750  5.024859E-01  5.162151E-02
    9.3250  5.642219E-01  5.421000E-02
    9.3750  5.483831E-01  5.675287E-02
    9.4250  5.717773E-01  5.943259E-02
    9.4750  5.368689E-01  6.197546E-02
    9.5250  5.050422E-01  6.439290E-02
    9.5750  4.903516E-01  6.676473E-02
    9.6250  4.502748E-01  6.896552E-02
    9.6750  4.479418E-01  7.117770E-02
    9.7250  4.113534E-01  7.323025E-02
    9.7750  4.094180E-01  7.529420E-02
    9.8250  4.612368E-01  7.764322E-02
    9.8750  4.011680E-01  7.970717E-02
    9.9250  4.519892E-01  8.205619E-02
    9.9750  4.887408E-01  8.462188E-02
   10.0250  4.258124E-01  8.687968E-02
   10.0750  4.066916E-01  8.905765E-02
   10.1250  3.331110E-01  9.085933E-02
   10.1750  3.590720E-01  9.282065E-02
   10.2250  3.142237E-01  9.455391E-02
   10.2750  3.214089E-01  9.634419E-02
   10.3250  3.507421E-01  9.831691E-02
   10.3750  3.292984E-01  1.001870E-01
   10.4250  4.076840E-01  1.025246E-01
   10.4750  3.939525E-01  1.048052E-01
   10.5250  3.941206E-01  1.071086E-01
   10.5750  4.290562E-01  1.096401E-01
   10.6250  3.331297E-01  1.116242E-01
   10.6750  3.489828E-01  1.137224E-01
   10.7250  3.494945E-01  1.158434E-01
   10.7750  3.723209E-01  1.181240E-01
   10.8250  3.633561E-01  1.203704E-01
   10.8750  3.472299E-01  1.225369E-01
   10.9250  3.531130E-01  1.247605E-01
   10.9750  3.822017E-01  1.271894E-01
   11.0250  4.231963E-01  1.299033E-01
   11.0750  4.000004E-01  1.324918E-01
   11.1250  4.435634E-01  1.353882E-01
   11.1750  4.101808E-01  1.380907E-01
   11.2250  4.322649E-01  1.409642E-01
   11.2750  4.573422E-01  1.440317E-01
   11.3250  4.246648E-01  1.469052E-01
   11.3750  4.794035E-01  1.501779E-01
   11.4250  5.480721E-01  1.539523E-01
   11.4750  5.728516E-01  1.579319E-01
   11.5250  5.695191E-01  1.619230E-01
   11.5750  5.291197E-01  1.656632E-01
   11.6250  5.229787E-01  1.693920E-01
   11.6750  5.327797E-01  1.732234E-01
   11.7250  4.952301E-01  1.768154E-01
   11.7750  5.300041E-01  1.806924E-01
   11.8250  4.853438E-01  1.842729E-01
   11.8750  4.720692E-01  1.877851E-01
   11.9250  5.410724E-01  1.918446E-01
   11.9750  5.440995E-01  1.959610E-01
   12.0250  5.455630E-01  2.001232E-01
   12.0750  5.084427E-01  2.040344E-01
   12.1250  5.836456E-01  2.085614E-01
   12.1750  5.176219E-01  2.126095E-01
   12.2250  5.813672E-01  2.171935E-01
   12.2750  5.881161E-01  2.218687E-01
   12.3250  5.990050E-01  2.266694E-01
   12.3750  5.151393E-01  2.308315E-01
   12.4250  5.530018E-01  2.353357E-01
   12.4750  5.860755E-01  2.401478E-01
   12.5250  6.213600E-01  2.452905E-01
   12.5750  6.423979E-01  2.506500E-01
   12.6250  5.871477E-01  2.555875E-01
   12.6750  6.323014E-01  2.609469E-01
   12.7250  6.326813E-01  2.663519E-01
   12.7750  6.899826E-01  2.722929E-01
   12.8250  7.161500E-01  2.785076E-01
   12.8750  7.627525E-01  2.851783E-01
   12.9250  6.637102E-01  2.910281E-01
   12.9750  7.471891E-01  2.976647E-01
   13.0250  7.147097E-01  3.040618E-01
   13.0750  7.749958E-01  3.110518E-01
   13.1250  7.289534E-01  3.176770E-01
   13.1750  7.981400E-01  3.249863E-01
   13.2250  8.131241E-01  3.324895E-01
   13.2750  7.714431E-01  3.396620E-01
   13.3250  7.887927E-01  3.470512E-01
   13.3750  8.735203E-01  3.552956E-01
   13.4250  9.018027E-01  3.638706E-01
   13.4750  8.832195E-01  3.723317E-01
   13.5250  8.306213E-01  3.803480E-01
   13.5750  8.245139E-01  3.883643E-01
   13.6250  8.999716E-01  3.971789E-01
   13.6750  7.870725E-01  4.049444E-01
   13.7250  8.559264E-01  4.134510E-01
   13.7750  8.907296E-01  4.223682E-01
   13.8250  9.250077E-01  4.316959E-01
   13.8750  9.430520E-01  4.412744E-01
   13.9250  9.351772E-01  4.508415E-01
   13.9750  1.022564E+00  4.613779E-01

g(r)  :CT      OW      

        r      g(r)         n(r)

    2.7250  0.000000E+00  0.000000E+00
    2.7750  0.000000E+00  0.000000E+00
    2.8250  4.651422E-04  2.280606E-05
    2.8750  4.491045E-04  4.561211E-05
    2.9250  2.169410E-03  1.596424E-04
    2.9750  4.403917E-03  3.991060E-04
    3.0250  1.217011E-02  1.083288E-03
    3.0750  2.257366E-02  2.394636E-03
    3.1250  3.136019E-02  4.276136E-03
    3.1750  5.008140E-02  7.377760E-03
    3.2250  8.333986E-02  1.270297E-02
    3.2750  1.083296E-01  1.984127E-02
    3.3250  1.425346E-01  2.952244E-02
    3.3750  1.875529E-01  4.264733E-02
    3.4250  2.294263E-01  5.918172E-02
    3.4750  2.591460E-01  7.840722E-02
    3.5250  3.107004E-01  1.021255E-01
    3.5750  3.319870E-01  1.281928E-01
    3.6250  3.587689E-01  1.571565E-01
    3.6750  3.955245E-01  1.899745E-01
    3.7250  4.200245E-01  2.257800E-01
    3.7750  4.059762E-01  2.613232E-01
    3.8250  4.169987E-01  2.988050E-01
    3.8750  4.197805E-01  3.375296E-01
    3.9250  4.404788E-01  3.792191E-01
    3.9750  4.207747E-01  4.200648E-01
    4.0250  4.259671E-01  4.624612E-01
    4.0750  4.370389E-01  5.070471E-01
    4.1250  4.243267E-01  5.514049E-01
    4.1750  4.331784E-01  5.977924E-01
    4.2250  4.325525E-01  6.452290E-01
    4.2750  4.429074E-01  6.949576E-01
    4.3250  4.482054E-01  7.464651E-01
    4.3750  4.638137E-01  8.010057E-01
    4.4250  4.585101E-01  8.561622E-01
    4.4750  4.700099E-01  9.139870E-01
    4.5250  4.774477E-01  9.740467E-01
    4.5750  4.761140E-01  1.035270E+00
    4.6250  4.890433E-01  1.099537E+00
    4.6750  5.113347E-01  1.168195E+00
    4.7250  5.186110E-01  1.239327E+00
    4.7750  5.247393E-01  1.312831E+00
    4.8250  5.167905E-01  1.386745E+00
    4.8750  5.215517E-01  1.462895E+00
    4.9250  5.168314E-01  1.539911E+00
    4.9750  5.055952E-01  1.616790E+00
    5.0250  5.108732E-01  1.696041E+00
    5.0750  5.214672E-01  1.778553E+00
    5.1250  5.071726E-01  1.860393E+00
    5.1750  4.971424E-01  1.942187E+00
    5.2250  5.043982E-01  2.026786E+00
    5.2750  5.008182E-01  2.112400E+00
    5.3250  5.037635E-01  2.200157E+00
    5.3750  5.031722E-01  2.289466E+00
    5.4250  4.930570E-01  2.378615E+00
    5.4750  5.042786E-01  2.471481E+00
    5.5250  4.987194E-01  2.565009E+00
    5.5750  4.984732E-01  2.660190E+00
    5.6250  5.009140E-01  2.757560E+00
    5.6750  5.038257E-01  2.857245E+00
    5.7250  5.075224E-01  2.959439E+00
    5.7750  5.179729E-01  3.065567E+00
    5.8250  5.180902E-01  3.173565E+00
    5.8750  5.142565E-01  3.282613E+00
    5.9250  5.206294E-01  3.394898E+00
    5.9750  5.243782E-01  3.509909E+00
    6.0250  5.217445E-01  3.626266E+00
    6.0750  5.212384E-01  3.744447E+00
    6.1250  5.309207E-01  3.866813E+00
    6.1750  5.352085E-01  3.992189E+00
    6.2250  5.352671E-01  4.119618E+00
    6.2750  5.347845E-01  4.248985E+00
    6.3250  5.361060E-01  4.380747E+00
    6.3750  5.372748E-01  4.514892E+00
    6.4250  5.497180E-01  4.654306E+00
    6.4750  5.540111E-01  4.797003E+00
    6.5250  5.550569E-01  4.942187E+00
    6.5750  5.561357E-01  5.089890E+00
    6.6250  5.671837E-01  5.242827E+00
    6.6750  5.643423E-01  5.397304E+00
    6.7250  5.811810E-01  5.558783E+00
    6.7750  5.642638E-01  5.717900E+00
    6.8250  5.749140E-01  5.882423E+00
    6.8750  5.681921E-01  6.047414E+00
    6.9250  5.904387E-01  6.221367E+00
    6.9750  5.881464E-01  6.397156E+00
    7.0250  5.922907E-01  6.576731E+00
    7.0750  5.885839E-01  6.757731E+00
    7.1250  5.906626E-01  6.941947E+00
    7.1750  6.060387E-01  7.133621E+00
    7.2250  6.067467E-01  7.328202E+00
    7.2750  6.090264E-01  7.526227E+00
    7.3250  6.229491E-01  7.731573E+00
    7.3750  6.129271E-01  7.936383E+00
    7.4250  6.265838E-01  8.148604E+00
    7.4750  6.301549E-01  8.364920E+00
    7.5250  6.373129E-01  8.586629E+00
    7.5750  6.468477E-01  8.814655E+00
    7.6250  6.506193E-01  9.047049E+00
    7.6750  6.511816E-01  9.282704E+00
    7.7250  6.581133E-01  9.523981E+00
    7.7750  6.696954E-01  9.772692E+00
    7.8250  6.740172E-01  1.002624E+01
    7.8750  6.794028E-01  1.028509E+01
    7.9250  6.839194E-01  1.054898E+01
    7.9750  6.807695E-01  1.081497E+01
    8.0250  6.905855E-01  1.108820E+01
    8.0750  6.983421E-01  1.136795E+01
    8.1250  7.025383E-01  1.165288E+01
    8.1750  7.119402E-01  1.194519E+01
    8.2250  7.252875E-01  1.224662E+01
    8.2750  7.167389E-01  1.254814E+01
    8.3250  7.273577E-01  1.285784E+01
    8.3750  7.246793E-01  1.317011E+01
    8.4250  7.353755E-01  1.349079E+01
    8.4750  7.398001E-01  1.381723E+01
    8.5250  7.474673E-01  1.415096E+01
    8.5750  7.457177E-01  1.448783E+01
    8.6250  7.642183E-01  1.483710E+01
    8.6750  7.547683E-01  1.518605E+01
    8.7250  7.679401E-01  1.554520E+01
    8.7750  7.590931E-01  1.590429E+01
    8.8250  7.650062E-01  1.627032E+01
    8.8750  7.725762E-01  1.664417E+01
    8.9250  7.709580E-01  1.702145E+01
    8.9750  7.744202E-01  1.740468E+01
    9.0250  7.756392E-01  1.779281E+01
    9.0750  7.817653E-01  1.818834E+01
    9.1250  7.915673E-01  1.859327E+01
    9.1750  7.984860E-01  1.900621E+01
    9.2250  8.001703E-01  1.942456E+01
    9.2750  8.074680E-01  1.985130E+01
    9.3250  8.009453E-01  2.027918E+01
    9.3750  7.927203E-01  2.070722E+01
    9.4250  7.951554E-01  2.114116E+01
    9.4750  8.103962E-01  2.158812E+01
    9.5250  8.082526E-01  2.203862E+01
    9.5750  8.098143E-01  2.249474E+01
    9.6250  8.101180E-01  2.295581E+01
    9.6750  8.163010E-01  2.342524E+01
    9.7250  8.150332E-01  2.389880E+01
    9.7750  8.196540E-01  2.437995E+01
    9.8250  8.274074E-01  2.487063E+01
    9.8750  8.302608E-01  2.536803E+01
    9.9250  8.343904E-01  2.587298E+01
    9.9750  8.280426E-01  2.637915E+01
   10.0250  8.322882E-01  2.689303E+01
   10.0750  8.302467E-01  2.741077E+01
   10.1250  8.293273E-01  2.793309E+01
   10.1750  8.397882E-01  2.846723E+01
   10.2250  8.417322E-01  2.900788E+01
   10.2750  8.458667E-01  2.955651E+01
   10.3250  8.487676E-01  3.011240E+01
   10.3750  8.700756E-01  3.068777E+01
   10.4250  8.663096E-01  3.126619E+01
   10.4750  8.640473E-01  3.184865E+01
   10.5250  8.624088E-01  3.243556E+01
   10.5750  8.670696E-01  3.303127E+01
   10.6250  8.666064E-01  3.363230E+01
   10.6750  8.736877E-01  3.424396E+01
   10.7250  8.778403E-01  3.486429E+01
   10.7750  8.826138E-01  3.549383E+01
   10.8250  8.834920E-01  3.612986E+01
   10.8750  8.826374E-01  3.677115E+01
   10.9250  8.808284E-01  3.741703E+01
   10.9750  8.971066E-01  3.808088E+01
   11.0250  8.910800E-01  3.874629E+01
   11.0750  8.960967E-01  3.942154E+01
   11.1250  8.967433E-01  4.010338E+01
   11.1750  8.995273E-01  4.079350E+01
   11.2250  9.006205E-01  4.149066E+01
   11.2750  8.999654E-01  4.219353E+01
   11.3250  9.105603E-01  4.291100E+01
   11.3750  9.148380E-01  4.363822E+01
   11.4250  9.215513E-01  4.437722E+01
   11.4750  9.279864E-01  4.512792E+01
   11.5250  9.333251E-01  4.588953E+01
   11.5750  9.284101E-01  4.665371E+01
   11.6250  9.346838E-01  4.742972E+01
   11.6750  9.423277E-01  4.821882E+01
   11.7250  9.376158E-01  4.901072E+01
   11.7750  9.417985E-01  4.981294E+01
   11.8250  9.471514E-01  5.062660E+01
   11.8750  9.533155E-01  5.145248E+01
   11.9250  9.525820E-01  5.228470E+01
   11.9750  9.508697E-01  5.312240E+01
   12.0250  9.519640E-01  5.396808E+01
   12.0750  9.544079E-01  5.482300E+01
   12.1250  9.604152E-01  5.569044E+01
   12.1750  9.640756E-01  5.656838E+01
   12.2250  9.613846E-01  5.745108E+01
   12.2750  9.624871E-01  5.834203E+01
   12.3250  9.699306E-01  5.924721E+01
   12.3750  9.719140E-01  6.016160E+01
   12.4250  9.696861E-01  6.108129E+01
   12.4750  9.670333E-01  6.200586E+01
   12.5250  9.750523E-01  6.294558E+01
   12.5750  9.756007E-01  6.389336E+01
   12.6250  9.740371E-01  6.484715E+01
   12.6750  9.755178E-01  6.580998E+01
   12.7250  9.825734E-01  6.678744E+01
   12.7750  9.886131E-01  6.777864E+01
   12.8250  9.892252E-01  6.877825E+01
   12.8750  9.920933E-01  6.978858E+01
   12.9250  9.901878E-01  7.080481E+01
   12.9750  9.953272E-01  7.183425E+01
   13.0250  9.977548E-01  7.287416E+01
   13.0750  9.957842E-01  7.392000E+01
   13.1250  1.005548E+00  7.498418E+01
   13.1750  1.006004E+00  7.605698E+01
   13.2250  1.004948E+00  7.713680E+01
   13.2750  1.006914E+00  7.822693E+01
   13.3250  1.008853E+00  7.932740E+01
   13.3750  1.009189E+00  8.043652E+01
   13.4250  1.014250E+00  8.155955E+01
   13.4750  1.012247E+00  8.268872E+01
   13.5250  1.009931E+00  8.382369E+01
   13.5750  1.012668E+00  8.497016E+01
   13.6250  1.022116E+00  8.613587E+01
   13.6750  1.017673E+00  8.730504E+01
   13.7250  1.020795E+00  8.848640E+01
   13.7750  1.032013E+00  8.968945E+01
   13.8250  1.023153E+00  9.089085E+01
   13.8750  1.028606E+00  9.210741E+01
   13.9250  1.033016E+00  9.333800E+01
   13.9750  1.040777E+00  9.458675E+01

g(r)  :CT      HW      

        r      g(r)         n(r)

    2.0250  0.000000E+00  0.000000E+00
    2.0750  0.000000E+00  0.000000E+00
    2.1250  2.055115E-04  1.140303E-05
    2.1750  1.961717E-04  2.280606E-05
    2.2250  1.312181E-03  1.026273E-04
    2.2750  2.868889E-03  2.850757E-04
    2.3250  3.605211E-03  5.245393E-04
    2.3750  3.784065E-03  7.868090E-04
    2.4250  6.785840E-03  1.277139E-03
    2.4750  7.877931E-03  1.870097E-03
    2.5250  1.149911E-02  2.770936E-03
    2.5750  1.623543E-02  4.093687E-03
    2.6250  2.020196E-02  5.804142E-03
    2.6750  2.490090E-02  7.993523E-03
    2.7250  2.849467E-02  1.059341E-02
    2.7750  3.374383E-02  1.378626E-02
    2.8250  4.895622E-02  1.858694E-02
    2.8750  6.309918E-02  2.499544E-02
    2.9250  7.300066E-02  3.266968E-02
    2.9750  8.986089E-02  4.244207E-02
    3.0250  1.015190E-01  5.385650E-02
    3.0750  1.173831E-01  6.749453E-02
    3.1250  1.355140E-01  8.375525E-02
    3.1750  1.633169E-01  1.039842E-01
    3.2250  1.760488E-01  1.264824E-01
    3.2750  1.887116E-01  1.513524E-01
    3.3250  2.195939E-01  1.811827E-01
    3.3750  2.339931E-01  2.139322E-01
    3.4250  2.506284E-01  2.500570E-01
    3.4750  2.757461E-01  2.909711E-01
    3.5250  2.931488E-01  3.357280E-01
    3.5750  2.969149E-01  3.823550E-01
    3.6250  3.190077E-01  4.338624E-01
    3.6750  3.321691E-01  4.889847E-01
    3.7250  3.474566E-01  5.482234E-01
    3.7750  3.545942E-01  6.103129E-01
    3.8250  3.801450E-01  6.786512E-01
    3.8750  3.793599E-01  7.486430E-01
    3.9250  3.889129E-01  8.222610E-01
    3.9750  3.960474E-01  8.991516E-01
    4.0250  4.096410E-01  9.806947E-01
    4.0750  4.230671E-01  1.067016E+00
    4.1250  4.277083E-01  1.156438E+00
    4.1750  4.356276E-01  1.249738E+00
    4.2250  4.485133E-01  1.348112E+00
    4.2750  4.559580E-01  1.450499E+00
    4.3250  4.598645E-01  1.556194E+00
    4.3750  4.665774E-01  1.665925E+00
    4.4250  4.602164E-01  1.776649E+00
    4.4750  4.738564E-01  1.893245E+00
    4.5250  4.790793E-01  2.013775E+00
    4.5750  4.717244E-01  2.135092E+00
    4.6250  4.817111E-01  2.261700E+00
    4.6750  4.820780E-01  2.391158E+00
    4.7250  4.853145E-01  2.524288E+00
    4.7750  4.774021E-01  2.658035E+00
    4.8250  4.873712E-01  2.797448E+00
    4.8750  4.786748E-01  2.937226E+00
    4.9250  4.801772E-01  3.080334E+00
    4.9750  4.926216E-01  3.230147E+00
    5.0250  4.962453E-01  3.384111E+00
    5.0750  4.963163E-01  3.541176E+00
    5.1250  4.962900E-01  3.701343E+00
    5.1750  4.965533E-01  3.864737E+00
    5.2250  5.036163E-01  4.033673E+00
    5.2750  5.011517E-01  4.205015E+00
    5.3250  5.090983E-01  4.382389E+00
    5.3750  5.090828E-01  4.563104E+00
    5.4250  5.120401E-01  4.748267E+00
    5.4750  5.173128E-01  4.938800E+00
    5.5250  5.168088E-01  5.132640E+00
    5.5750  5.187776E-01  5.330756E+00
    5.6250  5.173100E-01  5.531871E+00
    5.6750  5.274551E-01  5.740593E+00
    5.7250  5.223879E-01  5.950967E+00
    5.7750  5.218687E-01  6.164819E+00
    5.8250  5.167226E-01  6.380245E+00
    5.8750  5.258452E-01  6.603254E+00
    5.9250  5.367553E-01  6.834782E+00
    5.9750  5.249241E-01  7.065043E+00
    6.0250  5.211821E-01  7.297505E+00
    6.0750  5.328058E-01  7.539112E+00
    6.1250  5.315144E-01  7.784118E+00
    6.1750  5.314360E-01  8.033103E+00
    6.2250  5.286810E-01  8.284825E+00
    6.2750  5.319326E-01  8.542180E+00
    6.3250  5.307472E-01  8.803070E+00
    6.3750  5.380283E-01  9.071736E+00
    6.4250  5.439403E-01  9.347633E+00
    6.4750  5.444706E-01  9.628113E+00
    6.5250  5.446158E-01  9.913018E+00
    6.5750  5.524004E-01  1.020644E+01
    6.6250  5.499508E-01  1.050302E+01
    6.6750  5.591350E-01  1.080912E+01
    6.7250  5.652776E-01  1.112324E+01
    6.7750  5.622217E-01  1.144033E+01
    6.8250  5.744757E-01  1.176912E+01
    6.8750  5.768904E-01  1.210416E+01
    6.9250  5.850007E-01  1.244886E+01
    6.9750  5.898442E-01  1.280145E+01
    7.0250  6.004146E-01  1.316553E+01
    7.0750  5.979282E-01  1.353327E+01
    7.1250  6.078103E-01  1.391240E+01
    7.1750  6.070482E-01  1.429639E+01
    7.2250  6.127559E-01  1.468940E+01
    7.2750  6.171276E-01  1.509072E+01
    7.3250  6.283110E-01  1.550495E+01
    7.3750  6.259289E-01  1.592326E+01
    7.4250  6.310448E-01  1.635072E+01
    7.4750  6.392402E-01  1.678959E+01
    7.5250  6.400007E-01  1.723488E+01
    7.5750  6.443246E-01  1.768915E+01
    7.6250  6.428777E-01  1.814841E+01
    7.6750  6.526311E-01  1.862077E+01
    7.7250  6.640696E-01  1.910769E+01
    7.7750  6.692502E-01  1.960478E+01
    7.8250  6.766848E-01  2.011388E+01
    7.8750  6.772329E-01  2.062993E+01
    7.9250  6.835943E-01  2.115745E+01
    7.9750  6.870003E-01  2.169432E+01
    8.0250  6.959751E-01  2.224504E+01
    8.0750  7.017580E-01  2.280728E+01
    8.1250  7.020041E-01  2.337670E+01
    8.1750  7.104960E-01  2.396012E+01
    8.2250  7.118847E-01  2.455186E+01
    8.2750  7.241254E-01  2.516111E+01
    8.3250  7.268756E-01  2.578009E+01
    8.3750  7.226946E-01  2.640293E+01
    8.4250  7.280144E-01  2.703786E+01
    8.4750  7.349547E-01  2.768647E+01
    8.5250  7.352466E-01  2.834303E+01
    8.5750  7.346109E-01  2.900673E+01
    8.6250  7.468775E-01  2.968940E+01
    8.6750  7.434475E-01  3.037685E+01
    8.7250  7.547128E-01  3.108277E+01
    8.7750  7.568996E-01  3.179888E+01
    8.8250  7.598345E-01  3.252599E+01
    8.8750  7.731654E-01  3.327425E+01
    8.9250  7.675326E-01  3.402546E+01
    8.9750  7.691549E-01  3.478672E+01
    9.0250  7.714690E-01  3.555879E+01
    9.0750  7.838726E-01  3.635200E+01
    9.1250  7.783820E-01  3.714835E+01
    9.1750  7.801742E-01  3.795531E+01
    9.2250  7.881417E-01  3.877942E+01
    9.2750  7.859674E-01  3.961019E+01
    9.3250  7.915213E-01  4.045587E+01
    9.3750  7.965745E-01  4.131610E+01
    9.4250  8.019671E-01  4.219142E+01
    9.4750  8.001621E-01  4.307406E+01
    9.5250  7.998544E-01  4.396570E+01
    9.5750  8.106950E-01  4.487893E+01
    9.6250  8.105989E-01  4.580162E+01
    9.6750  8.128111E-01  4.673646E+01
    9.7250  8.162206E-01  4.768496E+01
    9.7750  8.160311E-01  4.864301E+01
    9.8250  8.192739E-01  4.961473E+01
    9.8750  8.262732E-01  5.060475E+01
    9.9250  8.239516E-01  5.160201E+01
    9.9750  8.289193E-01  5.261542E+01
   10.0250  8.349108E-01  5.364641E+01
   10.0750  8.350650E-01  5.468791E+01
   10.1250  8.376197E-01  5.574299E+01
   10.1750  8.458389E-01  5.681897E+01
   10.2250  8.431525E-01  5.790209E+01
   10.2750  8.438010E-01  5.899668E+01
   10.3250  8.485673E-01  6.010819E+01
   10.3750  8.432447E-01  6.122345E+01
   10.4250  8.503070E-01  6.235892E+01
   10.4750  8.566720E-01  6.351389E+01
   10.5250  8.586136E-01  6.468255E+01
   10.5750  8.628372E-01  6.586815E+01
   10.6250  8.668119E-01  6.707049E+01
   10.6750  8.648434E-01  6.828143E+01
   10.7250  8.704417E-01  6.951164E+01
   10.7750  8.717985E-01  7.075529E+01
   10.8250  8.764908E-01  7.201726E+01
   10.8750  8.778820E-01  7.329294E+01
   10.9250  8.881063E-01  7.459537E+01
   10.9750  8.927610E-01  7.591664E+01
   11.0250  8.919352E-01  7.724875E+01
   11.0750  8.930172E-01  7.859459E+01
   11.1250  8.969532E-01  7.995860E+01
   11.1750  9.016453E-01  8.134209E+01
   11.2250  9.021673E-01  8.273880E+01
   11.2750  9.031118E-01  8.414946E+01
   11.3250  9.103939E-01  8.558413E+01
   11.3750  9.105847E-01  8.703180E+01
   11.4250  9.120099E-01  8.849452E+01
   11.4750  9.166038E-01  8.997749E+01
   11.5250  9.220061E-01  9.148223E+01
   11.5750  9.218712E-01  9.299984E+01
   11.6250  9.285032E-01  9.454160E+01
   11.6750  9.317403E-01  9.610207E+01
   11.7250  9.335114E-01  9.767892E+01
   11.7750  9.362697E-01  9.927396E+01
   11.8250  9.358022E-01  1.008818E+02
   11.8750  9.382050E-01  1.025074E+02
   11.9250  9.452923E-01  1.041590E+02
   11.9750  9.464366E-01  1.058266E+02
   12.0250  9.448014E-01  1.075053E+02
   12.0750  9.490422E-01  1.092055E+02
   12.1250  9.527707E-01  1.109266E+02
   12.1750  9.534509E-01  1.126631E+02
   12.2250  9.606208E-01  1.144271E+02
   12.2750  9.609103E-01  1.162061E+02
   12.3250  9.657579E-01  1.180086E+02
   12.3750  9.641327E-01  1.198228E+02
   12.4250  9.673597E-01  1.216578E+02
   12.4750  9.690609E-01  1.235108E+02
   12.5250  9.695742E-01  1.253797E+02
   12.5750  9.724432E-01  1.272691E+02
   12.6250  9.785495E-01  1.291855E+02
   12.6750  9.750036E-01  1.311101E+02
   12.7250  9.781316E-01  1.330562E+02
   12.7750  9.828640E-01  1.350271E+02
   12.8250  9.848241E-01  1.370174E+02
   12.8750  9.868531E-01  1.390274E+02
   12.9250  9.893711E-01  1.410582E+02
   12.9750  9.896272E-01  1.431053E+02
   13.0250  9.963434E-01  1.451822E+02
   13.0750  9.998991E-01  1.472825E+02
   13.1250  9.988948E-01  1.493968E+02
   13.1750  1.002876E+00  1.515357E+02
   13.2250  1.003075E+00  1.536913E+02
   13.2750  1.006730E+00  1.558712E+02
   13.3250  1.010776E+00  1.580763E+02
   13.3750  1.011990E+00  1.603007E+02
   13.4250  1.011191E+00  1.625400E+02
   13.4750  1.012431E+00  1.647987E+02
   13.5250  1.016293E+00  1.670830E+02
   13.5750  1.018374E+00  1.693888E+02
   13.6250  1.021632E+00  1.717191E+02
   13.6750  1.026333E+00  1.740774E+02
   13.7250  1.027372E+00  1.764553E+02
   13.7750  1.031597E+00  1.788605E+02
   13.8250  1.028660E+00  1.812762E+02
   13.8750  1.032540E+00  1.837186E+02
   13.9250  1.029206E+00  1.861707E+02
   13.9750  1.034371E+00  1.886529E+02

g(r)  :C       C       

        r      g(r)         n(r)

    2.6750  0.000000E+00  0.000000E+00
    2.7250  0.000000E+00  0.000000E+00
    2.7750  5.525552E-02  7.982120E-05
    2.8250  1.013022E+00  1.596424E-03
    2.8750  4.530117E+00  8.620690E-03
    2.9250  1.412438E+01  3.128991E-02
    2.9750  3.187445E+01  8.421137E-02
    3.0250  4.794148E+01  1.665070E-01
    3.0750  6.003015E+01  2.729885E-01
    3.1250  5.673030E+01  3.769157E-01
    3.1750  5.398679E+01  4.790070E-01
    3.2250  4.856193E+01  5.737548E-01
    3.2750  3.975118E+01  6.537356E-01
    3.3250  3.379220E+01  7.238186E-01
    3.3750  2.521516E+01  7.776980E-01
    3.4250  2.724109E+01  8.376437E-01
    3.4750  3.365113E+01  9.138729E-01
    3.5250  4.355871E+01  1.015405E+00
    3.5750  5.486702E+01  1.146951E+00
    3.6250  6.285155E+01  1.301884E+00
    3.6750  5.485178E+01  1.440852E+00
    3.7250  2.940850E+01  1.517401E+00
    3.7750  9.196527E+00  1.541986E+00
    3.8250  6.892752E+00  1.560904E+00
    3.8750  7.452804E+00  1.581897E+00
    3.9250  9.225176E+00  1.608557E+00
    3.9750  9.344646E+00  1.636255E+00
    4.0250  1.087368E+01  1.669301E+00
    4.0750  1.296592E+01  1.709690E+00
    4.1250  1.297859E+01  1.751117E+00
    4.1750  1.515957E+01  1.800686E+00
    4.2250  1.399242E+01  1.847542E+00
    4.2750  1.511057E+01  1.899345E+00
    4.3250  1.514993E+01  1.952506E+00
    4.3750  1.558370E+01  2.008461E+00
    4.4250  1.579853E+01  2.066491E+00
    4.4750  1.684985E+01  2.129789E+00
    4.5250  1.783032E+01  2.198276E+00
    4.5750  1.835755E+01  2.270354E+00
    4.6250  1.961384E+01  2.349058E+00
    4.6750  2.052044E+01  2.433190E+00
    4.7250  1.987879E+01  2.516443E+00
    4.7750  1.888614E+01  2.597222E+00
    4.8250  1.597446E+01  2.666986E+00
    4.8750  1.568427E+01  2.736909E+00
    4.9250  1.508675E+01  2.805556E+00
    4.9750  1.538674E+01  2.876996E+00
    5.0250  1.477873E+01  2.946999E+00
    5.0750  1.463765E+01  3.017720E+00
    5.1250  1.451544E+01  3.089240E+00
    5.1750  1.558685E+01  3.167545E+00
    5.2250  1.435480E+01  3.241060E+00
    5.2750  1.362520E+01  3.312181E+00
    5.3250  1.431592E+01  3.388330E+00
    5.3750  1.371207E+01  3.462644E+00
    5.4250  1.422676E+01  3.541188E+00
    5.4750  1.508952E+01  3.626038E+00
    5.5250  1.597462E+01  3.717513E+00
    5.5750  1.534710E+01  3.806992E+00
    5.6250  1.441651E+01  3.892561E+00
    5.6750  1.474494E+01  3.981641E+00
    5.7250  1.316429E+01  4.062580E+00
    5.7750  1.261836E+01  4.141523E+00
    5.8250  1.221456E+01  4.219269E+00
    5.8750  1.201987E+01  4.297095E+00
    5.9250  1.191482E+01  4.375559E+00
    5.9750  1.189503E+01  4.455220E+00
    6.0250  1.194458E+01  4.536558E+00
    6.0750  1.038827E+01  4.608477E+00
    6.1250  1.094526E+01  4.685504E+00
    6.1750  1.139365E+01  4.767002E+00
    6.2250  1.217766E+01  4.855524E+00
    6.2750  1.369179E+01  4.956657E+00
    6.3250  1.436962E+01  5.064496E+00
    6.3750  1.508741E+01  5.179518E+00
    6.4250  1.391550E+01  5.287277E+00
    6.4750  1.316351E+01  5.390805E+00
    6.5250  1.164330E+01  5.483796E+00
    6.5750  1.136846E+01  5.575990E+00
    6.6250  1.071277E+01  5.664192E+00
    6.6750  1.005628E+01  5.748244E+00
    6.7250  8.740625E+00  5.822398E+00
    6.7750  9.650360E+00  5.905492E+00
    6.8250  8.568582E+00  5.980364E+00
    6.8750  8.543430E+00  6.056114E+00
    6.9250  8.163187E+00  6.129550E+00
    6.9750  8.728782E+00  6.209211E+00
    7.0250  8.820527E+00  6.290868E+00
    7.0750  8.390268E+00  6.369652E+00
    7.1250  8.624963E+00  6.451788E+00
    7.1750  8.091900E+00  6.529933E+00
    7.2250  8.102561E+00  6.609275E+00
    7.2750  8.385520E+00  6.692529E+00
    7.3250  7.636999E+00  6.769397E+00
    7.3750  7.729379E+00  6.848260E+00
    7.4250  7.540730E+00  6.926245E+00
    7.4750  6.876653E+00  6.998324E+00
    7.5250  7.326615E+00  7.076149E+00
    7.5750  6.829771E+00  7.149665E+00
    7.6250  6.535572E+00  7.220945E+00
    7.6750  6.624062E+00  7.294141E+00
    7.7250  7.244503E+00  7.375239E+00
    7.7750  6.750403E+00  7.451788E+00
    7.8250  7.032726E+00  7.532567E+00
    7.8750  6.264430E+00  7.605444E+00
    7.9250  6.023032E+00  7.676405E+00
    7.9750  5.700201E+00  7.744413E+00
    8.0250  5.431174E+00  7.810026E+00
    8.0750  5.520740E+00  7.877554E+00
    8.1250  5.594805E+00  7.946839E+00
    8.1750  5.252795E+00  8.012692E+00
    8.2250  4.830604E+00  8.073994E+00
    8.2750  4.716478E+00  8.134579E+00
    8.3250  4.623156E+00  8.194684E+00
    8.3750  4.422522E+00  8.252874E+00
    8.4250  4.298248E+00  8.310105E+00
    8.4750  3.933696E+00  8.363107E+00
    8.5250  4.303390E+00  8.421775E+00
    8.5750  3.778827E+00  8.473898E+00
    8.6250  3.872421E+00  8.527937E+00
    8.6750  3.884454E+00  8.582775E+00
    8.7250  4.080413E+00  8.641044E+00
    8.7750  3.691428E+00  8.694365E+00
    8.8250  4.048564E+00  8.753512E+00
    8.8750  3.770778E+00  8.809227E+00
    8.9250  3.653860E+00  8.863825E+00
    8.9750  3.507611E+00  8.916826E+00
    9.0250  3.494974E+00  8.970227E+00
    9.0750  3.420401E+00  9.023068E+00
    9.1250  3.556770E+00  9.078624E+00
    9.1750  3.442288E+00  9.132982E+00
    9.2250  3.385074E+00  9.187021E+00
    9.2750  3.378354E+00  9.241539E+00
    9.3250  3.136698E+00  9.292704E+00
    9.3750  3.263095E+00  9.346504E+00
    9.4250  3.084860E+00  9.397909E+00
    9.4750  3.132964E+00  9.450670E+00
    9.5250  2.884414E+00  9.499761E+00
    9.5750  2.761543E+00  9.547254E+00
    9.6250  2.530827E+00  9.591236E+00
    9.6750  2.331996E+00  9.632184E+00
    9.7250  2.173103E+00  9.670738E+00
    9.7750  2.239994E+00  9.710888E+00
    9.8250  1.970402E+00  9.746568E+00
    9.8750  2.033406E+00  9.783764E+00
    9.9250  1.904978E+00  9.818966E+00
    9.9750  1.821781E+00  9.852969E+00
   10.0250  1.600426E+00  9.883142E+00
   10.0750  1.463012E+00  9.910999E+00
   10.1250  1.452749E+00  9.938937E+00
   10.1750  1.368636E+00  9.965517E+00
   10.2250  1.302374E+00  9.991060E+00
   10.2750  9.874496E-01  1.001062E+01
   10.3250  1.073704E+00  1.003209E+01
   10.3750  1.023849E+00  1.005276E+01
   10.4250  1.068866E+00  1.007455E+01
   10.4750  1.167269E+00  1.009858E+01
   10.5250  1.083222E+00  1.012109E+01
   10.5750  1.092028E+00  1.014400E+01
   10.6250  1.100620E+00  1.016731E+01
   10.6750  1.034324E+00  1.018942E+01
   10.7250  1.035800E+00  1.021177E+01
   10.7750  8.539530E-01  1.023036E+01
   10.8250  8.134012E-01  1.024824E+01
   10.8750  8.419183E-01  1.026692E+01
   10.9250  7.415374E-01  1.028352E+01
   10.9750  5.722932E-01  1.029646E+01
   11.0250  6.126233E-01  1.031042E+01
   11.0750  5.724125E-01  1.032360E+01
   11.1250  4.916416E-01  1.033501E+01
   11.1750  5.860653E-01  1.034874E+01
   11.2250  5.943642E-01  1.036279E+01
   11.2750  4.451754E-01  1.037340E+01
   11.3250  4.545240E-01  1.038434E+01
   11.3750  3.979195E-01  1.039400E+01
   11.4250  3.683653E-01  1.040302E+01
   11.4750  3.780882E-01  1.041236E+01
   11.5250  2.883190E-01  1.041954E+01
   11.5750  2.636021E-01  1.042617E+01
   11.6250  2.141094E-01  1.043159E+01
   11.6750  1.748183E-01  1.043606E+01
   11.7250  1.269027E-01  1.043934E+01
   11.7750  9.206873E-02  1.044173E+01
   11.8250  1.004210E-01  1.044436E+01
   11.8750  7.543719E-02  1.044636E+01
   11.9250  1.137050E-01  1.044939E+01
   11.9750  1.216594E-01  1.045267E+01
   12.0250  9.122298E-02  1.045514E+01
   12.0750  9.922415E-02  1.045785E+01
   12.1250  8.104147E-02  1.046009E+01
   12.1750  7.463597E-02  1.046216E+01
   12.2250  9.680414E-02  1.046488E+01
   12.2750  8.189696E-02  1.046719E+01
   12.3250  7.563150E-02  1.046935E+01
   12.3750  7.780014E-02  1.047158E+01
   12.4250  8.544402E-02  1.047406E+01
   12.4750  7.382364E-02  1.047621E+01
   12.5250  8.137267E-02  1.047861E+01
   12.5750  6.996328E-02  1.048068E+01
   12.6250  5.339247E-02  1.048228E+01
   12.6750  7.680949E-02  1.048459E+01
   12.7250  5.255660E-02  1.048619E+01
   12.7750  3.650220E-02  1.048731E+01
   12.8250  2.845711E-02  1.048819E+01
   12.8750  4.107129E-02  1.048946E+01
   12.9250  4.330127E-02  1.049082E+01
   12.9750  5.813343E-02  1.049266E+01
   13.0250  3.762259E-02  1.049385E+01
   13.0750  4.729150E-02  1.049537E+01
   13.1250  2.717108E-02  1.049625E+01
   13.1750  2.696524E-02  1.049713E+01
   13.2250  1.703019E-02  1.049769E+01
   13.2750  1.207296E-02  1.049808E+01
   13.3250  2.396505E-02  1.049888E+01
   13.3750  1.665035E-02  1.049944E+01
   13.4250  4.721873E-03  1.049960E+01
   13.4750  7.030344E-03  1.049984E+01
   13.5250  2.326153E-03  1.049992E+01
   13.5750  2.309049E-03  1.050000E+01
   13.6250  0.000000E+00  1.050000E+01
   13.6750  0.000000E+00  1.050000E+01
   13.7250  0.000000E+00  1.050000E+01
   13.7750  0.000000E+00  1.050000E+01
   13.8250  0.000000E+00  1.050000E+01
   13.8750  0.000000E+00  1.050000E+01
   13.9250  0.000000E+00  1.050000E+01
   13.9750  0.000000E+00  1.050000E+01

g(r)  :C       H       

        r      g(r)         n(r)

    1.9750  0.000000E+00  0.000000E+00
    2.0250  0.000000E+00  0.000000E+00
    2.0750  9.882257E-02  3.991060E-05
    2.1250  2.072994E+00  9.179438E-04
    2.1750  2.428508E+00  1.995530E-03
    2.2250  4.984976E+00  4.310345E-03
    2.2750  6.987986E+00  7.702746E-03
    2.3250  1.109864E+01  1.333014E-02
    2.3750  1.765168E+01  2.266922E-02
    2.4250  1.830607E+01  3.276660E-02
    2.4750  2.229735E+01  4.557791E-02
    2.5250  2.342521E+01  5.958653E-02
    2.5750  2.752977E+01  7.670817E-02
    2.6250  2.951682E+01  9.578544E-02
    2.6750  3.193210E+01  1.172174E-01
    2.7250  3.266202E+01  1.399665E-01
    2.7750  3.166141E+01  1.628352E-01
    2.8250  3.076387E+01  1.858637E-01
    2.8750  2.990907E+01  2.090517E-01
    2.9250  2.819903E+01  2.316810E-01
    2.9750  2.942257E+01  2.561063E-01
    3.0250  2.882999E+01  2.808509E-01
    3.0750  2.803507E+01  3.057152E-01
    3.1250  2.814729E+01  3.314974E-01
    3.1750  2.811196E+01  3.580779E-01
    3.2250  2.781981E+01  3.852171E-01
    3.2750  2.435851E+01  4.097222E-01
    3.3250  2.166857E+01  4.321919E-01
    3.3750  2.166636E+01  4.553400E-01
    3.4250  1.951492E+01  4.768119E-01
    3.4750  1.518705E+01  4.940134E-01
    3.5250  1.660847E+01  5.133701E-01
    3.5750  1.451579E+01  5.307711E-01
    3.6250  1.282288E+01  5.465757E-01
    3.6750  1.398862E+01  5.642960E-01
    3.7250  1.502624E+01  5.838522E-01
    3.7750  1.182411E+01  5.996568E-01
    3.8250  1.282575E+01  6.172573E-01
    3.8750  1.136340E+01  6.332615E-01
    3.9250  1.361680E+01  6.529374E-01
    3.9750  1.295324E+01  6.721344E-01
    4.0250  1.384161E+01  6.931673E-01
    4.0750  1.437526E+01  7.155572E-01
    4.1250  1.417892E+01  7.381865E-01
    4.1750  1.386576E+01  7.608557E-01
    4.2250  1.415928E+01  7.845626E-01
    4.2750  1.408613E+01  8.087085E-01
    4.3250  1.512718E+01  8.352490E-01
    4.3750  1.440547E+01  8.611111E-01
    4.4250  1.484236E+01  8.883701E-01
    4.4750  1.470378E+01  9.159882E-01
    4.5250  1.404813E+01  9.429678E-01
    4.5750  1.455593E+01  9.715437E-01
    4.6250  1.481979E+01  1.001277E+00
    4.6750  1.528325E+01  1.032607E+00
    4.7250  1.461844E+01  1.063218E+00
    4.7750  1.597484E+01  1.097382E+00
    4.8250  1.553581E+01  1.131306E+00
    4.8750  1.410869E+01  1.162755E+00
    4.9250  1.370087E+01  1.193926E+00
    4.9750  1.273919E+01  1.223499E+00
    5.0250  1.225101E+01  1.252514E+00
    5.0750  1.176299E+01  1.280931E+00
    5.1250  1.177759E+01  1.309946E+00
    5.1750  1.166233E+01  1.339240E+00
    5.2250  1.134668E+01  1.368295E+00
    5.2750  1.206541E+01  1.399784E+00
    5.3250  1.188492E+01  1.431394E+00
    5.3750  1.210668E+01  1.464200E+00
    5.4250  1.221708E+01  1.497925E+00
    5.4750  1.269053E+01  1.533605E+00
    5.5250  1.331218E+01  1.571719E+00
    5.5750  1.337566E+01  1.610712E+00
    5.6250  1.394583E+01  1.652099E+00
    5.6750  1.489028E+01  1.697079E+00
    5.7250  1.454044E+01  1.741778E+00
    5.7750  1.393251E+01  1.785361E+00
    5.8250  1.432138E+01  1.830939E+00
    5.8750  1.418961E+01  1.876876E+00
    5.9250  1.430264E+01  1.923970E+00
    5.9750  1.443375E+01  1.972302E+00
    6.0250  1.408968E+01  2.020275E+00
    6.0750  1.339752E+01  2.066651E+00
    6.1250  1.328176E+01  2.113386E+00
    6.1750  1.332421E+01  2.161039E+00
    6.2250  1.198001E+01  2.204582E+00
    6.2750  1.302179E+01  2.252674E+00
    6.3250  1.268909E+01  2.300287E+00
    6.3750  1.182074E+01  2.345346E+00
    6.4250  1.140040E+01  2.389488E+00
    6.4750  1.075815E+01  2.431793E+00
    6.5250  1.042400E+01  2.473420E+00
    6.5750  9.832982E+00  2.513290E+00
    6.6250  9.917796E+00  2.554119E+00
    6.6750  9.636070E+00  2.594389E+00
    6.7250  9.596812E+00  2.635097E+00
    6.7750  9.205387E+00  2.674729E+00
    6.8250  9.253703E+00  2.715158E+00
    6.8750  8.795502E+00  2.754151E+00
    6.9250  9.414284E+00  2.796496E+00
    6.9750  8.396423E+00  2.834810E+00
    7.0250  8.070394E+00  2.872166E+00
    7.0750  8.135245E+00  2.910361E+00
    7.1250  8.071758E+00  2.948795E+00
    7.1750  7.885263E+00  2.986869E+00
    7.2250  7.792805E+00  3.025024E+00
    7.2750  7.187588E+00  3.060704E+00
    7.3250  7.391156E+00  3.097901E+00
    7.3750  7.768495E+00  3.137532E+00
    7.4250  6.676286E+00  3.172055E+00
    7.4750  6.869038E+00  3.208054E+00
    7.5250  6.928348E+00  3.244852E+00
    7.5750  6.777862E+00  3.281330E+00
    7.6250  6.659989E+00  3.317648E+00
    7.6750  6.956349E+00  3.356082E+00
    7.7250  5.939637E+00  3.389328E+00
    7.7750  6.313985E+00  3.425128E+00
    7.8250  5.628961E+00  3.457455E+00
    7.8750  6.175232E+00  3.493375E+00
    7.9250  6.117883E+00  3.529414E+00
    7.9750  6.094933E+00  3.565773E+00
    8.0250  5.873861E+00  3.601253E+00
    8.0750  5.957962E+00  3.637692E+00
    8.1250  5.826848E+00  3.673771E+00
    8.1750  5.730322E+00  3.709690E+00
    8.2250  6.000516E+00  3.747765E+00
    8.2750  5.207390E+00  3.781210E+00
    8.3250  5.709874E+00  3.818327E+00
    8.3750  5.823897E+00  3.856641E+00
    8.4250  5.509191E+00  3.893319E+00
    8.4750  5.444377E+00  3.929997E+00
    8.5250  4.970854E+00  3.963881E+00
    8.5750  4.797317E+00  3.996967E+00
    8.6250  4.741857E+00  4.030053E+00
    8.6750  4.461185E+00  4.061542E+00
    8.7250  4.399021E+00  4.092952E+00
    8.7750  4.188776E+00  4.123204E+00
    8.8250  3.748063E+00  4.150583E+00
    8.8750  4.046293E+00  4.180476E+00
    8.9250  3.637834E+00  4.207655E+00
    8.9750  3.666087E+00  4.235353E+00
    9.0250  3.233765E+00  4.260057E+00
    9.0750  3.089728E+00  4.283924E+00
    9.1250  3.030409E+00  4.307591E+00
    9.1750  2.911539E+00  4.330580E+00
    9.2250  2.715060E+00  4.352251E+00
    9.2750  2.547368E+00  4.372805E+00
    9.3250  2.750116E+00  4.395235E+00
    9.3750  2.522363E+00  4.416028E+00
    9.4250  2.701648E+00  4.438538E+00
    9.4750  2.497840E+00  4.459571E+00
    9.5250  2.424783E+00  4.480204E+00
    9.5750  2.181387E+00  4.498962E+00
    9.6250  2.177155E+00  4.517880E+00
    9.6750  1.963786E+00  4.535121E+00
    9.7250  2.128111E+00  4.553999E+00
    9.7750  2.066317E+00  4.572518E+00
    9.8250  2.129092E+00  4.591794E+00
    9.8750  1.850138E+00  4.608716E+00
    9.9250  1.987052E+00  4.627075E+00
    9.9750  1.727699E+00  4.643199E+00
   10.0250  1.744379E+00  4.659642E+00
   10.0750  1.836101E+00  4.677123E+00
   10.1250  1.722545E+00  4.693686E+00
   10.1750  1.590577E+00  4.709132E+00
   10.2250  1.721576E+00  4.726014E+00
   10.2750  1.523494E+00  4.741100E+00
   10.3250  1.528731E+00  4.756386E+00
   10.3750  1.344049E+00  4.769955E+00
   10.4250  1.397747E+00  4.784203E+00
   10.4750  1.454239E+00  4.799170E+00
   10.5250  1.248394E+00  4.812141E+00
   10.5750  1.168127E+00  4.824393E+00
   10.6250  1.191082E+00  4.837005E+00
   10.6750  1.150079E+00  4.849298E+00
   10.7250  1.098688E+00  4.861151E+00
   10.7750  9.309187E-01  4.871288E+00
   10.8250  8.170325E-01  4.880268E+00
   10.8750  7.951450E-01  4.889088E+00
   10.9250  6.345849E-01  4.896193E+00
   10.9750  7.736556E-01  4.904933E+00
   11.0250  7.001409E-01  4.912915E+00
   11.0750  6.452650E-01  4.920338E+00
   11.1250  6.050974E-01  4.927363E+00
   11.1750  4.668079E-01  4.932830E+00
   11.2250  6.078725E-01  4.940014E+00
   11.2750  5.255079E-01  4.946280E+00
   11.3250  5.076071E-01  4.952387E+00
   11.3750  5.163088E-01  4.958653E+00
   11.4250  4.759410E-01  4.964480E+00
   11.4750  4.007089E-01  4.969428E+00
   11.5250  3.427793E-01  4.973699E+00
   11.5750  2.572502E-01  4.976932E+00
   11.6250  2.676367E-01  4.980324E+00
   11.6750  1.935489E-01  4.982799E+00
   11.7250  1.826161E-01  4.985153E+00
   11.7750  1.411720E-01  4.986989E+00
   11.8250  1.338946E-01  4.988745E+00
   11.8750  8.448965E-02  4.989863E+00
   11.9250  8.677487E-02  4.991020E+00
   11.9750  8.011714E-02  4.992098E+00
   12.0250  7.356692E-02  4.993095E+00
   12.0750  3.502029E-02  4.993574E+00
   12.1250  4.341507E-02  4.994173E+00
   12.1750  5.741228E-02  4.994971E+00
   12.2250  5.124925E-02  4.995690E+00
   12.2750  4.800856E-02  4.996368E+00
   12.3250  6.722800E-02  4.997326E+00
   12.3750  3.056434E-02  4.997765E+00
   12.4250  3.583136E-02  4.998284E+00
   12.4750  3.007630E-02  4.998723E+00
   12.5250  1.084969E-02  4.998883E+00
   12.5750  2.690895E-03  4.998922E+00
   12.6250  8.008871E-03  4.999042E+00
   12.6750  1.589162E-02  4.999282E+00
   12.7250  7.883489E-03  4.999401E+00
   12.7750  2.607300E-03  4.999441E+00
   12.8250  5.174020E-03  4.999521E+00
   12.8750  2.566956E-03  4.999561E+00
   12.9250  5.094267E-03  4.999641E+00
   12.9750  5.055081E-03  4.999721E+00
   13.0250  5.016345E-03  4.999800E+00
   13.0750  2.489026E-03  4.999840E+00
   13.1250  4.940196E-03  4.999920E+00
   13.1750  2.451385E-03  4.999960E+00
   13.2250  0.000000E+00  4.999960E+00
   13.2750  0.000000E+00  4.999960E+00
   13.3250  2.396505E-03  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :C       HC      

        r      g(r)         n(r)

    2.1750  0.000000E+00  0.000000E+00
    2.2250  0.000000E+00  0.000000E+00
    2.2750  3.523354E-02  2.394636E-04
    2.3250  2.248965E-01  1.835888E-03
    2.3750  1.185400E+00  1.061622E-02
    2.4250  4.563596E+00  4.585728E-02
    2.4750  1.209137E+01  1.431194E-01
    2.5250  2.080811E+01  3.173292E-01
    2.5750  2.691555E+01  5.516842E-01
    2.6250  2.752756E+01  8.007663E-01
    2.6750  2.327586E+01  1.019476E+00
    2.7250  1.917973E+01  1.206497E+00
    2.7750  1.709369E+01  1.379350E+00
    2.8250  1.557616E+01  1.542585E+00
    2.8750  1.496556E+01  1.705021E+00
    2.9250  1.375493E+01  1.859555E+00
    2.9750  1.289813E+01  2.009459E+00
    3.0250  1.141242E+01  2.146592E+00
    3.0750  1.154253E+01  2.289911E+00
    3.1250  1.157761E+01  2.438378E+00
    3.1750  1.172236E+01  2.593550E+00
    3.2250  1.132371E+01  2.748204E+00
    3.2750  1.126964E+01  2.906928E+00
    3.3250  1.136212E+01  3.071879E+00
    3.3750  1.162032E+01  3.245690E+00
    3.4250  1.253753E+01  3.438817E+00
    3.4750  1.277837E+01  3.641443E+00
    3.5250  1.348735E+01  3.861510E+00
    3.5750  1.432317E+01  4.101892E+00
    3.6250  1.478887E+01  4.357080E+00
    3.6750  1.540189E+01  4.630228E+00
    3.7250  1.557385E+01  4.913993E+00
    3.7750  1.691291E+01  5.230484E+00
    3.8250  1.849701E+01  5.585848E+00
    3.8750  2.048408E+01  5.989743E+00
    3.9250  2.276701E+01  6.450311E+00
    3.9750  2.476197E+01  6.964080E+00
    4.0250  2.565144E+01  7.509778E+00
    4.0750  2.527109E+01  8.060824E+00
    4.1250  2.474256E+01  8.613665E+00
    4.1750  2.307240E+01  9.141762E+00
    4.2250  2.041314E+01  9.620251E+00
    4.2750  1.780473E+01  1.004753E+01
    4.3250  1.624994E+01  1.044668E+01
    4.3750  1.585682E+01  1.084523E+01
    4.4250  1.658085E+01  1.127155E+01
    4.4750  1.636266E+01  1.170183E+01
    4.5250  1.692188E+01  1.215681E+01
    4.5750  1.781300E+01  1.264639E+01
    4.6250  1.784484E+01  1.314763E+01
    4.6750  1.590487E+01  1.360409E+01
    4.7250  1.359333E+01  1.400259E+01
    4.7750  1.273295E+01  1.438382E+01
    4.8250  1.295086E+01  1.477973E+01
    4.8750  1.374676E+01  1.520873E+01
    4.9250  1.412064E+01  1.565848E+01
    4.9750  1.475923E+01  1.613817E+01
    5.0250  1.538057E+01  1.664815E+01
    5.0750  1.523713E+01  1.716347E+01
    5.1250  1.491582E+01  1.767792E+01
    5.1750  1.396620E+01  1.816906E+01
    5.2250  1.308342E+01  1.863809E+01
    5.2750  1.204684E+01  1.907826E+01
    5.3250  1.103492E+01  1.948914E+01
    5.3750  1.083689E+01  1.990026E+01
    5.4250  1.047592E+01  2.030512E+01
    5.4750  1.058761E+01  2.072186E+01
    5.5250  1.071048E+01  2.115118E+01
    5.5750  1.063853E+01  2.158537E+01
    5.6250  1.079221E+01  2.203376E+01
    5.6750  1.095867E+01  2.249721E+01
    5.7250  1.112325E+01  2.297593E+01
    5.7750  1.107182E+01  2.346081E+01
    5.8250  1.048127E+01  2.392780E+01
    5.8750  1.030362E+01  2.439480E+01
    5.9250  1.001877E+01  2.485664E+01
    5.9750  9.925863E+00  2.532196E+01
    6.0250  9.811202E+00  2.578963E+01
    6.0750  9.621542E+00  2.625591E+01
    6.1250  9.674929E+00  2.673252E+01
    6.1750  9.927794E+00  2.722961E+01
    6.2250  9.874055E+00  2.773204E+01
    6.2750  9.823076E+00  2.823994E+01
    6.3250  9.776267E+00  2.875351E+01
    6.3750  9.926401E+00  2.928325E+01
    6.4250  9.690044E+00  2.980851E+01
    6.4750  9.572867E+00  3.033553E+01
    6.5250  9.313213E+00  3.085620E+01
    6.5750  9.300767E+00  3.138418E+01
    6.6250  9.232234E+00  3.191627E+01
    6.6750  9.211090E+00  3.245518E+01
    6.7250  8.975169E+00  3.298819E+01
    6.7750  9.087522E+00  3.353592E+01
    6.8250  9.036422E+00  3.408864E+01
    6.8750  8.860449E+00  3.463857E+01
    6.9250  8.926268E+00  3.520067E+01
    6.9750  8.869347E+00  3.576728E+01
    7.0250  8.852552E+00  3.634096E+01
    7.0750  8.670186E+00  3.691084E+01
    7.1250  8.441160E+00  3.747354E+01
    7.1750  8.189905E+00  3.802718E+01
    7.2250  8.090334E+00  3.858174E+01
    7.2750  7.806653E+00  3.912428E+01
    7.3250  7.476691E+00  3.965106E+01
    7.3750  7.493005E+00  4.018622E+01
    7.4250  7.328478E+00  4.071675E+01
    7.4750  7.359139E+00  4.125670E+01
    7.5250  7.318564E+00  4.180089E+01
    7.5750  7.179364E+00  4.234183E+01
    7.6250  7.128384E+00  4.288606E+01
    7.6750  7.030649E+00  4.342988E+01
    7.7250  6.711250E+00  4.395578E+01
    7.7750  6.661912E+00  4.448459E+01
    7.8250  6.610802E+00  4.501612E+01
    7.8750  6.509479E+00  4.554622E+01
    7.9250  6.234027E+00  4.606034E+01
    7.9750  6.064826E+00  4.656685E+01
    8.0250  6.065943E+00  4.707982E+01
    8.0750  5.833973E+00  4.757934E+01
    8.1250  5.709906E+00  4.807431E+01
    8.1750  5.579332E+00  4.856394E+01
    8.2250  5.613690E+00  4.906262E+01
    8.2750  5.438642E+00  4.955164E+01
    8.3250  5.322638E+00  5.003604E+01
    8.3750  5.258840E+00  5.052039E+01
    8.4250  5.132805E+00  5.099880E+01
    8.4750  4.984825E+00  5.146895E+01
    8.5250  4.845809E+00  5.193139E+01
    8.5750  4.819638E+00  5.239675E+01
    8.6250  4.716526E+00  5.285748E+01
    8.6750  4.669987E+00  5.331897E+01
    8.7250  4.640971E+00  5.378289E+01
    8.7750  4.624548E+00  5.425048E+01
    8.8250  4.605466E+00  5.472146E+01
    8.8750  4.499311E+00  5.518682E+01
    8.9250  4.322361E+00  5.563893E+01
    8.9750  4.323764E+00  5.609626E+01
    9.0250  4.242778E+00  5.655005E+01
    9.0750  4.182499E+00  5.700235E+01
    9.1250  4.085321E+00  5.744903E+01
    9.1750  4.026835E+00  5.789416E+01
    9.2250  4.021160E+00  5.834351E+01
    9.2750  3.907967E+00  5.878496E+01
    9.3250  3.917202E+00  5.923224E+01
    9.3750  3.743775E+00  5.966431E+01
    9.4250  3.688762E+00  6.009459E+01
    9.4750  3.625558E+00  6.052199E+01
    9.5250  3.491447E+00  6.093794E+01
    9.5750  3.560501E+00  6.136658E+01
    9.6250  3.529510E+00  6.179594E+01
    9.6750  3.439223E+00  6.221867E+01
    9.7250  3.425803E+00  6.264412E+01
    9.7750  3.314504E+00  6.305999E+01
    9.8250  3.316434E+00  6.348036E+01
    9.8750  3.220911E+00  6.389280E+01
    9.9250  3.120351E+00  6.429642E+01
    9.9750  3.061350E+00  6.469640E+01
   10.0250  2.994296E+00  6.509155E+01
   10.0750  2.859850E+00  6.547274E+01
   10.1250  2.798172E+00  6.584942E+01
   10.1750  2.732281E+00  6.622087E+01
   10.2250  2.670158E+00  6.658744E+01
   10.2750  2.628689E+00  6.695187E+01
   10.3250  2.577346E+00  6.731266E+01
   10.3750  2.549176E+00  6.767297E+01
   10.4250  2.472486E+00  6.802582E+01
   10.4750  2.466943E+00  6.838127E+01
   10.5250  2.340945E+00  6.872178E+01
   10.5750  2.319676E+00  6.906242E+01
   10.6250  2.306510E+00  6.940433E+01
   10.6750  2.192937E+00  6.973248E+01
   10.7250  2.149550E+00  7.005715E+01
   10.7750  2.124411E+00  7.038103E+01
   10.8250  2.112094E+00  7.070602E+01
   10.8750  2.001483E+00  7.101684E+01
   10.9250  1.926673E+00  7.131881E+01
   10.9750  1.927831E+00  7.162372E+01
   11.0250  1.839120E+00  7.191727E+01
   11.0750  1.802975E+00  7.220765E+01
   11.1250  1.721728E+00  7.248747E+01
   11.1750  1.703192E+00  7.276676E+01
   11.2250  1.634501E+00  7.303720E+01
   11.2750  1.590151E+00  7.330264E+01
   11.3250  1.556235E+00  7.356473E+01
   11.3750  1.465772E+00  7.381378E+01
   11.4250  1.480214E+00  7.406749E+01
   11.4750  1.435489E+00  7.431569E+01
   11.5250  1.398576E+00  7.455963E+01
   11.5750  1.315969E+00  7.479115E+01
   11.6250  1.340433E+00  7.502902E+01
   11.6750  1.290623E+00  7.526002E+01
   11.7250  1.233653E+00  7.548272E+01
   11.7750  1.204566E+00  7.570203E+01
   11.8250  1.146581E+00  7.591256E+01
   11.8750  1.127247E+00  7.612129E+01
   11.9250  1.100929E+00  7.632687E+01
   11.9750  1.051061E+00  7.652478E+01
   12.0250  1.040026E+00  7.672226E+01
   12.0750  1.025594E+00  7.691862E+01
   12.1250  9.786998E-01  7.710756E+01
   12.1750  9.288487E-01  7.728835E+01
   12.2250  8.919810E-01  7.746340E+01
   12.2750  8.897721E-01  7.763945E+01
   12.3250  8.561565E-01  7.781023E+01
   12.3750  8.178939E-01  7.797470E+01
   12.4250  7.684056E-01  7.813047E+01
   12.4750  7.489779E-01  7.828352E+01
   12.5250  6.994175E-01  7.842760E+01
   12.5750  6.850251E-01  7.856984E+01
   12.6250  6.397562E-01  7.870374E+01
   12.6750  6.313135E-01  7.883693E+01
   12.7250  5.972682E-01  7.896392E+01
   12.7750  5.600108E-01  7.908393E+01
   12.8250  5.316305E-01  7.919875E+01
   12.8750  5.229255E-01  7.931258E+01
   12.9250  5.161584E-01  7.942581E+01
   12.9750  5.044248E-01  7.953732E+01
   13.0250  4.577415E-01  7.963929E+01
   13.0750  4.489136E-01  7.974006E+01
   13.1250  4.230925E-01  7.983577E+01
   13.1750  4.134086E-01  7.993000E+01
   13.2250  3.864811E-01  8.001876E+01
   13.2750  3.784011E-01  8.010632E+01
   13.3250  3.558811E-01  8.018930E+01
   13.3750  3.257012E-01  8.026580E+01
   13.4250  3.086081E-01  8.033884E+01
   13.4750  2.959440E-01  8.040940E+01
   13.5250  2.585353E-01  8.047150E+01
   13.5750  2.404710E-01  8.052969E+01
   13.6250  2.344525E-01  8.058685E+01
   13.6750  2.168133E-01  8.064009E+01
   13.7250  1.921639E-01  8.068762E+01
   13.7750  1.907715E-01  8.073515E+01
   13.8250  1.641097E-01  8.077634E+01
   13.8750  1.727174E-01  8.082000E+01
   13.9250  1.523564E-01  8.085880E+01
   13.9750  1.553144E-01  8.089863E+01

g(r)  :C       N       

        r      g(r)         n(r)

    2.6750  0.000000E+00  0.000000E+00
    2.7250  0.000000E+00  0.000000E+00
    2.7750  1.105110E-01  7.982120E-05
    2.8250  1.172972E+00  9.578544E-04
    2.8750  4.066809E+00  4.110792E-03
    2.9250  9.250474E+00  1.153416E-02
    2.9750  1.528820E+01  2.422573E-02
    3.0250  2.283149E+01  4.382184E-02
    3.0750  3.136508E+01  7.163953E-02
    3.1250  3.742805E+01  1.059227E-01
    3.1750  4.115490E+01  1.448356E-01
    3.2250  4.107513E+01  1.849058E-01
    3.2750  3.772792E+01  2.228608E-01
    3.3250  3.125201E+01  2.552682E-01
    3.3750  2.700823E+01  2.841236E-01
    3.4250  2.071193E+01  3.069125E-01
    3.4750  1.656129E+01  3.256705E-01
    3.5250  1.513597E+01  3.433110E-01
    3.5750  1.251820E+01  3.583174E-01
    3.6250  1.369717E+01  3.751996E-01
    3.6750  1.316947E+01  3.918822E-01
    3.7250  1.471958E+01  4.110393E-01
    3.7750  1.549674E+01  4.317529E-01
    3.8250  1.733367E+01  4.555396E-01
    3.8750  1.680423E+01  4.792066E-01
    3.9250  1.925134E+01  5.070243E-01
    3.9750  1.739666E+01  5.328065E-01
    4.0250  1.581148E+01  5.568327E-01
    4.0750  1.270967E+01  5.766284E-01
    4.1250  1.250346E+01  5.965837E-01
    4.1750  1.213254E+01  6.164192E-01
    4.2250  1.113196E+01  6.350575E-01
    4.2750  1.050057E+01  6.530572E-01
    4.3250  1.164679E+01  6.734914E-01
    4.3750  1.055957E+01  6.924489E-01
    4.4250  1.153923E+01  7.136414E-01
    4.4750  1.162278E+01  7.354725E-01
    4.5250  1.348703E+01  7.613745E-01
    4.5750  1.461692E+01  7.900702E-01
    4.6250  1.623214E+01  8.226373E-01
    4.6750  1.804786E+01  8.596344E-01
    4.7250  1.972632E+01  9.009419E-01
    4.7750  2.073370E+01  9.452826E-01
    4.8250  2.149424E+01  9.922174E-01
    4.8750  2.247005E+01  1.042305E+00
    4.9250  2.334937E+01  1.095426E+00
    4.9750  2.267610E+01  1.148068E+00
    5.0250  2.369316E+01  1.204183E+00
    5.0750  2.421987E+01  1.262692E+00
    5.1250  2.417080E+01  1.322238E+00
    5.1750  2.276856E+01  1.379430E+00
    5.2250  2.007490E+01  1.430835E+00
    5.2750  1.893154E+01  1.480244E+00
    5.3250  1.659687E+01  1.524385E+00
    5.3750  1.621588E+01  1.568327E+00
    5.4250  1.490629E+01  1.609475E+00
    5.4750  1.190979E+01  1.642960E+00
    5.5250  1.208551E+01  1.677562E+00
    5.5750  1.152744E+01  1.711167E+00
    5.6250  9.830664E+00  1.740342E+00
    5.6750  9.486440E+00  1.768997E+00
    5.7250  8.646371E+00  1.795578E+00
    5.7750  9.875240E+00  1.826469E+00
    5.8250  9.756599E+00  1.857519E+00
    5.8750  9.652877E+00  1.888769E+00
    5.9250  9.611856E+00  1.920418E+00
    5.9750  1.079849E+01  1.956577E+00
    6.0250  1.060829E+01  1.992696E+00
    6.0750  1.103393E+01  2.030891E+00
    6.1250  1.135358E+01  2.070841E+00
    6.1750  1.185118E+01  2.113226E+00
    6.2250  1.217766E+01  2.157487E+00
    6.2750  1.242743E+01  2.203384E+00
    6.3250  1.313581E+01  2.252674E+00
    6.3750  1.280493E+01  2.301485E+00
    6.4250  1.296718E+01  2.351692E+00
    6.4750  1.322440E+01  2.403696E+00
    6.5250  1.255278E+01  2.453823E+00
    6.5750  1.245117E+01  2.504310E+00
    6.6250  1.132354E+01  2.550926E+00
    6.6750  1.099219E+01  2.596863E+00
    6.7250  1.067881E+01  2.642162E+00
    6.7750  1.091112E+01  2.689136E+00
    6.8250  9.527752E+00  2.730763E+00
    6.8750  9.812791E+00  2.774266E+00
    6.9250  9.361046E+00  2.816371E+00
    6.9750  9.061140E+00  2.857719E+00
    7.0250  9.079193E+00  2.899745E+00
    7.0750  8.585786E+00  2.940054E+00
    7.1250  8.465707E+00  2.980364E+00
    7.1750  8.728341E+00  3.022510E+00
    7.2250  8.184076E+00  3.062580E+00
    7.2750  8.063927E+00  3.102610E+00
    7.3250  8.215920E+00  3.143958E+00
    7.3750  7.259984E+00  3.180995E+00
    7.4250  6.907833E+00  3.216715E+00
    7.4750  6.107504E+00  3.248723E+00
    7.5250  6.372277E+00  3.282567E+00
    7.5750  6.236523E+00  3.316132E+00
    7.6250  6.323330E+00  3.350615E+00
    7.6750  6.226763E+00  3.385018E+00
    7.7250  6.253375E+00  3.420019E+00
    7.7750  6.391414E+00  3.456258E+00
    7.8250  5.830491E+00  3.489743E+00
    7.8750  5.996837E+00  3.524625E+00
    7.9250  6.050132E+00  3.560265E+00
    7.9750  5.599845E+00  3.593670E+00
    8.0250  5.265992E+00  3.625479E+00
    8.0750  5.370649E+00  3.658325E+00
    8.1250  4.982471E+00  3.689176E+00
    8.1750  5.316465E+00  3.722502E+00
    8.2250  4.931242E+00  3.753792E+00
    8.2750  5.194961E+00  3.787157E+00
    8.3250  5.151166E+00  3.820642E+00
    8.3750  4.986712E+00  3.853448E+00
    8.4250  4.873745E+00  3.885896E+00
    8.4750  4.810483E+00  3.918303E+00
    8.5250  4.566863E+00  3.949433E+00
    8.5750  4.513760E+00  3.980564E+00
    8.6250  5.153695E+00  4.016523E+00
    8.6750  4.619503E+00  4.049130E+00
    8.7250  4.449328E+00  4.080899E+00
    8.7750  4.415346E+00  4.112787E+00
    8.8250  4.370919E+00  4.144716E+00
    8.8750  4.338015E+00  4.176764E+00
    8.9250  3.942323E+00  4.206218E+00
    8.9750  3.428373E+00  4.232120E+00
    9.0250  3.662148E+00  4.260097E+00
    9.0750  3.172396E+00  4.284602E+00
    9.1250  3.173497E+00  4.309387E+00
    9.1750  2.866046E+00  4.332016E+00
    9.2250  2.960065E+00  4.355643E+00
    9.2750  3.066734E+00  4.380388E+00
    9.3250  2.862665E+00  4.403736E+00
    9.3750  2.430376E+00  4.423771E+00
    9.4250  2.256163E+00  4.442569E+00
    9.4750  2.668470E+00  4.465038E+00
    9.5250  2.631148E+00  4.487428E+00
    9.5750  2.784749E+00  4.511375E+00
    9.6250  2.572166E+00  4.533724E+00
    9.6750  2.354725E+00  4.554398E+00
    9.7250  2.033629E+00  4.572438E+00
    9.7750  2.044050E+00  4.590757E+00
    9.8250  1.802896E+00  4.607080E+00
    9.8750  1.959226E+00  4.625000E+00
    9.9250  1.650117E+00  4.640246E+00
    9.9750  1.582298E+00  4.655013E+00
   10.0250  1.579256E+00  4.669899E+00
   10.0750  1.664228E+00  4.685744E+00
   10.1250  1.751600E+00  4.702586E+00
   10.1750  1.693327E+00  4.719029E+00
   10.2250  1.815184E+00  4.736830E+00
   10.2750  1.708892E+00  4.753752E+00
   10.3250  1.808134E+00  4.771831E+00
   10.3750  1.711686E+00  4.789112E+00
   10.4250  1.769697E+00  4.807152E+00
   10.4750  1.717941E+00  4.824832E+00
   10.5250  1.494232E+00  4.840358E+00
   10.5750  1.369791E+00  4.854725E+00
   10.6250  1.168467E+00  4.867098E+00
   10.6750  1.094068E+00  4.878792E+00
   10.7250  1.113485E+00  4.890805E+00
   10.7750  9.675690E-01  4.901341E+00
   10.8250  7.625636E-01  4.909722E+00
   10.8750  6.764130E-01  4.917225E+00
   10.9250  6.559754E-01  4.924569E+00
   10.9750  5.546298E-01  4.930835E+00
   11.0250  4.620930E-01  4.936103E+00
   11.0750  4.093617E-01  4.940813E+00
   11.1250  4.160044E-01  4.945642E+00
   11.1750  4.327343E-01  4.950710E+00
   11.2250  4.356419E-01  4.955859E+00
   11.2750  3.447599E-01  4.959970E+00
   11.3250  3.384047E-01  4.964041E+00
   11.3750  2.696645E-01  4.967313E+00
   11.4250  2.379705E-01  4.970227E+00
   11.4750  2.165121E-01  4.972901E+00
   11.5250  1.345489E-01  4.974577E+00
   11.5750  1.651483E-01  4.976652E+00
   11.6250  9.446002E-02  4.977850E+00
   11.6750  1.498443E-01  4.979765E+00
   11.7250  1.392835E-01  4.981561E+00
   11.7750  6.137915E-02  4.982360E+00
   11.8250  7.911954E-02  4.983397E+00
   11.8750  6.940221E-02  4.984315E+00
   11.9250  8.976710E-02  4.985512E+00
   11.9750  8.605175E-02  4.986670E+00
   12.0250  9.122298E-02  4.987907E+00
   12.0750  1.021425E-01  4.989304E+00
   12.1250  9.840750E-02  4.990661E+00
   12.1750  6.889474E-02  4.991619E+00
   12.2250  8.256824E-02  4.992776E+00
   12.2750  6.495276E-02  4.993694E+00
   12.3250  6.722800E-02  4.994652E+00
   12.3750  5.835011E-02  4.995490E+00
   12.4250  4.134388E-02  4.996089E+00
   12.4750  6.562101E-02  4.997047E+00
   12.5250  3.526149E-02  4.997565E+00
   12.5750  4.843612E-02  4.998284E+00
   12.6250  2.936586E-02  4.998723E+00
   12.6750  1.854022E-02  4.999002E+00
   12.7250  3.416179E-02  4.999521E+00
   12.7750  5.214600E-03  4.999601E+00
   12.8250  1.034804E-02  4.999761E+00
   12.8750  2.566956E-03  4.999800E+00
   12.9250  5.094267E-03  4.999880E+00
   12.9750  2.527540E-03  4.999920E+00
   13.0250  5.016345E-03  5.000000E+00
   13.0750  0.000000E+00  5.000000E+00
   13.1250  0.000000E+00  5.000000E+00
   13.1750  0.000000E+00  5.000000E+00
   13.2250  0.000000E+00  5.000000E+00
   13.2750  0.000000E+00  5.000000E+00
   13.3250  0.000000E+00  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :C       OS      

        r      g(r)         n(r)

    2.6750  0.000000E+00  0.000000E+00
    2.7250  0.000000E+00  0.000000E+00
    2.7750  1.105110E-01  7.982120E-05
    2.8250  2.132677E-01  2.394636E-04
    2.8750  7.207004E-01  7.982120E-04
    2.9250  2.834823E+00  3.073116E-03
    2.9750  3.798012E+00  6.226054E-03
    3.0250  4.324498E+00  9.937739E-03
    3.0750  5.625014E+00  1.492656E-02
    3.1250  8.235043E+00  2.246967E-02
    3.1750  9.581705E+00  3.152937E-02
    3.2250  9.491464E+00  4.078863E-02
    3.2750  1.158418E+01  5.244253E-02
    3.3250  1.077655E+01  6.361750E-02
    3.3750  1.292510E+01  7.742656E-02
    3.4250  1.523470E+01  9.418902E-02
    3.4750  1.617368E+01  1.125080E-01
    3.5250  1.547841E+01  1.305476E-01
    3.5750  1.551458E+01  1.491459E-01
    3.6250  1.489527E+01  1.675048E-01
    3.6750  1.654060E+01  1.884579E-01
    3.7250  1.521024E+01  2.082535E-01
    3.7750  1.424267E+01  2.272909E-01
    3.8250  1.779901E+01  2.517162E-01
    3.8750  1.853283E+01  2.778177E-01
    3.9250  1.773222E+01  3.034403E-01
    3.9750  1.933561E+01  3.320961E-01
    4.0250  1.985628E+01  3.622685E-01
    4.0750  2.029448E+01  3.938777E-01
    4.1250  2.013057E+01  4.260057E-01
    4.1750  1.874806E+01  4.566571E-01
    4.2250  1.649533E+01  4.842752E-01
    4.2750  1.564608E+01  5.110951E-01
    4.3250  1.562763E+01  5.385137E-01
    4.3750  1.444993E+01  5.644556E-01
    4.4250  1.734144E+01  5.963043E-01
    4.4750  1.980335E+01  6.335010E-01
    4.5250  2.225672E+01  6.762452E-01
    4.5750  2.360256E+01  7.225814E-01
    4.6250  2.693422E+01  7.766204E-01
    4.6750  2.727622E+01  8.325351E-01
    4.7250  2.801709E+01  8.912037E-01
    4.7750  2.791864E+01  9.509100E-01
    4.8250  2.500351E+01  1.005508E+00
    4.8750  2.510200E+01  1.061462E+00
    4.9250  2.177053E+01  1.110991E+00
    4.9750  2.102568E+01  1.159802E+00
    5.0250  2.065990E+01  1.208732E+00
    5.0750  2.012264E+01  1.257344E+00
    5.1250  2.094695E+01  1.308948E+00
    5.1750  2.016280E+01  1.359595E+00
    5.2250  1.996579E+01  1.410720E+00
    5.2750  1.902329E+01  1.460369E+00
    5.3250  1.808248E+01  1.508461E+00
    5.3750  1.680502E+01  1.553999E+00
    5.4250  1.560028E+01  1.597063E+00
    5.4750  1.428039E+01  1.637213E+00
    5.5250  1.272672E+01  1.673651E+00
    5.5750  1.133577E+01  1.706697E+00
    5.6250  9.723078E+00  1.735552E+00
    5.6750  8.905099E+00  1.762452E+00
    5.7250  8.607423E+00  1.788913E+00
    5.7750  8.535575E+00  1.815613E+00
    5.8250  8.013453E+00  1.841116E+00
    5.8750  7.458481E+00  1.865262E+00
    5.9250  8.145230E+00  1.892082E+00
    5.9750  7.711508E+00  1.917904E+00
    6.0250  7.841929E+00  1.944604E+00
    6.0750  8.312920E+00  1.973380E+00
    6.1250  8.291176E+00  2.002554E+00
    6.1750  8.726575E+00  2.033764E+00
    6.2250  8.685780E+00  2.065334E+00
    6.2750  8.774849E+00  2.097741E+00
    6.3250  8.806846E+00  2.130787E+00
    6.3750  8.616891E+00  2.163633E+00
    6.4250  8.297759E+00  2.195761E+00
    6.4750  8.708011E+00  2.230005E+00
    6.5250  8.854906E+00  2.265366E+00
    6.5750  9.311312E+00  2.303121E+00
    6.6250  9.879017E+00  2.343790E+00
    6.6750  9.951224E+00  2.385377E+00
    6.7250  9.944931E+00  2.427562E+00
    6.7750  1.013241E+01  2.471185E+00
    6.8250  9.317648E+00  2.511893E+00
    6.8750  9.299645E+00  2.553121E+00
    6.9250  8.890776E+00  2.593111E+00
    6.9750  8.693797E+00  2.632783E+00
    7.0250  8.734304E+00  2.673212E+00
    7.0750  8.798305E+00  2.714519E+00
    7.1250  8.365124E+00  2.754350E+00
    7.1750  8.868854E+00  2.797174E+00
    7.2250  7.809108E+00  2.835409E+00
    7.2750  7.895091E+00  2.874601E+00
    7.3250  7.787677E+00  2.913793E+00
    7.3750  8.167481E+00  2.955460E+00
    7.4250  7.864896E+00  2.996129E+00
    7.4750  8.049416E+00  3.038314E+00
    7.5250  8.235867E+00  3.082056E+00
    7.5750  8.120086E+00  3.125758E+00
    7.6250  8.072492E+00  3.169780E+00
    7.6750  7.714829E+00  3.212404E+00
    7.7250  7.180329E+00  3.252594E+00
    7.7750  7.257211E+00  3.293742E+00
    7.8250  6.997980E+00  3.333932E+00
    7.8750  7.032903E+00  3.374840E+00
    7.9250  6.876690E+00  3.415350E+00
    7.9750  6.636854E+00  3.454941E+00
    8.0250  6.746020E+00  3.495690E+00
    8.0750  6.290772E+00  3.534163E+00
    8.1250  5.691490E+00  3.569405E+00
    8.1750  5.819460E+00  3.605883E+00
    8.2250  5.748922E+00  3.642361E+00
    8.2750  5.480809E+00  3.677562E+00
    8.3250  5.138887E+00  3.710967E+00
    8.3750  4.768316E+00  3.742337E+00
    8.4250  4.975656E+00  3.775463E+00
    8.4750  4.650529E+00  3.806793E+00
    8.5250  4.783496E+00  3.839400E+00
    8.5750  4.612137E+00  3.871208E+00
    8.6250  4.478739E+00  3.902458E+00
    8.6750  4.890906E+00  3.936981E+00
    8.7250  4.902086E+00  3.971983E+00
    8.7750  4.785594E+00  4.006545E+00
    8.8250  4.234328E+00  4.037476E+00
    8.8750  4.678357E+00  4.072039E+00
    8.9250  4.337623E+00  4.104446E+00
    8.9750  4.284145E+00  4.136814E+00
    9.0250  4.268152E+00  4.169420E+00
    9.0750  4.665592E+00  4.205460E+00
    9.1250  4.251771E+00  4.238665E+00
    9.1750  3.932600E+00  4.269716E+00
    9.2250  3.550078E+00  4.298052E+00
    9.2750  3.442657E+00  4.325830E+00
    9.3250  3.464559E+00  4.354087E+00
    9.3750  3.277619E+00  4.381106E+00
    9.4250  3.209404E+00  4.407846E+00
    9.4750  3.104525E+00  4.433988E+00
    9.5250  3.104848E+00  4.460409E+00
    9.5750  3.049300E+00  4.486630E+00
    9.6250  2.751299E+00  4.510536E+00
    9.6750  2.763847E+00  4.534802E+00
    9.7250  2.632019E+00  4.558150E+00
    9.7750  2.369139E+00  4.579382E+00
    9.8250  1.917505E+00  4.596743E+00
    9.8750  2.055224E+00  4.615541E+00
    9.9250  1.840183E+00  4.632543E+00
    9.9750  1.826058E+00  4.649585E+00
   10.0250  1.676636E+00  4.665390E+00
   10.0750  1.576196E+00  4.680396E+00
   10.1250  1.519160E+00  4.695003E+00
   10.1750  1.471386E+00  4.709291E+00
   10.2250  1.155857E+00  4.720626E+00
   10.2750  1.011632E+00  4.730643E+00
   10.3250  1.205423E+00  4.742696E+00
   10.3750  1.217551E+00  4.754989E+00
   10.4250  1.292035E+00  4.768159E+00
   10.4750  1.271974E+00  4.781250E+00
   10.5250  1.129317E+00  4.792984E+00
   10.5750  1.164322E+00  4.805196E+00
   10.6250  1.036543E+00  4.816172E+00
   10.6750  9.559095E-01  4.826389E+00
   10.7250  9.359195E-01  4.836486E+00
   10.7750  7.879824E-01  4.845067E+00
   10.8250  7.916137E-01  4.853768E+00
   10.8750  7.195883E-01  4.861750E+00
   10.9250  7.094516E-01  4.869692E+00
   10.9750  7.100675E-01  4.877714E+00
   11.0250  5.916190E-01  4.884459E+00
   11.0750  5.342517E-01  4.890605E+00
   11.1250  5.432124E-01  4.896911E+00
   11.1750  4.668079E-01  4.902379E+00
   11.2250  4.829209E-01  4.908086E+00
   11.2750  4.719529E-01  4.913713E+00
   11.3250  3.881701E-01  4.918383E+00
   11.3750  3.584564E-01  4.922733E+00
   11.4250  3.520659E-01  4.927043E+00
   11.4750  3.877828E-01  4.931833E+00
   11.5250  3.075403E-01  4.935664E+00
   11.5750  2.794817E-01  4.939176E+00
   11.6250  2.109607E-01  4.941850E+00
   11.6750  1.935489E-01  4.944325E+00
   11.7250  2.445198E-01  4.947478E+00
   11.7750  1.687927E-01  4.949673E+00
   11.8250  1.460669E-01  4.951588E+00
   11.8750  1.569094E-01  4.953664E+00
   11.9250  2.064643E-01  4.956418E+00
   11.9750  2.551879E-01  4.959850E+00
   12.0250  1.853886E-01  4.962364E+00
   12.0750  2.276319E-01  4.965477E+00
   12.1250  2.199697E-01  4.968511E+00
   12.1750  2.382610E-01  4.971823E+00
   12.2250  2.619406E-01  4.975495E+00
   12.2750  2.202746E-01  4.978608E+00
   12.3250  2.521050E-01  4.982200E+00
   12.3750  2.306219E-01  4.985512E+00
   12.4250  2.094757E-01  4.988546E+00
   12.4750  1.421789E-01  4.990621E+00
   12.5250  1.247714E-01  4.992457E+00
   12.5750  7.803597E-02  4.993614E+00
   12.6250  9.877607E-02  4.995091E+00
   12.6750  6.886368E-02  4.996129E+00
   12.7250  6.832357E-02  4.997166E+00
   12.7750  8.604090E-02  4.998483E+00
   12.8250  2.845711E-02  4.998922E+00
   12.8750  7.700867E-03  4.999042E+00
   12.9250  1.018853E-02  4.999202E+00
   12.9750  1.011016E-02  4.999361E+00
   13.0250  1.003269E-02  4.999521E+00
   13.0750  7.467078E-03  4.999641E+00
   13.1250  7.410295E-03  4.999761E+00
   13.1750  7.354156E-03  4.999880E+00
   13.2250  4.865769E-03  4.999960E+00
   13.2750  0.000000E+00  4.999960E+00
   13.3250  2.396505E-03  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :C       Oe      

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  3.850317E-01  2.394636E-04
    2.6250  1.420265E+00  1.157407E-03
    2.6750  4.638182E+00  4.270434E-03
    2.7250  1.300751E+01  1.333014E-02
    2.7750  2.215746E+01  2.933429E-02
    2.8250  3.332308E+01  5.427842E-02
    2.8750  4.581595E+01  8.979885E-02
    2.9250  5.092734E+01  1.306673E-01
    2.9750  5.475868E+01  1.761255E-01
    3.0250  5.482347E+01  2.231801E-01
    3.0750  5.512513E+01  2.720706E-01
    3.1250  5.307028E+01  3.206817E-01
    3.1750  5.187628E+01  3.697318E-01
    3.2250  5.003475E+01  4.185425E-01
    3.2750  4.467049E+01  4.634818E-01
    3.3250  4.079696E+01  5.057870E-01
    3.3750  3.743050E+01  5.457775E-01
    3.4250  3.340751E+01  5.825351E-01
    3.4750  3.132550E+01  6.180156E-01
    3.5250  2.962129E+01  6.525383E-01
    3.5750  2.873194E+01  6.869812E-01
    3.6250  3.137720E+01  7.256545E-01
    3.6750  3.201000E+01  7.662037E-01
    3.7250  3.253641E+01  8.085489E-01
    3.7750  3.532302E+01  8.557631E-01
    3.8250  3.521993E+01  9.040948E-01
    3.8750  3.499701E+01  9.533844E-01
    3.9250  3.626544E+01  1.005787E+00
    3.9750  3.557429E+01  1.058509E+00
    4.0250  3.905593E+01  1.117856E+00
    4.0750  3.997397E+01  1.180117E+00
    4.1250  4.091132E+01  1.245410E+00
    4.1750  4.159727E+01  1.313418E+00
    4.2250  4.066623E+01  1.381505E+00
    4.2750  3.585559E+01  1.442968E+00
    4.3250  3.218791E+01  1.499441E+00
    4.3750  2.809957E+01  1.549888E+00
    4.4250  2.894586E+01  1.603049E+00
    4.4750  2.834514E+01  1.656290E+00
    4.5250  2.905220E+01  1.712085E+00
    4.5750  2.669264E+01  1.764488E+00
    4.6250  2.492509E+01  1.814496E+00
    4.6750  2.285673E+01  1.861351E+00
    4.7250  1.789663E+01  1.898827E+00
    4.7750  1.619878E+01  1.933469E+00
    4.8250  1.560892E+01  1.967553E+00
    4.8750  1.385802E+01  1.998443E+00
    4.9250  1.385876E+01  2.029973E+00
    4.9750  1.366755E+01  2.061702E+00
    5.0250  1.363284E+01  2.093989E+00
    5.0750  1.329945E+01  2.126117E+00
    5.1250  1.305742E+01  2.158285E+00
    5.1750  1.360076E+01  2.192449E+00
    5.2250  1.318584E+01  2.226213E+00
    5.2750  1.307469E+01  2.260337E+00
    5.3250  1.307041E+01  2.295099E+00
    5.3750  1.328495E+01  2.331098E+00
    5.4250  1.330144E+01  2.367816E+00
    5.4750  1.256277E+01  2.403137E+00
    5.5250  1.209945E+01  2.437779E+00
    5.5750  1.236256E+01  2.473819E+00
    5.6250  1.156549E+01  2.508142E+00
    5.6750  1.231388E+01  2.545338E+00
    5.7250  1.226850E+01  2.583054E+00
    5.7750  1.326906E+01  2.624561E+00
    5.8250  1.333067E+01  2.666986E+00
    5.8750  1.373347E+01  2.711446E+00
    5.9250  1.376932E+01  2.756785E+00
    5.9750  1.355175E+01  2.802163E+00
    6.0250  1.345670E+01  2.847981E+00
    6.0750  1.255585E+01  2.891443E+00
    6.1250  1.246512E+01  2.935305E+00
    6.1750  1.194045E+01  2.978009E+00
    6.2250  1.215570E+01  3.022190E+00
    6.2750  1.143324E+01  3.064416E+00
    6.3250  1.163610E+01  3.108078E+00
    6.3750  1.110877E+01  3.150423E+00
    6.4250  1.009131E+01  3.189496E+00
    6.4750  1.063636E+01  3.231322E+00
    6.5250  1.122354E+01  3.276141E+00
    6.5750  1.040387E+01  3.318327E+00
    6.6250  1.012139E+01  3.359994E+00
    6.6750  1.041918E+01  3.403536E+00
    6.7250  9.888479E+00  3.445482E+00
    6.7750  8.667711E+00  3.482799E+00
    6.8250  9.180624E+00  3.522909E+00
    6.8750  8.525425E+00  3.560704E+00
    6.9250  8.757680E+00  3.600096E+00
    6.9750  8.711289E+00  3.639847E+00
    7.0250  7.880705E+00  3.676325E+00
    7.0750  7.931226E+00  3.713562E+00
    7.1250  7.677809E+00  3.750120E+00
    7.1750  7.215759E+00  3.784962E+00
    7.2250  7.156991E+00  3.820003E+00
    7.2750  6.656961E+00  3.853049E+00
    7.3250  6.510878E+00  3.885816E+00
    7.3750  6.156904E+00  3.917225E+00
    7.4250  5.997080E+00  3.948236E+00
    7.4750  6.198888E+00  3.980723E+00
    7.5250  6.830660E+00  4.017002E+00
    7.5750  5.999224E+00  4.049290E+00
    7.6250  5.759793E+00  4.080699E+00
    7.6750  6.154527E+00  4.114703E+00
    7.7250  6.075115E+00  4.148707E+00
    7.7750  5.680475E+00  4.180915E+00
    7.8250  4.996571E+00  4.209610E+00
    7.8750  5.345007E+00  4.240701E+00
    7.9250  5.704604E+00  4.274306E+00
    7.9750  5.118138E+00  4.304837E+00
    8.0250  5.404745E+00  4.337484E+00
    8.0750  4.881222E+00  4.367337E+00
    8.1250  4.260560E+00  4.393718E+00
    8.1750  4.463284E+00  4.421695E+00
    8.2250  4.233068E+00  4.448555E+00
    8.2750  4.200710E+00  4.475535E+00
    8.3250  4.162682E+00  4.502594E+00
    8.3750  3.912931E+00  4.528337E+00
    8.4250  3.950551E+00  4.554638E+00
    8.4750  4.141044E+00  4.582535E+00
    8.5250  4.069192E+00  4.610273E+00
    8.5750  3.611008E+00  4.635177E+00
    8.6250  3.655063E+00  4.660680E+00
    8.6750  3.646976E+00  4.686422E+00
    8.7250  3.409661E+00  4.710768E+00
    8.7750  3.033823E+00  4.732679E+00
    8.8250  3.310971E+00  4.756865E+00
    8.8750  3.241356E+00  4.780811E+00
    8.9250  2.879284E+00  4.802323E+00
    8.9750  2.836728E+00  4.823755E+00
    9.0250  2.810607E+00  4.845227E+00
    9.0750  2.588551E+00  4.865222E+00
    9.1250  2.611364E+00  4.885616E+00
    9.1750  2.522323E+00  4.905532E+00
    9.2250  2.185048E+00  4.922973E+00
    9.2750  2.389085E+00  4.942249E+00
    9.3250  2.158009E+00  4.959850E+00
    9.3750  1.859093E+00  4.975176E+00
    9.4250  1.925643E+00  4.991220E+00
    9.4750  1.910113E+00  5.007304E+00
    9.5250  1.707198E+00  5.021831E+00
    9.5750  1.768316E+00  5.037037E+00
    9.6250  1.681094E+00  5.051644E+00
    9.6750  1.513752E+00  5.064935E+00
    9.7250  1.606207E+00  5.079183E+00
    9.7750  1.549737E+00  5.093072E+00
    9.8250  1.379722E+00  5.105564E+00
    9.8750  1.309060E+00  5.117537E+00
    9.9250  1.697634E+00  5.133222E+00
    9.9750  1.415516E+00  5.146432E+00
   10.0250  1.265945E+00  5.158365E+00
   10.0750  1.341443E+00  5.171137E+00
   10.1250  1.216158E+00  5.182830E+00
   10.1750  1.142585E+00  5.193926E+00
   10.2250  1.208766E+00  5.205779E+00
   10.2750  1.124483E+00  5.216914E+00
   10.3250  1.201431E+00  5.228927E+00
   10.3750  1.098958E+00  5.240022E+00
   10.4250  1.096272E+00  5.251197E+00
   10.4750  9.345909E-01  5.260816E+00
   10.5250  9.871916E-01  5.271073E+00
   10.5750  9.930985E-01  5.281489E+00
   10.6250  9.423120E-01  5.291467E+00
   10.6750  7.542723E-01  5.299529E+00
   10.7250  7.509552E-01  5.307631E+00
   10.7750  7.806523E-01  5.316132E+00
   10.8250  8.242950E-01  5.325192E+00
   10.8750  8.311244E-01  5.334411E+00
   10.9250  8.520550E-01  5.343950E+00
   10.9750  8.584398E-01  5.353648E+00
   11.0250  7.841578E-01  5.362588E+00
   11.0750  6.175117E-01  5.369692E+00
   11.1250  6.669823E-01  5.377435E+00
   11.1750  6.610272E-01  5.385177E+00
   11.2250  6.011183E-01  5.392281E+00
   11.2750  4.920360E-01  5.398148E+00
   11.3250  6.369971E-01  5.405811E+00
   11.3750  5.327517E-01  5.412277E+00
   11.4250  4.857206E-01  5.418223E+00
   11.4750  4.168665E-01  5.423372E+00
   11.5250  4.164608E-01  5.428560E+00
   11.5750  3.938151E-01  5.433509E+00
   11.6250  3.998808E-01  5.438578E+00
   11.6750  3.090538E-01  5.442529E+00
   11.7250  3.497562E-01  5.447039E+00
   11.7750  3.130337E-01  5.451110E+00
   11.8250  2.708323E-01  5.454662E+00
   11.8750  2.745914E-01  5.458293E+00
   11.9250  2.333945E-01  5.461406E+00
   11.9750  2.106784E-01  5.464240E+00
   12.0250  1.736179E-01  5.466595E+00
   12.0750  1.809382E-01  5.469069E+00
   12.1250  1.157735E-01  5.470666E+00
   12.1750  9.473027E-02  5.471983E+00
   12.2250  1.395119E-01  5.473938E+00
   12.2750  5.365663E-02  5.474697E+00
   12.3250  9.804083E-02  5.476094E+00
   12.3750  1.194788E-01  5.477810E+00
   12.4250  8.544402E-02  5.479047E+00
   12.4750  6.288680E-02  5.479965E+00
   12.5250  4.339876E-02  5.480603E+00
   12.5750  6.189059E-02  5.481521E+00
   12.6250  7.741908E-02  5.482679E+00
   12.6750  6.091787E-02  5.483597E+00
   12.7250  8.409055E-02  5.484874E+00
   12.7750  8.343360E-02  5.486151E+00
   12.8250  8.019730E-02  5.487388E+00
   12.8750  7.187476E-02  5.488506E+00
   12.9250  6.877261E-02  5.489583E+00
   12.9750  1.036292E-01  5.491220E+00
   13.0250  7.524517E-02  5.492417E+00
   13.0750  4.480247E-02  5.493135E+00
   13.1250  4.940196E-02  5.493934E+00
   13.1750  5.147909E-02  5.494772E+00
   13.2250  7.055365E-02  5.495929E+00
   13.2750  5.553562E-02  5.496847E+00
   13.3250  4.313710E-02  5.497565E+00
   13.3750  2.140759E-02  5.497925E+00
   13.4250  2.360936E-02  5.498324E+00
   13.4750  2.577793E-02  5.498763E+00
   13.5250  1.395692E-02  5.499002E+00
   13.5750  4.618099E-03  5.499082E+00
   13.6250  6.876400E-03  5.499202E+00
   13.6750  1.365241E-02  5.499441E+00
   13.7250  2.258854E-03  5.499481E+00
   13.7750  6.727457E-03  5.499601E+00
   13.8250  4.452589E-03  5.499681E+00
   13.8750  1.326167E-02  5.499920E+00
   13.9250  0.000000E+00  5.499920E+00
   13.9750  4.357519E-03  5.500000E+00

g(r)  :C       O       

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  3.208598E-01  1.995530E-04
    2.6250  8.645093E-01  7.583014E-04
    2.6750  2.378555E+00  2.354725E-03
    2.7250  5.615575E+00  6.265964E-03
    2.7750  8.840883E+00  1.265166E-02
    2.8250  1.375577E+01  2.294860E-02
    2.8750  1.637019E+01  3.564017E-02
    2.9250  1.865015E+01  5.060664E-02
    2.9750  1.899006E+01  6.637133E-02
    3.0250  2.018099E+01  8.369253E-02
    3.0750  1.845004E+01  1.000559E-01
    3.1250  2.004296E+01  1.184148E-01
    3.1750  1.924783E+01  1.366140E-01
    3.2250  1.648733E+01  1.526980E-01
    3.2750  1.797134E+01  1.707775E-01
    3.3250  1.797375E+01  1.894157E-01
    3.3750  1.740780E+01  2.080140E-01
    3.4250  1.846300E+01  2.283285E-01
    3.4750  1.913357E+01  2.500000E-01
    3.5250  2.061505E+01  2.740262E-01
    3.5750  2.247284E+01  3.009658E-01
    3.6250  2.558100E+01  3.324952E-01
    3.6750  2.816628E+01  3.681753E-01
    3.7250  3.201510E+01  4.098420E-01
    3.7750  3.648752E+01  4.586127E-01
    3.8250  3.804101E+01  5.108158E-01
    3.8750  4.273319E+01  5.710010E-01
    3.9250  4.543537E+01  6.366539E-01
    3.9750  4.459577E+01  7.027458E-01
    4.0250  4.415132E+01  7.698356E-01
    4.0750  4.440698E+01  8.390006E-01
    4.1250  4.328697E+01  9.080859E-01
    4.1750  4.010816E+01  9.736590E-01
    4.2250  3.749588E+01  1.036438E+00
    4.2750  3.043069E+01  1.088602E+00
    4.3250  2.584132E+01  1.133940E+00
    4.3750  2.127475E+01  1.172134E+00
    4.4250  2.031860E+01  1.209451E+00
    4.4750  1.776352E+01  1.242816E+00
    4.5250  1.386110E+01  1.269436E+00
    4.5750  1.276693E+01  1.294500E+00
    4.6250  1.283055E+01  1.320243E+00
    4.6750  1.456289E+01  1.350096E+00
    4.7250  1.595259E+01  1.383501E+00
    4.7750  1.414594E+01  1.413753E+00
    4.8250  9.888083E+00  1.435345E+00
    4.8750  7.752615E+00  1.452626E+00
    4.9250  7.280233E+00  1.469189E+00
    4.9750  8.166146E+00  1.488147E+00
    5.0250  8.206663E+00  1.507583E+00
    5.0750  8.425738E+00  1.527937E+00
    5.1250  8.424139E+00  1.548691E+00
    5.1750  8.850025E+00  1.570921E+00
    5.2250  8.774975E+00  1.593391E+00
    5.2750  9.358723E+00  1.617816E+00
    5.3250  9.288843E+00  1.642521E+00
    5.3750  1.002999E+01  1.669700E+00
    5.4250  1.052549E+01  1.698755E+00
    5.4750  1.033412E+01  1.727810E+00
    5.5250  1.042671E+01  1.757663E+00
    5.5750  1.092505E+01  1.789511E+00
    5.6250  1.156549E+01  1.823835E+00
    5.6750  1.096622E+01  1.856960E+00
    5.7250  1.255412E+01  1.895554E+00
    5.7750  1.242698E+01  1.934427E+00
    5.8250  1.384484E+01  1.978488E+00
    5.8750  1.374580E+01  2.022989E+00
    5.9250  1.350266E+01  2.067449E+00
    5.9750  1.250289E+01  2.109315E+00
    6.0250  1.292922E+01  2.153337E+00
    6.0750  1.263656E+01  2.197079E+00
    6.1250  1.201143E+01  2.239344E+00
    6.1750  1.249842E+01  2.284044E+00
    6.2250  1.282553E+01  2.330659E+00
    6.2750  1.245985E+01  2.376676E+00
    6.3250  1.219982E+01  2.422454E+00
    6.3750  1.203014E+01  2.468311E+00
    6.4250  1.207040E+01  2.515046E+00
    6.4750  1.133665E+01  2.559626E+00
    6.5250  1.090373E+01  2.603169E+00
    6.5750  1.154563E+01  2.649984E+00
    6.6250  1.073216E+01  2.694165E+00
    6.6750  1.080119E+01  2.739304E+00
    6.7250  1.064117E+01  2.784443E+00
    6.7750  1.069790E+01  2.830500E+00
    6.8250  9.728721E+00  2.873004E+00
    6.8750  1.001985E+01  2.917425E+00
    6.9250  1.033708E+01  2.963921E+00
    6.9750  1.106404E+01  3.014408E+00
    7.0250  1.221768E+01  3.070961E+00
    7.0750  1.219012E+01  3.128193E+00
    7.1250  1.201963E+01  3.185425E+00
    7.1750  1.201800E+01  3.243455E+00
    7.2250  1.102894E+01  3.297454E+00
    7.2750  1.058039E+01  3.349976E+00
    7.3250  1.007957E+01  3.400702E+00
    7.3750  9.035863E+00  3.446799E+00
    7.4250  9.022634E+00  3.493455E+00
    7.4750  8.521567E+00  3.538115E+00
    7.5250  7.972860E+00  3.580460E+00
    7.5750  7.749306E+00  3.622166E+00
    7.6250  6.945417E+00  3.660042E+00
    7.6750  6.624062E+00  3.696640E+00
    7.7250  6.303288E+00  3.731920E+00
    7.7750  5.603045E+00  3.763689E+00
    7.8250  5.531670E+00  3.795458E+00
    7.8750  5.866471E+00  3.829582E+00
    7.9250  5.630078E+00  3.862747E+00
    7.9750  5.245255E+00  3.894037E+00
    8.0250  4.935629E+00  3.923851E+00
    8.0750  4.874696E+00  3.953664E+00
    8.1250  5.027590E+00  3.984794E+00
    8.1750  4.667029E+00  4.014049E+00
    8.2250  4.579010E+00  4.043103E+00
    8.2750  4.300136E+00  4.070722E+00
    8.3250  4.224079E+00  4.098180E+00
    8.3750  4.349723E+00  4.126796E+00
    8.4250  4.214321E+00  4.154853E+00
    8.4750  3.832984E+00  4.180675E+00
    8.5250  3.922818E+00  4.207415E+00
    8.5750  4.039237E+00  4.235273E+00
    8.6250  4.209900E+00  4.264647E+00
    8.6750  3.986230E+00  4.292784E+00
    8.7250  4.220154E+00  4.322917E+00
    8.7750  4.304824E+00  4.354007E+00
    8.8250  4.234328E+00  4.384938E+00
    8.8750  4.192154E+00  4.415908E+00
    8.9250  4.220101E+00  4.447438E+00
    8.9750  3.872107E+00  4.476692E+00
    9.0250  3.756183E+00  4.505388E+00
    9.0750  3.637405E+00  4.533485E+00
    9.1250  3.418792E+00  4.560185E+00
    9.1750  3.457453E+00  4.587484E+00
    9.2250  3.370074E+00  4.614384E+00
    9.2750  3.254696E+00  4.640645E+00
    9.3250  3.029042E+00  4.665350E+00
    9.3750  3.214681E+00  4.691850E+00
    9.4250  3.099231E+00  4.717672E+00
    9.4750  3.147183E+00  4.744173E+00
    9.5250  2.842203E+00  4.768359E+00
    9.5750  2.868292E+00  4.793024E+00
    9.6250  2.912059E+00  4.818327E+00
    9.6750  2.982046E+00  4.844508E+00
    9.7250  2.654515E+00  4.868056E+00
    9.7750  2.609615E+00  4.891443E+00
    9.8250  2.521409E+00  4.914272E+00
    9.8750  2.439215E+00  4.936582E+00
    9.9250  2.103683E+00  4.956019E+00
    9.9750  2.116859E+00  4.975774E+00
   10.0250  2.142369E+00  4.995969E+00
   10.0750  2.234342E+00  5.017241E+00
   10.1250  1.975738E+00  5.036239E+00
   10.1750  2.026239E+00  5.055915E+00
   10.2250  1.713436E+00  5.072717E+00
   10.2750  1.712923E+00  5.089679E+00
   10.3250  1.624527E+00  5.105923E+00
   10.3750  1.727499E+00  5.123364E+00
   10.4250  1.444730E+00  5.138091E+00
   10.4750  1.423215E+00  5.152738E+00
   10.5250  1.490390E+00  5.168223E+00
   10.5750  1.362181E+00  5.182511E+00
   10.6250  1.338083E+00  5.196679E+00
   10.6750  1.284503E+00  5.210409E+00
   10.7250  1.283652E+00  5.224258E+00
   10.7750  1.202131E+00  5.237348E+00
   10.8250  1.111164E+00  5.249561E+00
   10.8750  1.104568E+00  5.261814E+00
   10.9250  9.875282E-01  5.272869E+00
   10.9750  8.337111E-01  5.282288E+00
   11.0250  7.841578E-01  5.291228E+00
   11.0750  7.736242E-01  5.300128E+00
   11.1250  7.666859E-01  5.309028E+00
   11.1750  7.121375E-01  5.317369E+00
   11.2250  7.564635E-01  5.326309E+00
   11.2750  6.259234E-01  5.333772E+00
   11.3250  5.872317E-01  5.340837E+00
   11.3750  6.182551E-01  5.348340E+00
   11.4250  6.291549E-01  5.356042E+00
   11.4750  6.139894E-01  5.363625E+00
   11.5250  6.182842E-01  5.371328E+00
   11.5750  5.780190E-01  5.378592E+00
   11.6250  6.706661E-01  5.387093E+00
   11.6750  5.088462E-01  5.393598E+00
   11.7250  5.447531E-01  5.400623E+00
   11.7750  4.910332E-01  5.407008E+00
   11.8250  4.473297E-01  5.412875E+00
   11.8750  4.224483E-01  5.418463E+00
   11.9250  4.099364E-01  5.423930E+00
   11.9750  3.649781E-01  5.428839E+00
   12.0250  2.972104E-01  5.432870E+00
   12.0750  2.743256E-01  5.436622E+00
   12.1250  2.575961E-01  5.440174E+00
   12.1750  2.727083E-01  5.443966E+00
   12.2250  3.074955E-01  5.448276E+00
   12.2750  2.598110E-01  5.451948E+00
   12.3250  1.764735E-01  5.454462E+00
   12.3750  2.417362E-01  5.457934E+00
   12.4250  2.260132E-01  5.461207E+00
   12.4750  1.367104E-01  5.463202E+00
   12.5250  1.600329E-01  5.465557E+00
   12.5750  1.318539E-01  5.467513E+00
   12.6250  1.201331E-01  5.469309E+00
   12.6750  1.297815E-01  5.471264E+00
   12.7250  1.129967E-01  5.472981E+00
   12.7750  1.042920E-01  5.474577E+00
   12.8250  1.112414E-01  5.476293E+00
   12.8750  1.026782E-01  5.477890E+00
   12.9250  8.405541E-02  5.479207E+00
   12.9750  8.593637E-02  5.480564E+00
   13.0250  9.781872E-02  5.482120E+00
   13.0750  6.969273E-02  5.483238E+00
   13.1250  9.139363E-02  5.484714E+00
   13.1750  4.657632E-02  5.485473E+00
   13.2250  7.298654E-02  5.486670E+00
   13.2750  5.070644E-02  5.487508E+00
   13.3250  4.313710E-02  5.488226E+00
   13.3750  6.184415E-02  5.489264E+00
   13.4250  6.846715E-02  5.490421E+00
   13.4750  4.218206E-02  5.491140E+00
   13.5250  6.513229E-02  5.492257E+00
   13.5750  4.849004E-02  5.493095E+00
   13.6250  4.125840E-02  5.493814E+00
   13.6750  4.323265E-02  5.494572E+00
   13.7250  4.743594E-02  5.495410E+00
   13.7750  2.466734E-02  5.495849E+00
   13.8250  1.781036E-02  5.496169E+00
   13.8750  1.989250E-02  5.496528E+00
   13.9250  4.827755E-02  5.497406E+00
   13.9750  3.268139E-02  5.498004E+00

g(r)  :C       K       

        r      g(r)         n(r)

    3.1250  0.000000E+00  0.000000E+00
    3.1750  0.000000E+00  0.000000E+00
    3.2250  2.181946E-01  1.197318E-04
    3.2750  3.526386E-01  3.192848E-04
    3.3250  3.421128E-01  5.188378E-04
    3.3750  9.297440E-01  1.077586E-03
    3.4250  1.031768E+00  1.716156E-03
    3.4750  1.503436E+00  2.674010E-03
    3.5250  2.983056E+00  4.629630E-03
    3.5750  4.675831E+00  7.782567E-03
    3.6250  4.490167E+00  1.089559E-02
    3.6750  6.833281E+00  1.576469E-02
    3.7250  8.341098E+00  2.187101E-02
    3.7750  1.146580E+01  3.049170E-02
    3.8250  1.313274E+01  4.062899E-02
    3.8750  1.234262E+01  5.040709E-02
    3.9250  1.369966E+01  6.154215E-02
    3.9750  1.196881E+01  7.151980E-02
    4.0250  1.083282E+01  8.077905E-02
    4.0750  1.043195E+01  8.991858E-02
    4.1250  7.735473E+00  9.686303E-02
    4.1750  7.290914E+00  1.035680E-01
    4.2250  6.187073E+00  1.093950E-01
    4.2750  4.387524E+00  1.136255E-01
    4.3250  3.518301E+00  1.170977E-01
    4.3750  3.754513E+00  1.208892E-01
    4.4250  3.399714E+00  1.244013E-01
    4.4750  2.870872E+00  1.274345E-01
    4.5250  2.696945E+00  1.303480E-01
    4.5750  3.541852E+00  1.342593E-01
    4.6250  3.465686E+00  1.381705E-01
    4.6750  3.565010E+00  1.422813E-01
    4.7250  3.320544E+00  1.461925E-01
    4.7750  3.118660E+00  1.499441E-01
    4.8250  2.924387E+00  1.535361E-01
    4.8750  2.705557E+00  1.569285E-01
    4.9250  2.276656E+00  1.598420E-01
    4.9750  2.139435E+00  1.626357E-01
    5.0250  2.276820E+00  1.656689E-01
    5.0750  2.584627E+00  1.691810E-01
    5.1250  2.505641E+00  1.726533E-01
    5.1750  2.739924E+00  1.765246E-01
    5.2250  2.299816E+00  1.798372E-01
    5.2750  2.501097E+00  1.835089E-01
    5.3250  2.454349E+00  1.871807E-01
    5.3750  2.513634E+00  1.910121E-01
    5.4250  2.544623E+00  1.949633E-01
    5.4750  2.195527E+00  1.984355E-01
    5.5250  1.660344E+00  2.011095E-01
    5.5750  1.874083E+00  2.041826E-01
    5.6250  1.267123E+00  2.062979E-01
    5.6750  1.409313E+00  2.086925E-01
    5.7250  1.615605E+00  2.114863E-01
    5.7750  1.497022E+00  2.141204E-01
    5.8250  1.516021E+00  2.168343E-01
    5.8750  1.073912E+00  2.187899E-01
    5.9250  1.529924E+00  2.216236E-01
    5.9750  1.271346E+00  2.240182E-01
    6.0250  1.417043E+00  2.267321E-01
    6.0750  1.188841E+00  2.290469E-01
    6.1250  1.391315E+00  2.318008E-01
    6.1750  1.091132E+00  2.339958E-01
    6.2250  1.034631E+00  2.361111E-01
    6.2750  1.114267E+00  2.384259E-01
    6.3250  9.076298E-01  2.403416E-01
    6.3750  8.562214E-01  2.421775E-01
    6.4250  8.246220E-01  2.439735E-01
    6.4750  5.954195E-01  2.452905E-01
    6.5250  4.086538E-01  2.462085E-01
    6.5750  5.424490E-01  2.474457E-01
    6.6250  3.964102E-01  2.483637E-01
    6.6750  3.056038E-01  2.490821E-01
    6.7250  4.181617E-01  2.500798E-01
    6.7750  2.801684E-01  2.507583E-01
    6.8250  3.085583E-01  2.515166E-01
    6.8750  2.720774E-01  2.521951E-01
    6.9250  2.366141E-01  2.527937E-01
    6.9750  2.176850E-01  2.533525E-01
    7.0250  2.759109E-01  2.540709E-01
    7.0750  3.324749E-01  2.549489E-01
    7.1250  2.235170E-01  2.555476E-01
    7.1750  2.498010E-01  2.562261E-01
    7.2250  2.028810E-01  2.567848E-01
    7.2750  1.429299E-01  2.571839E-01
    7.3250  1.832809E-01  2.577027E-01
    7.3750  2.225282E-01  2.583413E-01
    7.4250  2.195413E-01  2.589799E-01
    7.4750  2.166141E-01  2.596185E-01
    7.5250  2.404633E-01  2.603368E-01
    7.5750  1.845661E-01  2.608956E-01
    7.6250  1.040877E-01  2.612149E-01
    7.6750  1.284200E-01  2.616140E-01
    7.7250  1.774681E-01  2.621727E-01
    7.7750  1.877067E-01  2.627714E-01
    7.8250  3.582768E-01  2.639288E-01
    7.8750  3.293457E-01  2.650064E-01
    7.9250  4.095150E-01  2.663633E-01
    7.9750  3.568201E-01  2.675607E-01
    8.0250  4.346114E-01  2.690374E-01
    8.0750  3.712397E-01  2.703145E-01
    8.1250  3.552257E-01  2.715517E-01
    8.1750  3.735321E-01  2.728688E-01
    8.2250  4.808240E-01  2.745849E-01
    8.2750  2.651336E-01  2.755428E-01
    8.3250  2.837882E-01  2.765805E-01
    8.3750  3.559048E-01  2.778975E-01
    8.4250  3.943224E-01  2.793742E-01
    8.4750  4.739393E-01  2.811702E-01
    8.5250  6.037106E-01  2.834850E-01
    8.5750  4.012231E-01  2.850415E-01
    8.6250  3.965848E-01  2.865980E-01
    8.6750  4.824940E-01  2.885137E-01
    8.7250  6.160990E-01  2.909882E-01
    8.7750  6.189221E-01  2.935026E-01
    8.8250  6.022155E-01  2.959770E-01
    8.8750  8.451536E-01  2.994891E-01
    8.9250  9.686646E-01  3.035600E-01
    8.9750  9.954666E-01  3.077905E-01
    9.0250  9.101676E-01  3.117018E-01
    9.0750  7.991269E-01  3.151740E-01
    9.1250  8.267333E-01  3.188059E-01
    9.1750  7.099123E-01  3.219588E-01
    9.2250  7.555722E-01  3.253512E-01
    9.2750  8.265894E-01  3.291028E-01
    9.3250  8.003500E-01  3.327746E-01
    9.3750  8.004426E-01  3.364863E-01
    9.4250  7.834566E-01  3.401580E-01
    9.4750  9.774384E-01  3.447877E-01
    9.5250  8.421341E-01  3.488186E-01
    9.5750  1.072644E+00  3.540070E-01
    9.6250  9.145478E-01  3.584770E-01
    9.6750  8.808753E-01  3.628273E-01
    9.7250  9.518261E-01  3.675766E-01
    9.7750  1.060868E+00  3.729246E-01
    9.8250  9.168761E-01  3.775942E-01
    9.8750  8.765852E-01  3.821041E-01
    9.9250  8.063400E-01  3.862947E-01
    9.9750  7.374556E-01  3.901660E-01
   10.0250  8.806575E-01  3.948356E-01
   10.0750  7.899611E-01  3.990661E-01
   10.1250  9.150010E-01  4.040150E-01
   10.1750  7.891233E-01  4.083254E-01
   10.2250  5.860685E-01  4.115581E-01
   10.2750  6.090392E-01  4.149505E-01
   10.3250  5.605792E-01  4.181034E-01
   10.3750  6.324938E-01  4.216954E-01
   10.4250  5.777181E-01  4.250080E-01
   10.4750  6.273694E-01  4.286398E-01
   10.5250  7.306840E-01  4.329103E-01
   10.5750  7.373196E-01  4.372605E-01
   10.6250  6.968920E-01  4.414112E-01
   10.6750  7.102939E-01  4.456817E-01
   10.7250  9.207113E-01  4.512692E-01
   10.7750  9.773425E-01  4.572557E-01
   10.8250  9.360569E-01  4.630428E-01
   10.8750  9.914327E-01  4.692289E-01
   10.9250  9.570269E-01  4.752554E-01
   10.9750  8.478418E-01  4.806434E-01
   11.0250  9.272977E-01  4.865900E-01
   11.0750  9.744504E-01  4.928959E-01
   11.1250  1.045168E+00  4.997206E-01
   11.1750  1.187274E+00  5.075431E-01
   11.2250  1.110681E+00  5.149266E-01
   11.2750  1.148456E+00  5.226293E-01
   11.3250  1.215013E+00  5.308509E-01
   11.3750  1.052349E+00  5.380348E-01
   11.4250  9.967958E-01  5.448994E-01
   11.4750  1.148986E+00  5.528815E-01
   11.5250  9.852681E-01  5.597861E-01
   11.5750  9.824205E-01  5.667305E-01
   11.6250  9.683901E-01  5.736351E-01
   11.6750  1.093308E+00  5.814974E-01
   11.7250  1.150034E+00  5.898388E-01
   11.7750  1.020258E+00  5.973020E-01
   11.8250  1.092796E+00  6.053640E-01
   11.8750  1.180173E+00  6.141443E-01
   11.9250  9.521962E-01  6.212883E-01
   11.9750  9.600869E-01  6.285520E-01
   12.0250  9.521195E-01  6.358158E-01
   12.0750  9.650035E-01  6.432391E-01
   12.1250  9.622066E-01  6.507024E-01
   12.1750  9.543197E-01  6.581657E-01
   12.2250  9.465294E-01  6.656290E-01
   12.2750  7.530755E-01  6.716156E-01
   12.3250  1.000950E+00  6.796376E-01
   12.3750  9.780589E-01  6.875399E-01
   12.4250  8.722028E-01  6.946440E-01
   12.4750  8.263387E-01  7.014288E-01
   12.5250  8.486868E-01  7.084531E-01
   12.5750  9.711142E-01  7.165549E-01
   12.6250  1.053611E+00  7.254151E-01
   12.6750  1.078276E+00  7.345546E-01
   12.7250  1.121207E+00  7.441331E-01
   12.7750  1.172706E+00  7.542305E-01
   12.8250  1.306153E+00  7.655651E-01
   12.8750  1.387297E+00  7.776980E-01
   12.9250  1.358471E+00  7.896711E-01
   12.9750  1.321061E+00  8.014049E-01
   13.0250  1.150415E+00  8.117018E-01
   13.0750  1.208007E+00  8.225974E-01
   13.1250  1.238343E+00  8.338522E-01
   13.1750  1.067715E+00  8.436303E-01
   13.2250  1.180760E+00  8.545259E-01
   13.2750  1.081737E+00  8.645833E-01
   13.3250  1.060853E+00  8.745211E-01
   13.3750  9.091619E-01  8.831019E-01
   13.4250  9.821495E-01  8.924409E-01
   13.4750  9.623760E-01  9.016603E-01
   13.5250  9.511382E-01  9.108397E-01
   13.5750  9.071998E-01  9.196600E-01
   13.6250  1.047250E+00  9.299170E-01
   13.6750  8.333029E-01  9.381386E-01
   13.7250  9.276361E-01  9.473579E-01
   13.7750  9.687538E-01  9.570562E-01
   13.8250  9.103071E-01  9.662356E-01
   13.8750  8.683937E-01  9.750559E-01
   13.9250  9.284894E-01  9.845546E-01
   13.9750  9.877043E-01  9.947318E-01

g(r)  :C       cl      

        r      g(r)         n(r)

    6.6250  0.000000E+00  0.000000E+00
    6.6750  0.000000E+00  0.000000E+00
    6.7250  1.672647E-02  3.991060E-05
    6.7750  8.240248E-02  2.394636E-04
    6.8250  0.000000E+00  2.394636E-04
    6.8750  1.600455E-02  2.793742E-04
    6.9250  1.577427E-02  3.192848E-04
    6.9750  0.000000E+00  3.192848E-04
    7.0250  1.532838E-02  3.591954E-04
    7.0750  1.511249E-02  3.991060E-04
    7.1250  1.490113E-02  4.390166E-04
    7.1750  0.000000E+00  4.390166E-04
    7.2250  1.449150E-02  4.789272E-04
    7.2750  0.000000E+00  4.789272E-04
    7.3250  1.409853E-02  5.188378E-04
    7.3750  0.000000E+00  5.188378E-04
    7.4250  2.744267E-02  5.986590E-04
    7.4750  4.061515E-02  7.183908E-04
    7.5250  1.335907E-02  7.583014E-04
    7.5750  2.636659E-02  8.381226E-04
    7.6250  2.602194E-02  9.179438E-04
    7.6750  2.568399E-02  9.977650E-04
    7.7250  8.873407E-02  1.277139E-03
    7.7750  6.256891E-02  1.476692E-03
    7.8250  1.729612E-01  2.035441E-03
    7.8750  1.463759E-01  2.514368E-03
    7.9250  8.431191E-02  2.793742E-03
    7.9750  1.546220E-01  3.312580E-03
    8.0250  7.047752E-02  3.552043E-03
    8.0750  2.320248E-01  4.350255E-03
    8.1250  1.031301E-01  4.709451E-03
    8.1750  2.150639E-01  5.467752E-03
    8.2250  1.230015E-01  5.906769E-03
    8.2750  1.215196E-01  6.345785E-03
    8.3250  2.073837E-01  7.104087E-03
    8.3750  2.049149E-01  7.862388E-03
    8.4250  2.238046E-01  8.700511E-03
    8.4750  1.895757E-01  9.418902E-03
    8.5250  1.249056E-01  9.897829E-03
    8.5750  2.057555E-01  1.069604E-02
    8.6250  2.847275E-01  1.181354E-02
    8.6750  2.110911E-01  1.265166E-02
    8.7250  2.285528E-01  1.356960E-02
    8.7750  2.750765E-01  1.468710E-02
    8.8250  3.399604E-01  1.608397E-02
    8.8750  4.129728E-01  1.780013E-02
    8.9250  4.368487E-01  1.963602E-02
    8.9750  2.723446E-01  2.079342E-02
    9.0250  2.879102E-01  2.203065E-02
    9.0750  3.857854E-01  2.370690E-02
    9.1250  2.998044E-01  2.502395E-02
    9.1750  3.414768E-01  2.654055E-02
    9.2250  3.377852E-01  2.805715E-02
    9.2750  4.396752E-01  3.005268E-02
    9.3250  5.132679E-01  3.240741E-02
    9.3750  3.012419E-01  3.380428E-02
    9.4250  2.810225E-01  3.512133E-02
    9.4750  2.527858E-01  3.631865E-02
    9.5250  3.168425E-01  3.783525E-02
    9.5750  3.052910E-01  3.931194E-02
    9.6250  2.612994E-01  4.058908E-02
    9.6750  2.747684E-01  4.194604E-02
    9.7250  3.119430E-01  4.350255E-02
    9.7750  2.770923E-01  4.489943E-02
    9.8250  3.212985E-01  4.653576E-02
    9.8750  3.490826E-01  4.833174E-02
    9.9250  3.993303E-01  5.040709E-02
    9.9750  3.421186E-01  5.220307E-02
   10.0250  4.591462E-01  5.463761E-02
   10.0750  3.875281E-01  5.671296E-02
   10.1250  4.796376E-01  5.930715E-02
   10.1750  3.507215E-01  6.122286E-02
   10.2250  3.907123E-01  6.337803E-02
   10.2750  4.155797E-01  6.569285E-02
   10.3250  3.973726E-01  6.792784E-02
   10.3750  3.935517E-01  7.016284E-02
   10.4250  5.081135E-01  7.307631E-02
   10.4750  4.894860E-01  7.590996E-02
   10.5250  5.463058E-01  7.910281E-02
   10.5750  4.464504E-01  8.173691E-02
   10.6250  3.819504E-01  8.401181E-02
   10.6750  3.982956E-01  8.640645E-02
   10.7250  3.025194E-01  8.824234E-02
   10.7750  3.388121E-01  9.031769E-02
   10.8250  3.227783E-01  9.231322E-02
   10.8750  3.198170E-01  9.430875E-02
   10.9250  3.422480E-01  9.646392E-02
   10.9750  4.898641E-01  9.957695E-02
   11.0250  4.605371E-01  1.025303E-01
   11.0750  3.577096E-01  1.048451E-01
   11.1250  5.439764E-01  1.083972E-01
   11.1750  4.967169E-01  1.116699E-01
   11.2250  4.442722E-01  1.146232E-01
   11.2750  4.522417E-01  1.176564E-01
   11.3250  4.659516E-01  1.208094E-01
   11.3750  6.547950E-01  1.252794E-01
   11.4250  5.099885E-01  1.287915E-01
   11.4750  5.055539E-01  1.323036E-01
   11.5250  6.549470E-01  1.368934E-01
   11.5750  5.476712E-01  1.407647E-01
   11.6250  6.661181E-01  1.455140E-01
   11.6750  7.825201E-01  1.511414E-01
   11.7250  6.437991E-01  1.558110E-01
   11.7750  5.892399E-01  1.601213E-01
   11.8250  5.301686E-01  1.640326E-01
   11.8750  4.881624E-01  1.676644E-01
   11.9250  6.809001E-01  1.727730E-01
   11.9750  5.908227E-01  1.772430E-01
   12.0250  7.062425E-01  1.826309E-01
   12.0750  6.537121E-01  1.876596E-01
   12.1250  5.968768E-01  1.922893E-01
   12.1750  6.277076E-01  1.971983E-01
   12.2250  6.883850E-01  2.026261E-01
   12.2750  8.233625E-01  2.091715E-01
   12.3250  6.175016E-01  2.141204E-01
   12.3750  6.668584E-01  2.195083E-01
   12.4250  6.076019E-01  2.244572E-01
   12.4750  6.659318E-01  2.299250E-01
   12.5250  6.992022E-01  2.357120E-01
   12.5750  7.319235E-01  2.418183E-01
   12.6250  6.027417E-01  2.468870E-01
   12.6750  7.204200E-01  2.529933E-01
   12.7250  7.427999E-01  2.593391E-01
   12.7750  8.389712E-01  2.665629E-01
   12.8250  7.174641E-01  2.727890E-01
   12.8750  8.351162E-01  2.800926E-01
   12.9250  9.509299E-01  2.884738E-01
   12.9750  9.436151E-01  2.968550E-01
   13.0250  9.898920E-01  3.057152E-01
   13.0750  1.000035E+00  3.147350E-01
   13.1250  9.397351E-01  3.232759E-01
   13.1750  7.757273E-01  3.303799E-01
   13.2250  6.444441E-01  3.363266E-01
   13.2750  7.898400E-01  3.436702E-01
   13.3250  7.157563E-01  3.503752E-01
   13.3750  7.273295E-01  3.572398E-01
   13.4250  6.211886E-01  3.631466E-01
   13.4750  6.374179E-01  3.692529E-01
   13.5250  5.624122E-01  3.746807E-01
   13.5750  6.485863E-01  3.809866E-01
   13.6250  7.334826E-01  3.881705E-01
   13.6750  6.795869E-01  3.948755E-01
   13.7250  7.710222E-01  4.025383E-01
   13.7750  7.136088E-01  4.096823E-01
   13.8250  6.847093E-01  4.165868E-01
   13.8750  6.404895E-01  4.230923E-01
   13.9250  8.738723E-01  4.320322E-01
   13.9750  8.327703E-01  4.406130E-01

g(r)  :C       OW      

        r      g(r)         n(r)

    2.7250  0.000000E+00  0.000000E+00
    2.7750  0.000000E+00  0.000000E+00
    2.8250  1.627998E-03  7.982120E-05
    2.8750  0.000000E+00  7.982120E-05
    2.9250  5.315055E-03  3.591954E-04
    2.9750  7.339862E-03  7.583014E-04
    3.0250  1.490839E-02  1.596424E-03
    3.0750  1.511454E-02  2.474457E-03
    3.1250  2.062170E-02  3.711686E-03
    3.1750  2.899934E-02  5.507663E-03
    3.2250  4.871902E-02  8.620690E-03
    3.2750  5.511660E-02  1.225255E-02
    3.3250  5.699704E-02  1.612388E-02
    3.3750  8.041474E-02  2.175128E-02
    3.4250  9.026737E-02  2.825670E-02
    3.4750  1.124349E-01  3.659802E-02
    3.5250  1.343630E-01  4.685504E-02
    3.5750  1.585870E-01  5.930715E-02
    3.6250  1.977467E-01  7.527139E-02
    3.6750  2.395411E-01  9.514687E-02
    3.7250  2.921444E-01  1.200511E-01
    3.7750  3.455421E-01  1.503033E-01
    3.8250  3.978424E-01  1.860632E-01
    3.8750  4.053799E-01  2.234595E-01
    3.9250  4.145151E-01  2.626916E-01
    3.9750  3.971634E-01  3.012452E-01
    4.0250  3.384365E-01  3.349298E-01
    4.0750  3.442660E-01  3.700511E-01
    4.1250  3.084823E-01  4.022989E-01
    4.1750  2.936839E-01  4.337484E-01
    4.2250  2.885936E-01  4.653975E-01
    4.2750  3.085422E-01  5.000399E-01
    4.3250  2.872106E-01  5.330460E-01
    4.3750  2.830592E-01  5.663314E-01
    4.4250  2.607735E-01  5.977011E-01
    4.4750  2.724964E-01  6.312261E-01
    4.5250  2.611141E-01  6.640725E-01
    4.5750  2.709566E-01  6.989144E-01
    4.6250  2.848703E-01  7.363506E-01
    4.6750  2.808902E-01  7.740661E-01
    4.7250  3.110585E-01  8.167305E-01
    4.7750  2.920419E-01  8.576389E-01
    4.8250  3.044376E-01  9.011814E-01
    4.8750  3.233730E-01  9.483956E-01
    4.9250  3.085378E-01  9.943726E-01
    4.9750  3.254647E-01  1.043862E+00
    5.0250  3.475775E-01  1.097781E+00
    5.0750  3.589231E-01  1.154574E+00
    5.1250  3.685252E-01  1.214041E+00
    5.1750  3.958842E-01  1.279175E+00
    5.2250  4.152328E-01  1.348819E+00
    5.2750  3.978263E-01  1.416826E+00
    5.3250  3.963472E-01  1.485872E+00
    5.3750  4.083456E-01  1.558349E+00
    5.4250  4.233681E-01  1.634898E+00
    5.4750  4.145871E-01  1.711247E+00
    5.5250  4.596828E-01  1.797454E+00
    5.5750  4.247204E-01  1.878552E+00
    5.6250  4.385564E-01  1.963801E+00
    5.6750  4.296523E-01  2.048811E+00
    5.7250  4.467579E-01  2.138769E+00
    5.7750  4.727539E-01  2.235632E+00
    5.8250  4.842018E-01  2.336566E+00
    5.8750  4.808887E-01  2.438538E+00
    5.9250  5.098171E-01  2.548491E+00
    5.9750  4.878547E-01  2.655492E+00
    6.0250  5.091406E-01  2.769037E+00
    6.0750  4.930491E-01  2.880827E+00
    6.1250  5.215698E-01  3.001038E+00
    6.1750  5.109428E-01  3.120730E+00
    6.2250  5.071266E-01  3.241459E+00
    6.2750  5.228349E-01  3.367936E+00
    6.3250  5.262932E-01  3.497286E+00
    6.3750  5.439656E-01  3.633102E+00
    6.4250  5.570919E-01  3.774385E+00
    6.4750  5.719189E-01  3.921695E+00
    6.5250  5.712744E-01  4.071121E+00
    6.5750  5.947771E-01  4.229087E+00
    6.6250  5.975263E-01  4.390206E+00
    6.6750  5.964815E-01  4.553480E+00
    6.7250  5.978436E-01  4.719588E+00
    6.7750  5.981099E-01  4.888250E+00
    6.8250  5.937019E-01  5.058150E+00
    6.8750  5.985672E-01  5.231960E+00
    6.9250  6.184028E-01  5.414152E+00
    6.9750  6.169128E-01  5.598539E+00
    7.0250  6.181668E-01  5.785959E+00
    7.0750  6.206217E-01  5.976812E+00
    7.1250  6.147571E-01  6.168542E+00
    7.1750  6.203523E-01  6.364743E+00
    7.2250  6.409171E-01  6.570283E+00
    7.2750  6.453940E-01  6.780133E+00
    7.3250  6.378241E-01  6.990382E+00
    7.3750  6.616924E-01  7.211486E+00
    7.4250  6.518680E-01  7.432272E+00
    7.4750  6.689874E-01  7.661917E+00
    7.5250  6.866282E-01  7.900782E+00
    7.5750  6.727255E-01  8.137931E+00
    7.6250  6.535404E-01  8.371368E+00
    7.6750  6.794617E-01  8.617257E+00
    7.7250  6.776617E-01  8.865701E+00
    7.7750  6.810100E-01  9.118614E+00
    7.8250  6.866579E-01  9.376916E+00
    7.8750  7.134776E-01  9.648747E+00
    7.9250  7.016070E-01  9.919460E+00
    7.9750  7.251143E-01  1.020279E+01
    8.0250  7.011773E-01  1.048020E+01
    8.0750  7.007901E-01  1.076094E+01
    8.1250  7.123649E-01  1.104985E+01
    8.1750  7.120374E-01  1.134219E+01
    8.2250  7.348080E-01  1.164759E+01
    8.2750  7.194089E-01  1.195023E+01
    8.3250  7.410698E-01  1.226576E+01
    8.3750  7.341926E-01  1.258214E+01
    8.4250  7.340157E-01  1.290222E+01
    8.4750  7.235714E-01  1.322150E+01
    8.5250  7.541715E-01  1.355823E+01
    8.5750  7.464623E-01  1.389543E+01
    8.6250  7.427232E-01  1.423487E+01
    8.6750  7.471348E-01  1.458030E+01
    8.7250  7.384256E-01  1.492565E+01
    8.7750  7.727245E-01  1.529119E+01
    8.8250  7.693318E-01  1.565928E+01
    8.8750  7.721521E-01  1.603293E+01
    8.9250  7.844846E-01  1.641683E+01
    8.9750  7.686710E-01  1.679721E+01
    9.0250  7.790005E-01  1.718702E+01
    9.0750  7.882675E-01  1.758585E+01
    9.1250  7.949445E-01  1.799250E+01
    9.1750  8.066772E-01  1.840968E+01
    9.2250  8.082621E-01  1.883226E+01
    9.2750  8.229058E-01  1.926716E+01
    9.3250  8.065592E-01  1.969804E+01
    9.3750  8.257706E-01  2.014392E+01
    9.4250  8.280753E-01  2.059583E+01
    9.4750  8.276805E-01  2.105232E+01
    9.5250  8.319742E-01  2.151604E+01
    9.5750  8.471164E-01  2.199318E+01
    9.6250  8.446493E-01  2.247390E+01
    9.6750  8.545413E-01  2.296532E+01
    9.7250  8.454334E-01  2.345654E+01
    9.7750  8.397301E-01  2.394947E+01
    9.8250  8.482988E-01  2.445255E+01
    9.8750  8.461923E-01  2.495949E+01
    9.9250  8.515372E-01  2.547482E+01
    9.9750  8.651552E-01  2.600367E+01
   10.0250  8.548015E-01  2.653145E+01
   10.0750  8.691862E-01  2.707348E+01
   10.1250  8.670232E-01  2.761953E+01
   10.1750  8.787280E-01  2.817844E+01
   10.2250  8.741940E-01  2.873994E+01
   10.2750  9.021342E-01  2.932507E+01
   10.3250  9.029244E-01  2.991643E+01
   10.3750  9.115637E-01  3.051924E+01
   10.4250  9.167682E-01  3.113135E+01
   10.4750  9.176284E-01  3.174992E+01
   10.5250  9.242368E-01  3.237891E+01
   10.5750  9.181899E-01  3.300974E+01
   10.6250  9.088203E-01  3.364005E+01
   10.6750  9.077378E-01  3.427554E+01
   10.7250  9.086691E-01  3.491766E+01
   10.7750  9.238684E-01  3.557663E+01
   10.8250  9.438492E-01  3.625611E+01
   10.8750  9.234899E-01  3.692708E+01
   10.9250  9.499995E-01  3.762368E+01
   10.9750  9.410936E-01  3.832008E+01
   11.0250  9.375474E-01  3.902019E+01
   11.0750  9.217920E-01  3.971480E+01
   11.1250  9.356229E-01  4.042621E+01
   11.1750  9.247202E-01  4.113566E+01
   11.2250  9.267606E-01  4.185305E+01
   11.2750  9.286263E-01  4.257830E+01
   11.3250  9.521020E-01  4.332850E+01
   11.3750  9.472146E-01  4.408146E+01
   11.4250  9.556147E-01  4.484778E+01
   11.4750  9.516466E-01  4.561762E+01
   11.5250  9.424291E-01  4.638665E+01
   11.5750  9.556393E-01  4.717325E+01
   11.6250  9.580121E-01  4.796863E+01
   11.6750  9.565441E-01  4.876964E+01
   11.7250  9.604533E-01  4.958082E+01
   11.7750  9.764439E-01  5.041256E+01
   11.8250  9.645801E-01  5.124118E+01
   11.8750  9.646747E-01  5.207691E+01
   11.9250  9.685711E-01  5.292309E+01
   11.9750  9.692430E-01  5.377698E+01
   12.0250  9.912553E-01  5.465757E+01
   12.0750  9.913950E-01  5.554562E+01
   12.1250  9.778444E-01  5.642880E+01
   12.1750  9.851685E-01  5.732595E+01
   12.2250  9.785173E-01  5.822438E+01
   12.2750  9.818581E-01  5.913326E+01
   12.3250  9.972580E-01  6.006394E+01
   12.3750  9.971484E-01  6.100208E+01
   12.4250  9.895179E-01  6.194057E+01
   12.4750  1.010739E+00  6.290693E+01
   12.5250  1.000408E+00  6.387109E+01
   12.5750  1.005943E+00  6.484834E+01
   12.6250  1.015109E+00  6.584235E+01
   12.6750  1.006348E+00  6.683561E+01
   12.7250  1.013941E+00  6.784427E+01
   12.7750  1.017723E+00  6.886466E+01
   12.8250  1.017623E+00  6.989296E+01
   12.8750  1.022001E+00  7.093375E+01
   12.9250  1.031531E+00  7.199242E+01
   12.9750  1.017113E+00  7.304438E+01
   13.0250  1.021573E+00  7.410912E+01
   13.0750  1.045201E+00  7.520686E+01
   13.1250  1.039553E+00  7.630703E+01
   13.1750  1.038302E+00  7.741427E+01
   13.2250  1.048666E+00  7.854107E+01
   13.2750  1.048560E+00  7.967629E+01
   13.3250  1.050767E+00  8.082248E+01
   13.3750  1.052113E+00  8.197877E+01
   13.4250  1.066314E+00  8.315944E+01
   13.4750  1.057593E+00  8.433920E+01
   13.5250  1.065982E+00  8.553716E+01
   13.5750  1.066076E+00  8.674409E+01
   13.6250  1.073803E+00  8.796875E+01
   13.6750  1.059955E+00  8.918650E+01
   13.7250  1.075490E+00  9.043115E+01
   13.7750  1.056468E+00  9.166272E+01
   13.8250  1.063353E+00  9.291132E+01
   13.8750  1.063869E+00  9.416958E+01
   13.9250  1.060230E+00  9.543259E+01
   13.9750  1.060041E+00  9.670446E+01

g(r)  :C       HW      

        r      g(r)         n(r)

    2.1250  0.000000E+00  0.000000E+00
    2.1750  0.000000E+00  0.000000E+00
    2.2250  1.968272E-03  1.197318E-04
    2.2750  1.882708E-03  2.394636E-04
    2.3250  2.403474E-03  3.991060E-04
    2.3750  5.182524E-03  7.583014E-04
    2.4250  9.942045E-03  1.476692E-03
    2.4750  1.749810E-02  2.793742E-03
    2.5250  2.292544E-02  4.589719E-03
    2.5750  3.673967E-02  7.583014E-03
    2.6250  5.703687E-02  1.241220E-02
    2.6750  9.623160E-02  2.087324E-02
    2.7250  1.194152E-01  3.176884E-02
    2.7750  1.518472E-01  4.613665E-02
    2.8250  1.778588E-01  6.357759E-02
    2.8750  2.019847E-01  8.409163E-02
    2.9250  2.152597E-01  1.067209E-01
    2.9750  2.209299E-01  1.307471E-01
    3.0250  2.211411E-01  1.556114E-01
    3.0750  1.758783E-01  1.760457E-01
    3.1250  1.573236E-01  1.949234E-01
    3.1750  1.598186E-01  2.147190E-01
    3.2250  1.383495E-01  2.323994E-01
    3.2750  1.429398E-01  2.512372E-01
    3.3250  1.357352E-01  2.696759E-01
    3.3750  1.291769E-01  2.877554E-01
    3.4250  1.320783E-01  3.067928E-01
    3.4750  1.398712E-01  3.275463E-01
    3.5250  1.510930E-01  3.506146E-01
    3.5750  1.502002E-01  3.742018E-01
    3.6250  1.431191E-01  3.973100E-01
    3.6750  1.474284E-01  4.217752E-01
    3.7250  1.624585E-01  4.494732E-01
    3.7750  1.677566E-01  4.788474E-01
    3.8250  1.884867E-01  5.127315E-01
    3.8750  2.037715E-01  5.503273E-01
    3.9250  2.070467E-01  5.895195E-01
    3.9750  2.168775E-01  6.316252E-01
    4.0250  2.337778E-01  6.781609E-01
    4.0750  2.405950E-01  7.272510E-01
    4.1250  2.643861E-01  7.825271E-01
    4.1750  2.957337E-01  8.458653E-01
    4.2250  2.971459E-01  9.110393E-01
    4.2750  2.847262E-01  9.749761E-01
    4.3250  3.096110E-01  1.046137E+00
    4.3750  3.086839E-01  1.118734E+00
    4.4250  3.082170E-01  1.192888E+00
    4.4750  3.367277E-01  1.275742E+00
    4.5250  3.348796E-01  1.359994E+00
    4.5750  3.229443E-01  1.443048E+00
    4.6250  3.252624E-01  1.528536E+00
    4.6750  3.329068E-01  1.617936E+00
    4.7250  3.426299E-01  1.711925E+00
    4.7750  3.530146E-01  1.810824E+00
    4.8250  3.612232E-01  1.914152E+00
    4.8750  3.538515E-01  2.017481E+00
    4.9250  3.654512E-01  2.126397E+00
    4.9750  3.627357E-01  2.236710E+00
    5.0250  3.614704E-01  2.348859E+00
    5.0750  3.738046E-01  2.467154E+00
    5.1250  3.824994E-01  2.590597E+00
    5.1750  4.049808E-01  2.723859E+00
    5.2250  4.034539E-01  2.859195E+00
    5.2750  4.047135E-01  2.997565E+00
    5.3250  4.153627E-01  3.142281E+00
    5.3750  4.130676E-01  3.288913E+00
    5.4250  4.295486E-01  3.444245E+00
    5.4750  4.299743E-01  3.602610E+00
    5.5250  4.490420E-01  3.771033E+00
    5.5750  4.544007E-01  3.944564E+00
    5.6250  4.671980E-01  4.126197E+00
    5.6750  4.660618E-01  4.310624E+00
    5.7250  4.666777E-01  4.498563E+00
    5.7750  4.633067E-01  4.688418E+00
    5.8250  4.768306E-01  4.887213E+00
    5.8750  4.873822E-01  5.093910E+00
    5.9250  4.829846E-01  5.302243E+00
    5.9750  4.845793E-01  5.514807E+00
    6.0250  4.910657E-01  5.733836E+00
    6.0750  5.151404E-01  5.967433E+00
    6.1250  4.966342E-01  6.196360E+00
    6.1750  5.092390E-01  6.434946E+00
    6.2250  5.163471E-01  6.680795E+00
    6.2750  5.116984E-01  6.928360E+00
    6.3250  5.324639E-01  7.190094E+00
    6.3750  5.279807E-01  7.453744E+00
    6.4250  5.373419E-01  7.726293E+00
    6.4750  5.565788E-01  8.013011E+00
    6.5250  5.547953E-01  8.303241E+00
    6.5750  5.734385E-01  8.607838E+00
    6.6250  5.709580E-01  8.915749E+00
    6.6750  5.706014E-01  9.228129E+00
    6.7250  5.900150E-01  9.555995E+00
    6.7750  5.994545E-01  9.894077E+00
    6.8250  6.195029E-01  1.024864E+01
    6.8750  6.045460E-01  1.059974E+01
    6.9250  6.077687E-01  1.095785E+01
    6.9750  6.118386E-01  1.132360E+01
    7.0250  6.181668E-01  1.169844E+01
    7.0750  6.236067E-01  1.208198E+01
    7.1250  6.233949E-01  1.247083E+01
    7.1750  6.310154E-01  1.286997E+01
    7.2250  6.308367E-01  1.327458E+01
    7.2750  6.260617E-01  1.368171E+01
    7.3250  6.426671E-01  1.410540E+01
    7.3750  6.401336E-01  1.453321E+01
    7.4250  6.433839E-01  1.496903E+01
    7.4750  6.635811E-01  1.542461E+01
    7.5250  6.540463E-01  1.587967E+01
    7.5750  6.640079E-01  1.634782E+01
    7.6250  6.724237E-01  1.682818E+01
    7.6750  6.819431E-01  1.732176E+01
    7.7250  6.816896E-01  1.782160E+01
    7.7750  6.798279E-01  1.832655E+01
    7.8250  6.853317E-01  1.884215E+01
    7.8750  6.931030E-01  1.937029E+01
    7.9250  6.971075E-01  1.990825E+01
    7.9750  6.998338E-01  2.045514E+01
    8.0250  7.072802E-01  2.101481E+01
    8.0750  7.061203E-01  2.158054E+01
    8.1250  7.239277E-01  2.216774E+01
    8.1750  7.121832E-01  2.275255E+01
    8.2250  7.266456E-01  2.335656E+01
    8.2750  7.179384E-01  2.396061E+01
    8.3250  7.401324E-01  2.459088E+01
    8.3750  7.305805E-01  2.522051E+01
    8.4250  7.479730E-01  2.587284E+01
    8.4750  7.339275E-01  2.652055E+01
    8.5250  7.675351E-01  2.720594E+01
    8.5750  7.436793E-01  2.787783E+01
    8.6250  7.579619E-01  2.857064E+01
    8.6750  7.565441E-01  2.927019E+01
    8.7250  7.673976E-01  2.998799E+01
    8.7750  7.721762E-01  3.071855E+01
    8.8250  7.734608E-01  3.145869E+01
    8.8750  7.766883E-01  3.221037E+01
    8.9250  7.662161E-01  3.296029E+01
    8.9750  7.799216E-01  3.373220E+01
    9.0250  7.823105E-01  3.451513E+01
    9.0750  7.812075E-01  3.530564E+01
    9.1250  7.785603E-01  3.610217E+01
    9.1750  7.985742E-01  3.692816E+01
    9.2250  7.871166E-01  3.775120E+01
    9.2750  7.842413E-01  3.858014E+01
    9.3250  8.034587E-01  3.943858E+01
    9.3750  8.078464E-01  4.031098E+01
    9.4250  8.049656E-01  4.118958E+01
    9.4750  8.100241E-01  4.208309E+01
    9.5250  8.129274E-01  4.298930E+01
    9.5750  8.256108E-01  4.391934E+01
    9.6250  8.295375E-01  4.486359E+01
    9.6750  8.240046E-01  4.581130E+01
    9.7250  8.325540E-01  4.677878E+01
    9.7750  8.447613E-01  4.777055E+01
    9.8250  8.442609E-01  4.877191E+01
    9.8750  8.512220E-01  4.979183E+01
    9.9250  8.559888E-01  5.082787E+01
    9.9750  8.563411E-01  5.187480E+01
   10.0250  8.686668E-01  5.294748E+01
   10.0750  8.691222E-01  5.403145E+01
   10.1250  8.775109E-01  5.513677E+01
   10.1750  8.791672E-01  5.625515E+01
   10.2250  8.904736E-01  5.739907E+01
   10.2750  8.840435E-01  5.854586E+01
   10.3250  8.913461E-01  5.971340E+01
   10.3750  8.868795E-01  6.088637E+01
   10.4250  9.027808E-01  6.209191E+01
   10.4750  9.062313E-01  6.331370E+01
   10.5250  9.023038E-01  6.454183E+01
   10.5750  9.061650E-01  6.578696E+01
   10.6250  9.106042E-01  6.705005E+01
   10.6750  9.036047E-01  6.831525E+01
   10.7250  9.230426E-01  6.961981E+01
   10.7750  9.146359E-01  7.092457E+01
   10.8250  9.111679E-01  7.223647E+01
   10.8750  9.168433E-01  7.356877E+01
   10.9250  9.261597E-01  7.492700E+01
   10.9750  9.247516E-01  7.629562E+01
   11.0250  9.314813E-01  7.768678E+01
   11.0750  9.199912E-01  7.907328E+01
   11.1250  9.226843E-01  8.047641E+01
   11.1750  9.289859E-01  8.190186E+01
   11.2250  9.427437E-01  8.336139E+01
   11.2750  9.284475E-01  8.481162E+01
   11.3250  9.361467E-01  8.628688E+01
   11.3750  9.320520E-01  8.776868E+01
   11.4250  9.417789E-01  8.927913E+01
   11.4750  9.460963E-01  9.080983E+01
   11.5250  9.445078E-01  9.235129E+01
   11.5750  9.477843E-01  9.391156E+01
   11.6250  9.511379E-01  9.549090E+01
   11.6750  9.591893E-01  9.709734E+01
   11.7250  9.504117E-01  9.870275E+01
   11.7750  9.614974E-01  1.003408E+02
   11.8250  9.631631E-01  1.019956E+02
   11.8750  9.621409E-01  1.036626E+02
   11.9250  9.664011E-01  1.053512E+02
   11.9750  9.707607E-01  1.070617E+02
   12.0250  9.747673E-01  1.087935E+02
   12.0750  9.735507E-01  1.105377E+02
   12.1250  9.744640E-01  1.122979E+02
   12.1750  9.840947E-01  1.140903E+02
   12.2250  9.807777E-01  1.158913E+02
   12.2750  9.810604E-01  1.177076E+02
   12.3250  9.924255E-01  1.195599E+02
   12.3750  9.907853E-01  1.214242E+02
   12.4250  9.871194E-01  1.232967E+02
   12.4750  9.937492E-01  1.251969E+02
   12.5250  9.967842E-01  1.271182E+02
   12.5750  1.004464E+00  1.290698E+02
   12.6250  1.005144E+00  1.310384E+02
   12.6750  1.011180E+00  1.330344E+02
   12.7250  1.012076E+00  1.350480E+02
   12.7750  1.014797E+00  1.370829E+02
   12.8250  1.012192E+00  1.391286E+02
   12.8750  1.026802E+00  1.412199E+02
   12.9250  1.023714E+00  1.433212E+02
   12.9750  1.032182E+00  1.454563E+02
   13.0250  1.033367E+00  1.476104E+02
   13.0750  1.039292E+00  1.497934E+02
   13.1250  1.029277E+00  1.519720E+02
   13.1750  1.042793E+00  1.541961E+02
   13.2250  1.040755E+00  1.564327E+02
   13.2750  1.043030E+00  1.586911E+02
   13.3250  1.045297E+00  1.609716E+02
   13.3750  1.046557E+00  1.632720E+02
   13.4250  1.050689E+00  1.655987E+02
   13.4750  1.053317E+00  1.679487E+02
   13.5250  1.051972E+00  1.703131E+02
   13.5750  1.052063E+00  1.726952E+02
   13.6250  1.055186E+00  1.751021E+02
   13.6750  1.059139E+00  1.775357E+02
   13.7250  1.056144E+00  1.799802E+02
   13.7750  1.064428E+00  1.824619E+02
   13.8250  1.057490E+00  1.849454E+02
   13.8750  1.055619E+00  1.874424E+02
   13.9250  1.055539E+00  1.899572E+02
   13.9750  1.062619E+00  1.925071E+02

g(r)  :H       H       

        r      g(r)         n(r)

    1.8750  0.000000E+00  0.000000E+00
    1.9250  0.000000E+00  0.000000E+00
    1.9750  4.363309E-01  1.596424E-04
    2.0250  4.150508E-01  3.192848E-04
    2.0750  1.976451E+00  1.117497E-03
    2.1250  1.507632E+00  1.756066E-03
    2.1750  1.079337E+00  2.234994E-03
    2.2250  3.437914E+00  3.831418E-03
    2.2750  4.603849E+00  6.066411E-03
    2.3250  5.037681E+00  8.620690E-03
    2.3750  7.543452E+00  1.261175E-02
    2.4250  8.103871E+00  1.708174E-02
    2.4750  9.724700E+00  2.266922E-02
    2.5250  1.067816E+01  2.905492E-02
    2.5750  8.727386E+00  3.448276E-02
    2.6250  6.422069E+00  3.863346E-02
    2.6750  8.324942E+00  4.422095E-02
    2.7250  8.022250E+00  4.980843E-02
    2.7750  1.016702E+01  5.715198E-02
    2.8250  9.383780E+00  6.417625E-02
    2.8750  8.854319E+00  7.104087E-02
    2.9250  8.156332E+00  7.758621E-02
    2.9750  8.653698E+00  8.477011E-02
    3.0250  7.997996E+00  9.163474E-02
    3.0750  9.000022E+00  9.961686E-02
    3.1250  8.191471E+00  1.071201E-01
    3.1750  8.104350E+00  1.147829E-01
    3.2250  8.018651E+00  1.226054E-01
    3.2750  6.347494E+00  1.289911E-01
    3.3250  7.697539E+00  1.369732E-01
    3.3750  7.321734E+00  1.447957E-01
    3.4250  8.705541E+00  1.543742E-01
    3.4750  8.879670E+00  1.644317E-01
    3.5250  1.232794E+01  1.787995E-01
    3.5750  1.012110E+01  1.909323E-01
    3.6250  1.139812E+01  2.049808E-01
    3.6750  1.209827E+01  2.203065E-01
    3.7250  1.226632E+01  2.362708E-01
    3.7750  1.421281E+01  2.552682E-01
    3.8250  1.419267E+01  2.747446E-01
    3.8750  1.643584E+01  2.978927E-01
    3.9250  1.723506E+01  3.227969E-01
    3.9750  2.068210E+01  3.534483E-01
    4.0250  2.363842E+01  3.893678E-01
    4.0750  2.275441E+01  4.248084E-01
    4.1250  2.420670E+01  4.634419E-01
    4.1750  2.821974E+01  5.095785E-01
    4.2250  3.108368E+01  5.616220E-01
    4.2750  2.887074E+01  6.111111E-01
    4.3250  3.239264E+01  6.679438E-01
    4.3750  3.058940E+01  7.228608E-01
    4.4250  3.129282E+01  7.803321E-01
    4.4750  3.501708E+01  8.461047E-01
    4.5250  3.474626E+01  9.128352E-01
    4.5750  3.236458E+01  9.763729E-01
    4.6250  3.373739E+01  1.044061E+00
    4.6750  3.013818E+01  1.105843E+00
    4.7250  3.018984E+01  1.169061E+00
    4.7750  2.754540E+01  1.227969E+00
    4.8250  2.683125E+01  1.286558E+00
    4.8750  2.714311E+01  1.347063E+00
    4.9250  2.189333E+01  1.396871E+00
    4.9750  2.413741E+01  1.452905E+00
    5.0250  2.177209E+01  1.504470E+00
    5.0750  2.167562E+01  1.556833E+00
    5.1250  2.099555E+01  1.608557E+00
    5.1750  1.900293E+01  1.656290E+00
    5.2250  1.932676E+01  1.705779E+00
    5.2750  1.694357E+01  1.750000E+00
    5.3250  1.668690E+01  1.794381E+00
    5.3750  1.331440E+01  1.830460E+00
    5.4250  1.445809E+01  1.870370E+00
    5.4750  1.271892E+01  1.906130E+00
    5.5250  1.154187E+01  1.939176E+00
    5.5750  1.226673E+01  1.974936E+00
    5.6250  1.027446E+01  2.005428E+00
    5.6750  8.561578E+00  2.031290E+00
    5.7250  1.012638E+01  2.062420E+00
    5.7750  9.849722E+00  2.093231E+00
    5.8250  6.922420E+00  2.115262E+00
    5.8750  6.805093E+00  2.137292E+00
    5.9250  7.805846E+00  2.162995E+00
    5.9750  6.626891E+00  2.185185E+00
    6.0250  6.282921E+00  2.206577E+00
    6.0750  8.301391E+00  2.235313E+00
    6.1250  7.440508E+00  2.261494E+00
    6.1750  8.213247E+00  2.290868E+00
    6.2250  8.037915E+00  2.320083E+00
    6.2750  7.867106E+00  2.349138E+00
    6.3250  8.211214E+00  2.379949E+00
    6.3750  7.496591E+00  2.408525E+00
    6.4250  8.369913E+00  2.440932E+00
    6.4750  7.145034E+00  2.469029E+00
    6.5250  8.195285E+00  2.501756E+00
    6.5750  8.661686E+00  2.536877E+00
    6.6250  7.949749E+00  2.569604E+00
    6.6750  7.640096E+00  2.601533E+00
    6.7250  6.962393E+00  2.631066E+00
    6.7750  7.824115E+00  2.664751E+00
    6.8250  6.431004E+00  2.692848E+00
    6.8750  6.661895E+00  2.722382E+00
    6.9250  6.956455E+00  2.753672E+00
    6.9750  6.857079E+00  2.784962E+00
    7.0250  6.690839E+00  2.815932E+00
    7.0750  7.106650E+00  2.849298E+00
    7.1250  5.397936E+00  2.875000E+00
    7.1750  5.719709E+00  2.902618E+00
    7.2250  6.390753E+00  2.933908E+00
    7.2750  4.663089E+00  2.957056E+00
    7.3250  5.075472E+00  2.982599E+00
    7.3750  4.787834E+00  3.007024E+00
    7.4250  5.094045E+00  3.033365E+00
    7.4750  4.721511E+00  3.058110E+00
    7.5250  4.628918E+00  3.082695E+00
    7.5750  4.568012E+00  3.107280E+00
    7.6250  3.249489E+00  3.125000E+00
    7.6750  4.652013E+00  3.150702E+00
    7.7250  4.563466E+00  3.176245E+00
    7.7750  4.617585E+00  3.202427E+00
    7.8250  4.336385E+00  3.227331E+00
    7.8750  4.748067E+00  3.254949E+00
    7.9250  4.579943E+00  3.281928E+00
    7.9750  4.950879E+00  3.311462E+00
    8.0250  5.444388E+00  3.344349E+00
    8.0750  5.403277E+00  3.377395E+00
    8.1250  5.775283E+00  3.413155E+00
    8.1750  6.163279E+00  3.451788E+00
    8.2250  5.987936E+00  3.489783E+00
    8.2750  5.667231E+00  3.526181E+00
    8.3250  6.139650E+00  3.566092E+00
    8.3750  6.527618E+00  3.609036E+00
    8.4250  6.642201E+00  3.653257E+00
    8.4750  6.611453E+00  3.697797E+00
    8.5250  6.604386E+00  3.742816E+00
    8.5750  7.152574E+00  3.792146E+00
    8.6250  6.795327E+00  3.839559E+00
    8.6750  6.717221E+00  3.886973E+00
    8.7250  6.439228E+00  3.932950E+00
    8.7750  6.211325E+00  3.977810E+00
    8.8250  5.288812E+00  4.016443E+00
    8.8750  5.618351E+00  4.057950E+00
    8.9250  5.106857E+00  4.096105E+00
    8.9750  4.944464E+00  4.133461E+00
    9.0250  4.764449E+00  4.169860E+00
    9.0750  4.009412E+00  4.200830E+00
    9.1250  4.333536E+00  4.234674E+00
    9.1750  4.488623E+00  4.270115E+00
    9.2250  4.000088E+00  4.302043E+00
    9.2750  4.372570E+00  4.337324E+00
    9.3250  3.405837E+00  4.365102E+00
    9.3750  4.047399E+00  4.398467E+00
    9.4250  3.793803E+00  4.430077E+00
    9.4750  3.602197E+00  4.460409E+00
    9.5250  3.132989E+00  4.487069E+00
    9.5750  3.081789E+00  4.513570E+00
    9.6250  3.049854E+00  4.540070E+00
    9.6750  2.709298E+00  4.563857E+00
    9.7250  2.609523E+00  4.587005E+00
    9.7750  2.778840E+00  4.611909E+00
    9.8250  2.521409E+00  4.634738E+00
    9.8750  2.426124E+00  4.656928E+00
    9.9250  2.453577E+00  4.679598E+00
    9.9750  2.223771E+00  4.700351E+00
   10.0250  1.642765E+00  4.715837E+00
   10.0750  1.777412E+00  4.732759E+00
   10.1250  1.710093E+00  4.749202E+00
   10.1750  1.463166E+00  4.763410E+00
   10.2250  1.465171E+00  4.777778E+00
   10.2750  1.547676E+00  4.793103E+00
   10.3250  1.516757E+00  4.808269E+00
   10.3750  1.154301E+00  4.819923E+00
   10.4250  1.237222E+00  4.832535E+00
   10.4750  1.147879E+00  4.844349E+00
   10.5250  1.259918E+00  4.857439E+00
   10.5750  1.202372E+00  4.870051E+00
   10.6250  7.840036E-01  4.878352E+00
   10.6750  9.260373E-01  4.888250E+00
   10.7250  7.398573E-01  4.896232E+00
   10.7750  8.356278E-01  4.905332E+00
   10.8250  7.117261E-01  4.913155E+00
   10.8750  4.173612E-01  4.917784E+00
   10.9250  6.559754E-01  4.925128E+00
   10.9750  6.217506E-01  4.932152E+00
   11.0250  5.041014E-01  4.937899E+00
   11.0750  5.273133E-01  4.943966E+00
   11.1250  6.050974E-01  4.950990E+00
   11.1750  4.497711E-01  4.956258E+00
   11.2250  2.701655E-01  4.959451E+00
   11.2750  3.347184E-01  4.963442E+00
   11.3250  2.919570E-01  4.966954E+00
   11.3750  2.630873E-01  4.970147E+00
   11.4250  1.955922E-01  4.972542E+00
   11.4750  2.068175E-01  4.975096E+00
   11.5250  1.922127E-01  4.977490E+00
   11.5750  2.286668E-01  4.980364E+00
   11.6250  1.889200E-01  4.982759E+00
   11.6750  1.623313E-01  4.984834E+00
   11.7250  1.980920E-01  4.987388E+00
   11.7750  2.086891E-01  4.990102E+00
   11.8250  1.217224E-01  4.991699E+00
   11.8750  1.810493E-01  4.994093E+00
   11.9250  8.378263E-02  4.995211E+00
   11.9750  7.121524E-02  4.996169E+00
   12.0250  4.708283E-02  4.996807E+00
   12.0750  1.167343E-02  4.996967E+00
   12.1250  6.946411E-02  4.997925E+00
   12.1750  2.296491E-02  4.998244E+00
   12.2250  1.138872E-02  4.998404E+00
   12.2750  2.259226E-02  4.998723E+00
   12.3250  2.240933E-02  4.999042E+00
   12.3750  0.000000E+00  4.999042E+00
   12.4250  1.102504E-02  4.999202E+00
   12.4750  4.374734E-02  4.999840E+00
   12.5250  1.084969E-02  5.000000E+00
   12.5750  0.000000E+00  5.000000E+00
   12.6250  0.000000E+00  5.000000E+00
   12.6750  0.000000E+00  5.000000E+00
   12.7250  0.000000E+00  5.000000E+00
   12.7750  0.000000E+00  5.000000E+00
   12.8250  0.000000E+00  5.000000E+00
   12.8750  0.000000E+00  5.000000E+00
   12.9250  0.000000E+00  5.000000E+00
   12.9750  0.000000E+00  5.000000E+00
   13.0250  0.000000E+00  5.000000E+00
   13.0750  0.000000E+00  5.000000E+00
   13.1250  0.000000E+00  5.000000E+00
   13.1750  0.000000E+00  5.000000E+00
   13.2250  0.000000E+00  5.000000E+00
   13.2750  0.000000E+00  5.000000E+00
   13.3250  0.000000E+00  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :H       HC      

        r      g(r)         n(r)

    1.4750  0.000000E+00  0.000000E+00
    1.5250  0.000000E+00  0.000000E+00
    1.5750  4.900583E-02  1.596424E-04
    1.6250  1.150918E-01  5.587484E-04
    1.6750  9.099190E-01  3.911239E-03
    1.7250  1.348189E+00  9.179438E-03
    1.7750  3.472661E+00  2.354725E-02
    1.8250  5.493244E+00  4.757344E-02
    1.8750  8.108862E+00  8.500958E-02
    1.9250  1.181033E+01  1.424808E-01
    1.9750  1.407167E+01  2.145594E-01
    2.0250  1.568299E+01  2.990102E-01
    2.0750  1.784453E+01  3.999042E-01
    2.1250  2.046072E+01  5.212324E-01
    2.1750  2.203646E+01  6.581258E-01
    2.2250  2.282530E+01  8.065134E-01
    2.2750  2.381787E+01  9.683908E-01
    2.3250  2.277077E+01  1.130029E+00
    2.3750  2.382653E+01  1.306513E+00
    2.4250  2.240968E+01  1.479566E+00
    2.4750  2.267443E+01  1.661957E+00
    2.5250  2.232879E+01  1.848898E+00
    2.5750  2.235017E+01  2.043503E+00
    2.6250  2.274189E+01  2.249282E+00
    2.6750  2.381953E+01  2.473100E+00
    2.7250  2.687454E+01  2.735153E+00
    2.7750  3.232448E+01  3.062021E+00
    2.8250  3.937074E+01  3.474617E+00
    2.8750  3.961646E+01  3.904614E+00
    2.9250  2.888819E+01  4.229167E+00
    2.9750  1.992411E+01  4.460728E+00
    3.0250  1.641449E+01  4.657966E+00
    3.0750  1.583361E+01  4.854566E+00
    3.1250  1.623355E+01  5.062739E+00
    3.1750  1.761972E+01  5.295977E+00
    3.2250  1.801274E+01  5.541986E+00
    3.2750  2.049334E+01  5.830619E+00
    3.3250  2.261977E+01  6.159004E+00
    3.3750  2.582352E+01  6.545259E+00
    3.4250  2.843810E+01  6.983317E+00
    3.4750  2.842098E+01  7.433988E+00
    3.5250  2.646592E+01  7.865821E+00
    3.5750  2.377603E+01  8.264847E+00
    3.6250  2.293501E+01  8.660600E+00
    3.6750  2.210364E+01  9.052602E+00
    3.7250  2.185595E+01  9.450830E+00
    3.7750  2.083721E+01  9.840757E+00
    3.8250  2.033341E+01  1.023140E+01
    3.8750  1.909958E+01  1.060800E+01
    3.9250  1.782692E+01  1.096863E+01
    3.9750  1.713121E+01  1.132407E+01
    4.0250  1.682455E+01  1.168199E+01
    4.0750  1.658261E+01  1.204358E+01
    4.1250  1.660817E+01  1.241467E+01
    4.1750  1.628250E+01  1.278736E+01
    4.2250  1.662133E+01  1.317696E+01
    4.2750  1.681022E+01  1.358038E+01
    4.3250  1.777890E+01  1.401708E+01
    4.3750  1.805130E+01  1.447079E+01
    4.4250  1.851492E+01  1.494684E+01
    4.4750  1.817938E+01  1.542489E+01
    4.5250  1.749782E+01  1.589535E+01
    4.5750  1.689963E+01  1.635983E+01
    4.6250  1.555296E+01  1.679670E+01
    4.6750  1.502181E+01  1.722781E+01
    4.7250  1.431894E+01  1.764759E+01
    4.7750  1.343411E+01  1.804981E+01
    4.8250  1.367673E+01  1.846791E+01
    4.8750  1.309069E+01  1.887644E+01
    4.9250  1.305430E+01  1.929223E+01
    4.9750  1.288164E+01  1.971089E+01
    5.0250  1.289137E+01  2.013833E+01
    5.0750  1.265513E+01  2.056633E+01
    5.1250  1.201597E+01  2.098076E+01
    5.1750  1.212083E+01  2.140701E+01
    5.2250  1.142461E+01  2.181657E+01
    5.2750  1.104522E+01  2.222015E+01
    5.3250  1.083877E+01  2.262372E+01
    5.3750  1.062754E+01  2.302690E+01
    5.4250  1.046146E+01  2.343119E+01
    5.4750  1.049027E+01  2.384411E+01
    5.5250  1.056013E+01  2.426740E+01
    5.5750  1.061604E+01  2.470067E+01
    5.6250  1.076628E+01  2.514799E+01
    5.6750  1.080578E+01  2.560496E+01
    5.7250  1.066052E+01  2.606378E+01
    5.7750  1.073919E+01  2.653408E+01
    5.8250  1.063444E+01  2.700790E+01
    5.8750  1.049647E+01  2.748364E+01
    5.9250  1.032699E+01  2.795969E+01
    5.9750  1.021447E+01  2.843854E+01
    6.0250  9.960238E+00  2.891331E+01
    6.0750  1.007532E+01  2.940158E+01
    6.1250  9.976309E+00  2.989304E+01
    6.1750  9.912650E+00  3.038937E+01
    6.2250  9.925037E+00  3.089440E+01
    6.2750  9.608490E+00  3.139120E+01
    6.3250  9.771709E+00  3.190453E+01
    6.3750  9.734200E+00  3.242401E+01
    6.4250  9.645132E+00  3.294684E+01
    6.4750  9.360459E+00  3.346216E+01
    6.5250  9.316069E+00  3.398300E+01
    6.5750  9.342247E+00  3.451333E+01
    6.6250  9.478760E+00  3.505963E+01
    6.6750  9.275895E+00  3.560233E+01
    6.7250  8.961056E+00  3.613450E+01
    6.7750  8.986873E+00  3.667617E+01
    6.8250  8.590767E+00  3.720163E+01
    6.8750  8.427683E+00  3.772470E+01
    6.9250  8.475011E+00  3.825838E+01
    6.9750  8.290218E+00  3.878799E+01
    7.0250  8.208349E+00  3.931992E+01
    7.0750  8.070882E+00  3.985042E+01
    7.1250  7.893344E+00  4.037660E+01
    7.1750  7.859286E+00  4.090789E+01
    7.2250  7.779996E+00  4.144117E+01
    7.2750  7.850298E+00  4.198675E+01
    7.3250  7.644929E+00  4.252538E+01
    7.3750  7.619853E+00  4.306960E+01
    7.4250  7.548448E+00  4.361606E+01
    7.4750  7.422782E+00  4.416068E+01
    7.5250  7.287969E+00  4.470259E+01
    7.5750  7.185720E+00  4.524401E+01
    7.6250  7.097018E+00  4.578584E+01
    7.6750  6.884113E+00  4.631833E+01
    7.7250  6.824827E+00  4.685313E+01
    7.7750  6.930400E+00  4.740326E+01
    7.8250  6.594918E+00  4.793351E+01
    7.8750  6.440865E+00  4.845801E+01
    7.9250  6.334685E+00  4.898044E+01
    7.9750  6.038543E+00  4.948475E+01
    8.0250  6.212719E+00  5.001014E+01
    8.0750  5.931859E+00  5.051804E+01
    8.1250  5.864601E+00  5.102642E+01
    8.1750  5.602981E+00  5.151812E+01
    8.2250  5.371531E+00  5.199529E+01
    8.2750  5.336997E+00  5.247518E+01
    8.3250  5.173093E+00  5.294596E+01
    8.3750  4.975445E+00  5.340421E+01
    8.4250  4.963667E+00  5.386686E+01
    8.4750  4.772399E+00  5.431697E+01
    8.5250  4.765931E+00  5.477179E+01
    8.5750  4.654299E+00  5.522118E+01
    8.6250  4.548195E+00  5.566547E+01
    8.6750  4.603348E+00  5.612037E+01
    8.7250  4.585075E+00  5.657870E+01
    8.7750  4.409030E+00  5.702451E+01
    8.8250  4.328771E+00  5.746719E+01
    8.8750  4.192154E+00  5.790078E+01
    8.9250  4.004899E+00  5.831968E+01
    8.9750  4.007944E+00  5.874361E+01
    9.0250  3.874846E+00  5.915805E+01
    9.0750  3.844076E+00  5.957375E+01
    9.1250  3.685258E+00  5.997669E+01
    9.1750  3.698637E+00  6.038554E+01
    9.2250  3.570793E+00  6.078456E+01
    9.2750  3.428524E+00  6.117186E+01
    9.3250  3.434499E+00  6.156402E+01
    9.3750  3.238888E+00  6.193782E+01
    9.4250  3.325052E+00  6.232567E+01
    9.4750  3.143120E+00  6.269620E+01
    9.5250  3.208701E+00  6.307846E+01
    9.5750  3.099691E+00  6.345163E+01
    9.6250  3.090536E+00  6.382759E+01
    9.6750  3.078806E+00  6.420602E+01
    9.7250  2.983598E+00  6.457655E+01
    9.7750  3.059396E+00  6.496041E+01
    9.8250  2.977958E+00  6.533788E+01
    9.8750  2.896139E+00  6.570873E+01
    9.9250  2.883694E+00  6.608174E+01
    9.9750  2.897011E+00  6.646025E+01
   10.0250  2.966775E+00  6.685177E+01
   10.0750  2.836793E+00  6.722989E+01
   10.1250  2.829006E+00  6.761071E+01
   10.1750  2.882884E+00  6.800263E+01
   10.2250  2.816385E+00  6.838929E+01
   10.2750  2.747010E+00  6.877011E+01
   10.3250  2.744418E+00  6.915429E+01
   10.3750  2.688099E+00  6.953424E+01
   10.4250  2.686986E+00  6.991770E+01
   10.4750  2.629264E+00  7.029654E+01
   10.5250  2.535200E+00  7.066531E+01
   10.5750  2.487367E+00  7.103057E+01
   10.6250  2.354165E+00  7.137955E+01
   10.6750  2.393508E+00  7.173771E+01
   10.7250  2.300428E+00  7.208517E+01
   10.7750  2.213157E+00  7.242257E+01
   10.8250  2.228553E+00  7.276549E+01
   10.8750  2.109936E+00  7.309315E+01
   10.9250  2.070804E+00  7.341770E+01
   10.9750  1.989905E+00  7.373244E+01
   11.0250  2.018406E+00  7.405460E+01
   11.0750  1.868394E+00  7.435552E+01
   11.1250  1.826589E+00  7.465238E+01
   11.1750  1.804925E+00  7.494836E+01
   11.2250  1.787434E+00  7.524409E+01
   11.2750  1.725712E+00  7.553217E+01
   11.3250  1.690128E+00  7.581681E+01
   11.3750  1.646175E+00  7.609650E+01
   11.4250  1.565203E+00  7.636478E+01
   11.4750  1.600066E+00  7.664144E+01
   11.5250  1.478207E+00  7.689927E+01
   11.5750  1.431436E+00  7.715110E+01
   11.6250  1.405205E+00  7.740046E+01
   11.6750  1.388735E+00  7.764903E+01
   11.7250  1.371610E+00  7.789663E+01
   11.7750  1.285455E+00  7.813067E+01
   11.8250  1.225049E+00  7.835560E+01
   11.8750  1.209581E+00  7.857958E+01
   11.9250  1.134485E+00  7.879143E+01
   11.9750  1.131390E+00  7.900447E+01
   12.0250  1.050536E+00  7.920394E+01
   12.0750  9.859879E-01  7.939272E+01
   12.1250  1.003508E+00  7.958645E+01
   12.1750  9.419715E-01  7.976980E+01
   12.2250  9.440438E-01  7.995506E+01
   12.2750  8.512442E-01  8.012348E+01
   12.3250  8.895704E-01  8.030093E+01
   12.3750  8.498475E-01  8.047182E+01
   12.4250  7.709650E-01  8.062811E+01
   12.4750  7.687033E-01  8.078520E+01
   12.5250  7.102672E-01  8.093151E+01
   12.5750  6.754147E-01  8.107176E+01
   12.6250  6.677873E-01  8.121153E+01
   12.6750  6.303675E-01  8.134451E+01
   12.7250  6.044009E-01  8.147302E+01
   12.7750  5.840352E-01  8.159818E+01
   12.8250  5.746858E-01  8.172230E+01
   12.8750  5.364937E-01  8.183908E+01
   12.9250  5.207069E-01  8.195330E+01
   12.9750  4.957590E-01  8.206290E+01
   13.0250  4.625786E-01  8.216595E+01
   13.0750  4.643812E-01  8.227019E+01
   13.1250  4.428533E-01  8.237037E+01
   13.1750  4.149845E-01  8.246496E+01
   13.2250  4.045539E-01  8.255787E+01
   13.2750  3.935785E-01  8.264895E+01
   13.3250  3.594758E-01  8.273276E+01
   13.3750  3.516961E-01  8.281537E+01
   13.4250  3.393003E-01  8.289567E+01
   13.4750  3.023048E-01  8.296775E+01
   13.5250  2.914338E-01  8.303776E+01
   13.5750  2.764262E-01  8.310465E+01
   13.6250  2.668698E-01  8.316970E+01
   13.6750  2.496442E-01  8.323100E+01
   13.7250  2.458924E-01  8.329183E+01
   13.7750  2.386645E-01  8.335129E+01
   13.8250  1.987763E-01  8.340118E+01
   13.8750  1.853476E-01  8.344804E+01
   13.9250  1.764952E-01  8.349298E+01
   13.9750  1.655857E-01  8.353544E+01

g(r)  :H       N       

        r      g(r)         n(r)

    2.5250  0.000000E+00  0.000000E+00
    2.5750  0.000000E+00  0.000000E+00
    2.6250  4.940053E-01  3.192848E-04
    2.6750  0.000000E+00  3.192848E-04
    2.7250  4.584143E-01  6.385696E-04
    2.7750  9.945993E-01  1.356960E-03
    2.8250  2.026043E+00  2.873563E-03
    2.8750  2.265058E+00  4.629630E-03
    2.9250  2.685622E+00  6.784802E-03
    2.9750  2.884566E+00  9.179438E-03
    3.0250  4.184998E+00  1.277139E-02
    3.0750  6.570016E+00  1.859834E-02
    3.1250  7.494325E+00  2.546296E-02
    3.1750  7.428987E+00  3.248723E-02
    3.2250  9.736933E+00  4.198595E-02
    3.2750  1.158418E+01  5.363985E-02
    3.3250  1.277791E+01  6.689017E-02
    3.3750  1.546530E+01  8.341315E-02
    3.4250  1.690326E+01  1.020115E-01
    3.4750  1.839360E+01  1.228448E-01
    3.5250  2.040958E+01  1.466315E-01
    3.5750  2.323858E+01  1.744891E-01
    3.6250  2.460957E+01  2.048212E-01
    3.6750  2.463762E+01  2.360313E-01
    3.7250  2.330601E+01  2.663633E-01
    3.7750  2.149837E+01  2.950990E-01
    3.8250  2.076551E+01  3.235951E-01
    3.8750  1.955298E+01  3.511335E-01
    3.9250  1.878179E+01  3.782727E-01
    3.9750  1.858157E+01  4.058110E-01
    4.0250  1.765002E+01  4.326309E-01
    4.0750  1.721956E+01  4.594508E-01
    4.1250  1.970545E+01  4.909004E-01
    4.1750  1.967570E+01  5.230683E-01
    4.2250  2.131044E+01  5.587484E-01
    4.2750  1.923164E+01  5.917146E-01
    4.3250  2.297511E+01  6.320243E-01
    4.3750  2.151929E+01  6.706577E-01
    4.4250  2.307845E+01  7.130428E-01
    4.4750  2.405300E+01  7.582216E-01
    4.5250  2.273469E+01  8.018838E-01
    4.5750  2.333827E+01  8.477011E-01
    4.6250  2.418907E+01  8.962324E-01
    4.6750  2.488152E+01  9.472382E-01
    4.7250  2.534880E+01  1.000319E+00
    4.7750  2.325309E+01  1.050048E+00
    4.8250  2.324888E+01  1.100814E+00
    4.8750  2.392031E+01  1.154135E+00
    4.9250  2.448965E+01  1.209850E+00
    4.9750  2.338097E+01  1.264128E+00
    5.0250  2.298540E+01  1.318566E+00
    5.0750  2.141129E+01  1.370291E+00
    5.1250  2.128715E+01  1.422733E+00
    5.1750  2.033758E+01  1.473819E+00
    5.2250  1.970083E+01  1.524266E+00
    5.2750  1.813635E+01  1.571600E+00
    5.3250  1.746723E+01  1.618056E+00
    5.3750  1.572985E+01  1.660680E+00
    5.4250  1.575931E+01  1.704183E+00
    5.4750  1.663680E+01  1.750958E+00
    5.5250  1.566795E+01  1.795817E+00
    5.5750  1.623699E+01  1.843151E+00
    5.6250  1.473927E+01  1.886893E+00
    5.6750  1.469209E+01  1.931274E+00
    5.7250  1.433272E+01  1.975335E+00
    5.7750  1.298836E+01  2.015964E+00
    5.8250  1.259078E+01  2.056034E+00
    5.8750  1.250066E+01  2.096504E+00
    5.9250  1.243602E+01  2.137452E+00
    5.9750  1.087001E+01  2.173851E+00
    6.0250  1.094822E+01  2.211127E+00
    6.0750  1.046898E+01  2.247366E+00
    6.1250  1.075244E+01  2.285201E+00
    6.1750  9.708594E+00  2.319923E+00
    6.2250  9.135991E+00  2.353129E+00
    6.2750  8.688397E+00  2.385217E+00
    6.3250  7.955943E+00  2.415070E+00
    6.3750  8.334198E+00  2.446839E+00
    6.4250  7.359751E+00  2.475335E+00
    6.4750  7.408914E+00  2.504470E+00
    6.5250  6.836067E+00  2.531769E+00
    6.5750  7.047463E+00  2.560345E+00
    6.6250  7.019046E+00  2.589240E+00
    6.6750  6.474981E+00  2.616299E+00
    6.7250  6.397874E+00  2.643439E+00
    6.7750  6.081303E+00  2.669620E+00
    6.8250  5.937717E+00  2.695562E+00
    6.8750  5.545577E+00  2.720147E+00
    6.9250  5.448040E+00  2.744652E+00
    6.9750  4.985376E+00  2.767401E+00
    7.0250  5.138841E+00  2.791188E+00
    7.0750  5.066464E+00  2.814974E+00
    7.1250  4.978841E+00  2.838681E+00
    7.1750  4.860099E+00  2.862149E+00
    7.2250  4.711550E+00  2.885217E+00
    7.2750  5.290194E+00  2.911478E+00
    7.3250  5.519575E+00  2.939256E+00
    7.3750  5.038178E+00  2.964958E+00
    7.4250  5.603449E+00  2.993934E+00
    7.4750  5.315508E+00  3.021791E+00
    7.5250  5.560713E+00  3.051325E+00
    7.5750  5.443053E+00  3.080619E+00
    7.6250  5.445090E+00  3.110313E+00
    7.6750  6.891336E+00  3.148388E+00
    7.7250  6.246245E+00  3.183349E+00
    7.7750  6.264712E+00  3.218870E+00
    7.8250  6.726956E+00  3.257503E+00
    7.8750  7.273051E+00  3.299808E+00
    7.9250  7.330619E+00  3.342992E+00
    7.9750  7.519983E+00  3.387851E+00
    8.0250  7.215136E+00  3.431434E+00
    8.0750  7.230473E+00  3.475655E+00
    8.1250  7.219104E+00  3.520354E+00
    8.1750  6.927322E+00  3.563777E+00
    8.2250  6.554023E+00  3.605364E+00
    8.2750  7.456882E+00  3.653257E+00
    8.3250  6.851849E+00  3.697797E+00
    8.3750  6.685348E+00  3.741778E+00
    8.4250  6.474348E+00  3.784882E+00
    8.4750  6.824725E+00  3.830859E+00
    8.5250  6.826874E+00  3.877395E+00
    8.5750  6.620182E+00  3.923052E+00
    8.6250  6.314850E+00  3.967114E+00
    8.6750  5.676843E+00  4.007184E+00
    8.7250  5.757296E+00  4.048292E+00
    8.7750  4.686124E+00  4.082136E+00
    8.8250  5.212321E+00  4.120211E+00
    8.8750  4.699966E+00  4.154933E+00
    8.9250  4.626086E+00  4.189496E+00
    8.9750  4.342253E+00  4.222302E+00
    9.0250  4.116651E+00  4.253752E+00
    9.0750  3.844076E+00  4.283445E+00
    9.1250  3.515888E+00  4.310904E+00
    9.1750  3.720300E+00  4.340278E+00
    9.2250  3.490077E+00  4.368135E+00
    9.2750  3.482228E+00  4.396232E+00
    9.3250  3.591788E+00  4.425527E+00
    9.3750  3.398654E+00  4.453544E+00
    9.4250  3.362689E+00  4.481561E+00
    9.4750  3.185101E+00  4.508381E+00
    9.5250  2.523276E+00  4.529853E+00
    9.5750  2.849727E+00  4.554358E+00
    9.6250  2.507862E+00  4.576149E+00
    9.6750  2.409275E+00  4.597302E+00
    9.7250  2.303579E+00  4.617736E+00
    9.7750  2.048504E+00  4.636095E+00
    9.8250  2.107052E+00  4.655172E+00
    9.8750  1.946136E+00  4.672973E+00
    9.9250  1.831544E+00  4.689895E+00
    9.9750  1.864546E+00  4.707296E+00
   10.0250  1.304051E+00  4.719588E+00
   10.0750  1.509124E+00  4.733956E+00
   10.1250  1.535763E+00  4.748723E+00
   10.1750  1.438506E+00  4.762692E+00
   10.2250  1.318654E+00  4.775623E+00
   10.2750  1.402581E+00  4.789511E+00
   10.3250  1.452894E+00  4.804039E+00
   10.3750  1.201738E+00  4.816172E+00
   10.4250  1.315527E+00  4.829582E+00
   10.4750  1.295242E+00  4.842912E+00
   10.5250  1.190776E+00  4.855284E+00
   10.5750  1.050173E+00  4.866299E+00
   10.6250  1.115697E+00  4.878113E+00
   10.6750  9.111012E-01  4.887851E+00
   10.7250  9.100245E-01  4.897669E+00
   10.7750  8.796082E-01  4.907248E+00
   10.8250  7.553011E-01  4.915549E+00
   10.8750  7.987430E-01  4.924409E+00
   10.9250  6.060642E-01  4.931194E+00
   10.9750  5.510971E-01  4.937420E+00
   11.0250  4.690944E-01  4.942768E+00
   11.0750  6.105733E-01  4.949792E+00
   11.1250  4.194425E-01  4.954662E+00
   11.1750  4.361416E-01  4.959770E+00
   11.2250  3.579693E-01  4.964001E+00
   11.2750  4.217452E-01  4.969029E+00
   11.3250  2.587801E-01  4.972142E+00
   11.3750  2.565101E-01  4.975255E+00
   11.4250  2.673093E-01  4.978528E+00
   11.4750  2.197436E-01  4.981242E+00
   11.5250  1.793985E-01  4.983477E+00
   11.5750  2.350187E-01  4.986430E+00
   11.6250  1.637307E-01  4.988506E+00
   11.6750  1.123832E-01  4.989943E+00
   11.7250  1.114268E-01  4.991379E+00
   11.7750  1.227583E-01  4.992976E+00
   11.8250  8.520566E-02  4.994093E+00
   11.8750  7.241970E-02  4.995051E+00
   11.9250  6.582921E-02  4.995929E+00
   11.9750  7.121524E-02  4.996887E+00
   12.0250  2.942677E-02  4.997286E+00
   12.0750  2.918357E-02  4.997685E+00
   12.1250  2.894338E-02  4.998084E+00
   12.1750  3.444737E-02  4.998563E+00
   12.2250  2.277745E-02  4.998883E+00
   12.2750  5.648066E-03  4.998962E+00
   12.3250  5.602333E-03  4.999042E+00
   12.3750  5.557153E-03  4.999122E+00
   12.4250  2.205007E-02  4.999441E+00
   12.4750  5.468418E-03  4.999521E+00
   12.5250  1.627453E-02  4.999761E+00
   12.5750  5.381791E-03  4.999840E+00
   12.6250  5.339247E-03  4.999920E+00
   12.6750  0.000000E+00  4.999920E+00
   12.7250  5.255660E-03  5.000000E+00
   12.7750  0.000000E+00  5.000000E+00
   12.8250  0.000000E+00  5.000000E+00
   12.8750  0.000000E+00  5.000000E+00
   12.9250  0.000000E+00  5.000000E+00
   12.9750  0.000000E+00  5.000000E+00
   13.0250  0.000000E+00  5.000000E+00
   13.0750  0.000000E+00  5.000000E+00
   13.1250  0.000000E+00  5.000000E+00
   13.1750  0.000000E+00  5.000000E+00
   13.2250  0.000000E+00  5.000000E+00
   13.2750  0.000000E+00  5.000000E+00
   13.3250  0.000000E+00  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :H       OS      

        r      g(r)         n(r)

    1.6750  0.000000E+00  0.000000E+00
    1.7250  0.000000E+00  0.000000E+00
    1.7750  2.700959E-01  7.982120E-05
    1.8250  2.554997E-01  1.596424E-04
    1.8750  1.452333E+00  6.385696E-04
    1.9250  7.807939E+00  3.352490E-03
    1.9750  1.898039E+01  1.029693E-02
    2.0250  3.693952E+01  2.450511E-02
    2.0750  6.937345E+01  5.252235E-02
    2.1250  9.573465E+01  9.307152E-02
    2.1750  1.406736E+02  1.554917E-01
    2.2250  1.648480E+02  2.320402E-01
    2.2750  1.833319E+02  3.210409E-01
    2.3250  2.029241E+02  4.239304E-01
    2.3750  1.991471E+02  5.292944E-01
    2.4250  1.745227E+02  6.255587E-01
    2.4750  1.572623E+02  7.159163E-01
    2.5250  1.396169E+02  7.994093E-01
    2.5750  1.089640E+02  8.671775E-01
    2.6250  1.018886E+02  9.330300E-01
    2.6750  8.087086E+01  9.873084E-01
    2.7250  7.059580E+01  1.036478E+00
    2.7750  5.978647E+01  1.079662E+00
    2.8250  5.139752E+01  1.118135E+00
    2.8750  4.849284E+01  1.155731E+00
    2.9250  4.396462E+01  1.191012E+00
    2.9750  3.692244E+01  1.221663E+00
    3.0250  3.366598E+01  1.250559E+00
    3.0750  2.934007E+01  1.276580E+00
    3.1250  2.858301E+01  1.302762E+00
    3.1750  2.313116E+01  1.324633E+00
    3.2250  1.988298E+01  1.344029E+00
    3.2750  2.039133E+01  1.364543E+00
    3.3250  1.678063E+01  1.381944E+00
    3.3750  1.703424E+01  1.400144E+00
    3.4250  1.733854E+01  1.419221E+00
    3.4750  1.825265E+01  1.439895E+00
    3.5250  1.787551E+01  1.460728E+00
    3.5750  1.657996E+01  1.480603E+00
    3.6250  1.521908E+01  1.499361E+00
    3.6750  1.613102E+01  1.519796E+00
    3.7250  1.729551E+01  1.542305E+00
    3.7750  1.809446E+01  1.566491E+00
    3.8250  1.872967E+01  1.592193E+00
    3.8750  2.125324E+01  1.622126E+00
    3.9250  2.132286E+01  1.652937E+00
    3.9750  2.380596E+01  1.688218E+00
    4.0250  2.374348E+01  1.724298E+00
    4.0750  2.470186E+01  1.762771E+00
    4.1250  2.510694E+01  1.802842E+00
    4.1750  2.489977E+01  1.843550E+00
    4.2250  2.660229E+01  1.888091E+00
    4.2750  2.635619E+01  1.933269E+00
    4.3250  2.311160E+01  1.973819E+00
    4.3750  2.303097E+01  2.015166E+00
    4.4250  1.742836E+01  2.047174E+00
    4.4750  9.901676E+00  2.065773E+00
    4.5250  7.398127E+00  2.079981E+00
    4.5750  6.505442E+00  2.092752E+00
    4.6250  6.405330E+00  2.105603E+00
    4.6750  6.580558E+00  2.119093E+00
    4.7250  7.623698E+00  2.135057E+00
    4.7750  7.576850E+00  2.151261E+00
    4.8250  8.736606E+00  2.170338E+00
    4.8750  9.811624E+00  2.192209E+00
    4.9250  9.929185E+00  2.214799E+00
    4.9750  9.146084E+00  2.236031E+00
    5.0250  9.099791E+00  2.257583E+00
    5.0750  9.615254E+00  2.280811E+00
    5.1250  1.095138E+01  2.307791E+00
    5.1750  1.093145E+01  2.335249E+00
    5.2250  1.009979E+01  2.361111E+00
    5.2750  1.156078E+01  2.391284E+00
    5.3250  1.185490E+01  2.422813E+00
    5.3750  1.163538E+01  2.454342E+00
    5.4250  1.029416E+01  2.482759E+00
    5.4750  1.144135E+01  2.514927E+00
    5.5250  1.182066E+01  2.548771E+00
    5.5750  1.202030E+01  2.583812E+00
    5.6250  1.086618E+01  2.616060E+00
    5.6750  1.202320E+01  2.652379E+00
    5.7250  1.300850E+01  2.692369E+00
    5.7750  1.201870E+01  2.729965E+00
    5.8250  1.153737E+01  2.766683E+00
    5.8750  1.269791E+01  2.807791E+00
    5.9250  1.233905E+01  2.848420E+00
    5.9750  1.199038E+01  2.888570E+00
    6.0250  1.226107E+01  2.930316E+00
    6.0750  1.171418E+01  2.970865E+00
    6.1250  1.122882E+01  3.010377E+00
    6.1750  1.187350E+01  3.052842E+00
    6.2250  1.069526E+01  3.091715E+00
    6.2750  1.126034E+01  3.133301E+00
    6.3250  1.059374E+01  3.173052E+00
    6.3750  1.070044E+01  3.213841E+00
    6.4250  1.063762E+01  3.255029E+00
    6.4750  8.322341E+00  3.287755E+00
    6.5250  8.714986E+00  3.322557E+00
    6.5750  9.409741E+00  3.360712E+00
    6.6250  8.046697E+00  3.393838E+00
    6.6750  8.518707E+00  3.429438E+00
    6.7250  8.223150E+00  3.464320E+00
    6.7750  9.029252E+00  3.503193E+00
    6.8250  8.970520E+00  3.542385E+00
    6.8750  9.470694E+00  3.584371E+00
    6.9250  9.014998E+00  3.624920E+00
    6.9750  9.341021E+00  3.667545E+00
    7.0250  9.311993E+00  3.710648E+00
    7.0750  8.517780E+00  3.750639E+00
    7.1250  9.136258E+00  3.794141E+00
    7.1750  9.141615E+00  3.838282E+00
    7.2250  8.868799E+00  3.881705E+00
    7.2750  8.908107E+00  3.925926E+00
    7.3250  8.802771E+00  3.970227E+00
    7.3750  8.730756E+00  4.014767E+00
    7.4250  8.119599E+00  4.056753E+00
    7.4750  8.194107E+00  4.099697E+00
    7.5250  7.409274E+00  4.139049E+00
    7.5750  7.593578E+00  4.179917E+00
    7.6250  6.777088E+00  4.216874E+00
    7.6750  6.602391E+00  4.253352E+00
    7.7250  6.488679E+00  4.289671E+00
    7.7750  6.250634E+00  4.325112E+00
    7.8250  5.948630E+00  4.359275E+00
    7.8750  5.146027E+00  4.389208E+00
    7.9250  5.284550E+00  4.420338E+00
    7.9750  5.405824E+00  4.452586E+00
    8.0250  5.180098E+00  4.483876E+00
    8.0750  4.946479E+00  4.514128E+00
    8.1250  4.885786E+00  4.544381E+00
    8.1750  4.367779E+00  4.571759E+00
    8.2250  4.641909E+00  4.601213E+00
    8.2750  4.250423E+00  4.628512E+00
    8.3250  4.322313E+00  4.656609E+00
    8.3750  4.076728E+00  4.683429E+00
    8.4250  4.172358E+00  4.711207E+00
    8.4750  3.957393E+00  4.737867E+00
    8.5250  4.063337E+00  4.765565E+00
    8.5750  4.617924E+00  4.797414E+00
    8.6250  3.935341E+00  4.824872E+00
    8.6750  3.969267E+00  4.852890E+00
    8.7250  3.979801E+00  4.881306E+00
    8.7750  4.078254E+00  4.910760E+00
    8.8250  3.890118E+00  4.939176E+00
    8.8750  4.192154E+00  4.970147E+00
    8.9250  3.995742E+00  5.000000E+00
    8.9750  4.014735E+00  5.030332E+00
    9.0250  4.033064E+00  5.061143E+00
    9.0750  3.575404E+00  5.088761E+00
    9.1250  3.730520E+00  5.117896E+00
    9.1750  3.760738E+00  5.147589E+00
    9.2250  3.690081E+00  5.177043E+00
    9.2750  3.343730E+00  5.204023E+00
    9.3250  3.307968E+00  5.231003E+00
    9.3750  3.185633E+00  5.257264E+00
    9.4250  3.745902E+00  5.288474E+00
    9.4750  3.554800E+00  5.318407E+00
    9.5250  2.926624E+00  5.343311E+00
    9.5750  3.202461E+00  5.370849E+00
    9.6250  3.123344E+00  5.397989E+00
    9.6750  3.036595E+00  5.424649E+00
    9.7250  2.915467E+00  5.450511E+00
    9.7750  2.743213E+00  5.475096E+00
    9.8250  2.979847E+00  5.502075E+00
    9.8750  2.295218E+00  5.523068E+00
    9.9250  2.453577E+00  5.545738E+00
    9.9750  2.386277E+00  5.568008E+00
   10.0250  2.481083E+00  5.591395E+00
   10.0750  2.422982E+00  5.614464E+00
   10.1250  2.100259E+00  5.634658E+00
   10.1750  2.046789E+00  5.654534E+00
   10.2250  2.279155E+00  5.676884E+00
   10.2750  2.031325E+00  5.696999E+00
   10.3250  1.628518E+00  5.713282E+00
   10.3750  1.652390E+00  5.729965E+00
   10.4250  1.848002E+00  5.748803E+00
   10.4750  1.652015E+00  5.765805E+00
   10.5250  1.620992E+00  5.782647E+00
   10.5750  1.521990E+00  5.798611E+00
   10.6250  1.432314E+00  5.813777E+00
   10.6750  1.665374E+00  5.831577E+00
   10.7250  1.427925E+00  5.846983E+00
   10.7750  1.312082E+00  5.861271E+00
   10.8250  1.292727E+00  5.875479E+00
   10.8750  1.216104E+00  5.888969E+00
   10.9250  9.982234E-01  5.900144E+00
   10.9750  7.489269E-01  5.908605E+00
   11.0250  8.191648E-01  5.917944E+00
   11.0750  8.048467E-01  5.927203E+00
   11.1250  5.844691E-01  5.933988E+00
   11.1750  7.019155E-01  5.942209E+00
   11.2250  5.200687E-01  5.948356E+00
   11.2750  4.686057E-01  5.953943E+00
   11.3250  3.914878E-01  5.958653E+00
   11.3750  4.998658E-01  5.964719E+00
   11.4250  4.563818E-01  5.970307E+00
   11.4750  3.683937E-01  5.974856E+00
   11.5250  3.075403E-01  5.978688E+00
   11.5750  3.557040E-01  5.983158E+00
   11.6250  2.707854E-01  5.986590E+00
   11.6750  1.748183E-01  5.988825E+00
   11.7250  1.361883E-01  5.990581E+00
   11.7750  9.206873E-02  5.991778E+00
   11.8250  9.737790E-02  5.993056E+00
   11.8750  9.655960E-02  5.994333E+00
   11.9250  5.984474E-02  5.995131E+00
   11.9750  5.341143E-02  5.995849E+00
   12.0250  5.296818E-02  5.996568E+00
   12.0750  1.751014E-02  5.996807E+00
   12.1250  4.052073E-02  5.997366E+00
   12.1750  3.444737E-02  5.997845E+00
   12.2250  5.694361E-03  5.997925E+00
   12.2750  5.648066E-03  5.998004E+00
   12.3250  5.602333E-03  5.998084E+00
   12.3750  2.778577E-02  5.998483E+00
   12.4250  1.102504E-02  5.998643E+00
   12.4750  3.281051E-02  5.999122E+00
   12.5250  1.084969E-02  5.999282E+00
   12.5750  0.000000E+00  5.999282E+00
   12.6250  1.067849E-02  5.999441E+00
   12.6750  1.059441E-02  5.999601E+00
   12.7250  1.051132E-02  5.999761E+00
   12.7750  5.214600E-03  5.999840E+00
   12.8250  1.034804E-02  6.000000E+00
   12.8750  0.000000E+00  6.000000E+00
   12.9250  0.000000E+00  6.000000E+00
   12.9750  0.000000E+00  6.000000E+00
   13.0250  0.000000E+00  6.000000E+00
   13.0750  0.000000E+00  6.000000E+00
   13.1250  0.000000E+00  6.000000E+00
   13.1750  0.000000E+00  6.000000E+00
   13.2250  0.000000E+00  6.000000E+00
   13.2750  0.000000E+00  6.000000E+00
   13.3250  0.000000E+00  6.000000E+00
   13.3750  0.000000E+00  6.000000E+00
   13.4250  0.000000E+00  6.000000E+00
   13.4750  0.000000E+00  6.000000E+00
   13.5250  0.000000E+00  6.000000E+00
   13.5750  0.000000E+00  6.000000E+00
   13.6250  0.000000E+00  6.000000E+00
   13.6750  0.000000E+00  6.000000E+00
   13.7250  0.000000E+00  6.000000E+00
   13.7750  0.000000E+00  6.000000E+00
   13.8250  0.000000E+00  6.000000E+00
   13.8750  0.000000E+00  6.000000E+00
   13.9250  0.000000E+00  6.000000E+00
   13.9750  0.000000E+00  6.000000E+00

g(r)  :H       Oe      

        r      g(r)         n(r)

    1.6250  0.000000E+00  0.000000E+00
    1.6750  0.000000E+00  0.000000E+00
    1.7250  2.287835E+00  6.385696E-04
    1.7750  7.832780E+00  2.953384E-03
    1.8250  2.503897E+01  1.077586E-02
    1.8750  3.291956E+01  2.163155E-02
    1.9250  3.628395E+01  3.424330E-02
    1.9750  4.101510E+01  4.924968E-02
    2.0250  4.461796E+01  6.641124E-02
    2.0750  3.320438E+01  7.982120E-02
    2.1250  3.015265E+01  9.259259E-02
    2.1750  2.536441E+01  1.038474E-01
    2.2250  2.630005E+01  1.160600E-01
    2.2750  2.482790E+01  1.281130E-01
    2.3250  2.471612E+01  1.406450E-01
    2.3750  2.911772E+01  1.560504E-01
    2.4250  3.154721E+01  1.734515E-01
    2.4750  3.014657E+01  1.907727E-01
    2.5250  3.603879E+01  2.123244E-01
    2.5750  3.901655E+01  2.365900E-01
    2.6250  4.050844E+01  2.627714E-01
    2.6750  4.055436E+01  2.899904E-01
    2.7250  4.458079E+01  3.210409E-01
    2.7750  4.674617E+01  3.548052E-01
    2.8250  5.289039E+01  3.943966E-01
    2.8750  5.127269E+01  4.341475E-01
    2.9250  5.420977E+01  4.776501E-01
    2.9750  5.586443E+01  5.240262E-01
    3.0250  6.044997E+01  5.759100E-01
    3.0750  6.255015E+01  6.313857E-01
    3.1250  6.283033E+01  6.889368E-01
    3.1750  6.466596E+01  7.500798E-01
    3.2250  6.701301E+01  8.154534E-01
    3.2750  7.228209E+01  8.881705E-01
    3.3250  6.966273E+01  9.604087E-01
    3.3750  7.336676E+01  1.038793E+00
    3.4250  6.783067E+01  1.113426E+00
    3.4750  6.786605E+01  1.190294E+00
    3.5250  6.684481E+01  1.268199E+00
    3.5750  7.151357E+01  1.353927E+00
    3.6250  6.528013E+01  1.434387E+00
    3.6750  6.433506E+01  1.515884E+00
    3.7250  6.458217E+01  1.599936E+00
    3.7750  5.918025E+01  1.679039E+00
    3.8250  4.775485E+01  1.744572E+00
    3.8750  4.165636E+01  1.803241E+00
    3.9250  3.922081E+01  1.859914E+00
    3.9750  3.533192E+01  1.912277E+00
    4.0250  3.009959E+01  1.958014E+00
    4.0750  3.131294E+01  2.006785E+00
    4.1250  3.115862E+01  2.056513E+00
    4.1750  3.300441E+01  2.110473E+00
    4.2250  3.318135E+01  2.166028E+00
    4.2750  3.371357E+01  2.223819E+00
    4.3250  2.834356E+01  2.273547E+00
    4.3750  2.409805E+01  2.316810E+00
    4.4250  1.921031E+01  2.352091E+00
    4.4750  1.423631E+01  2.378831E+00
    4.5250  1.163750E+01  2.401181E+00
    4.5750  1.097793E+01  2.422733E+00
    4.6250  1.002573E+01  2.442848E+00
    4.6750  9.072603E+00  2.461446E+00
    4.7250  8.995964E+00  2.480284E+00
    4.7750  9.853637E+00  2.501357E+00
    4.8250  8.809716E+00  2.520594E+00
    4.8750  1.045618E+01  2.543902E+00
    4.9250  1.010461E+01  2.566890E+00
    4.9750  8.767862E+00  2.587245E+00
    5.0250  9.403117E+00  2.609515E+00
    5.0750  7.665769E+00  2.628033E+00
    5.1250  8.650943E+00  2.649345E+00
    5.1750  1.058190E+01  2.675926E+00
    5.2250  9.039938E+00  2.699074E+00
    5.2750  1.153019E+01  2.729167E+00
    5.3250  1.107458E+01  2.758621E+00
    5.3750  1.166483E+01  2.790230E+00
    5.4250  1.153755E+01  2.822079E+00
    5.4750  1.254857E+01  2.857360E+00
    5.5250  1.360491E+01  2.896312E+00
    5.5750  1.426555E+01  2.937899E+00
    5.6250  1.476617E+01  2.981721E+00
    5.6750  1.537913E+01  3.028177E+00
    5.7250  1.640993E+01  3.078624E+00
    5.7750  1.566769E+01  3.127634E+00
    5.8250  1.550020E+01  3.176964E+00
    5.8750  1.447315E+01  3.223819E+00
    5.9250  1.493292E+01  3.272989E+00
    5.9750  1.423113E+01  3.320642E+00
    6.0250  1.387869E+01  3.367896E+00
    6.0750  1.385871E+01  3.415868E+00
    6.1250  1.327042E+01  3.462564E+00
    6.1750  1.290015E+01  3.508701E+00
    6.2250  1.236433E+01  3.553640E+00
    6.2750  1.208163E+01  3.598260E+00
    6.3250  1.238064E+01  3.644716E+00
    6.3750  1.049104E+01  3.684706E+00
    6.4250  9.709924E+00  3.722302E+00
    6.4750  1.041308E+01  3.763250E+00
    6.5250  9.494538E+00  3.801165E+00
    6.5750  8.937285E+00  3.837404E+00
    6.6250  8.298762E+00  3.871568E+00
    6.6750  8.900711E+00  3.908764E+00
    6.7250  7.696267E+00  3.941411E+00
    6.7750  8.102224E+00  3.976293E+00
    6.8250  8.385883E+00  4.012931E+00
    6.8750  7.976269E+00  4.048292E+00
    6.9250  7.062932E+00  4.080061E+00
    6.9750  6.559706E+00  4.109994E+00
    7.0250  6.639106E+00  4.140725E+00
    7.0750  6.171565E+00  4.169700E+00
    7.1250  6.655219E+00  4.201389E+00
    7.1750  5.703178E+00  4.228927E+00
    7.2250  5.722332E+00  4.256944E+00
    7.2750  5.483149E+00  4.284163E+00
    7.3250  5.709906E+00  4.312899E+00
    7.3750  6.180374E+00  4.344428E+00
    7.4250  6.051108E+00  4.375718E+00
    7.4750  6.214118E+00  4.408285E+00
    7.5250  5.380366E+00  4.436861E+00
    7.5750  5.101935E+00  4.464320E+00
    7.6250  5.518277E+00  4.494413E+00
    7.6750  6.111185E+00  4.528177E+00
    7.7250  6.046593E+00  4.562021E+00
    7.7750  5.729748E+00  4.594508E+00
    7.8250  5.990326E+00  4.628911E+00
    7.8750  6.586914E+00  4.667225E+00
    7.9250  5.989156E+00  4.702506E+00
    7.9750  5.900912E+00  4.737708E+00
    8.0250  6.118330E+00  4.774665E+00
    8.0750  5.807871E+00  4.810185E+00
    8.1250  6.058891E+00  4.847701E+00
    8.1750  6.099609E+00  4.885936E+00
    8.2250  5.698603E+00  4.922095E+00
    8.2750  5.194961E+00  4.955460E+00
    8.3250  5.071351E+00  4.988426E+00
    8.3750  4.962446E+00  5.021073E+00
    8.4250  4.735866E+00  5.052602E+00
    8.4750  4.004787E+00  5.079582E+00
    8.5250  4.227275E+00  5.108397E+00
    8.5750  3.738319E+00  5.134179E+00
    8.6250  3.386224E+00  5.157807E+00
    8.6750  3.550854E+00  5.182870E+00
    8.7250  3.566170E+00  5.208333E+00
    8.7750  3.547750E+00  5.233956E+00
    8.8250  3.791772E+00  5.261654E+00
    8.8750  3.446642E+00  5.287117E+00
    8.9250  3.589757E+00  5.313937E+00
    8.9750  3.137833E+00  5.337644E+00
    9.0250  3.573337E+00  5.364943E+00
    9.0750  3.389400E+00  5.391124E+00
    9.1250  3.546549E+00  5.418822E+00
    9.1750  3.396796E+00  5.445642E+00
    9.2250  3.320073E+00  5.472142E+00
    9.2750  2.730383E+00  5.494173E+00
    9.3250  2.730542E+00  5.516443E+00
    9.3750  2.401328E+00  5.536239E+00
    9.4250  2.222632E+00  5.554757E+00
    9.4750  2.237154E+00  5.573595E+00
    9.5250  1.791619E+00  5.588841E+00
    9.5750  1.819369E+00  5.604486E+00
    9.6250  1.874006E+00  5.620769E+00
    9.6750  1.754679E+00  5.636175E+00
    9.7250  1.322758E+00  5.647909E+00
    9.7750  1.122224E+00  5.657966E+00
    9.8250  1.119647E+00  5.668103E+00
    9.8750  1.012340E+00  5.677363E+00
    9.9250  8.639357E-01  5.685345E+00
    9.9750  6.927901E-01  5.691810E+00
   10.0250  7.197682E-01  5.698595E+00
   10.0750  7.377939E-01  5.705619E+00
   10.1250  6.724151E-01  5.712085E+00
   10.1750  5.918425E-01  5.717832E+00
   10.2250  7.895645E-01  5.725575E+00
   10.2750  6.932299E-01  5.732439E+00
   10.3250  5.508223E-01  5.737947E+00
   10.3750  5.139013E-01  5.743135E+00
   10.4250  5.011531E-01  5.748244E+00
   10.4750  5.661837E-01  5.754071E+00
   10.5250  7.528777E-01  5.761893E+00
   10.5750  5.935761E-01  5.768119E+00
   10.6250  5.880027E-01  5.774345E+00
   10.6750  5.451671E-01  5.780172E+00
   10.7250  7.250602E-01  5.787995E+00
   10.7750  5.277649E-01  5.793742E+00
   10.8250  6.972010E-01  5.801405E+00
   10.8750  5.684747E-01  5.807711E+00
   10.9250  7.058866E-01  5.815613E+00
   10.9750  5.581625E-01  5.821919E+00
   11.0250  7.491507E-01  5.830460E+00
   11.0750  5.689433E-01  5.837005E+00
   11.1250  6.119735E-01  5.844109E+00
   11.1750  6.337683E-01  5.851533E+00
   11.2250  6.348890E-01  5.859036E+00
   11.2750  7.162973E-01  5.867577E+00
   11.3250  6.502679E-01  5.875399E+00
   11.3750  5.590605E-01  5.882184E+00
   11.4250  5.737371E-01  5.889208E+00
   11.4750  5.881372E-01  5.896472E+00
   11.5250  5.958594E-01  5.903895E+00
   11.5750  6.034264E-01  5.911478E+00
   11.6250  6.486255E-01  5.919700E+00
   11.6750  4.682634E-01  5.925686E+00
   11.7250  5.695146E-01  5.933030E+00
   11.7750  5.217228E-01  5.939815E+00
   11.8250  4.382006E-01  5.945562E+00
   11.8750  4.405532E-01  5.951389E+00
   11.9250  4.488355E-01  5.957375E+00
   11.9750  3.204686E-01  5.961686E+00
   12.0250  3.354652E-01  5.966236E+00
   12.0750  2.918357E-01  5.970227E+00
   12.1250  3.820526E-01  5.975495E+00
   12.1750  2.870614E-01  5.979486E+00
   12.2250  3.359673E-01  5.984195E+00
   12.2750  2.259226E-01  5.987388E+00
   12.3250  1.848770E-01  5.990022E+00
   12.3750  1.722717E-01  5.992497E+00
   12.4250  1.102504E-01  5.994093E+00
   12.4750  1.257736E-01  5.995929E+00
   12.5250  5.967329E-02  5.996807E+00
   12.5750  6.458149E-02  5.997765E+00
   12.6250  4.805322E-02  5.998483E+00
   12.6750  4.767485E-02  5.999202E+00
   12.7250  1.051132E-02  5.999361E+00
   12.7750  1.042920E-02  5.999521E+00
   12.8250  1.552206E-02  5.999761E+00
   12.8750  1.540173E-02  6.000000E+00
   12.9250  0.000000E+00  6.000000E+00
   12.9750  0.000000E+00  6.000000E+00
   13.0250  0.000000E+00  6.000000E+00
   13.0750  0.000000E+00  6.000000E+00
   13.1250  0.000000E+00  6.000000E+00
   13.1750  0.000000E+00  6.000000E+00
   13.2250  0.000000E+00  6.000000E+00
   13.2750  0.000000E+00  6.000000E+00
   13.3250  0.000000E+00  6.000000E+00
   13.3750  0.000000E+00  6.000000E+00
   13.4250  0.000000E+00  6.000000E+00
   13.4750  0.000000E+00  6.000000E+00
   13.5250  0.000000E+00  6.000000E+00
   13.5750  0.000000E+00  6.000000E+00
   13.6250  0.000000E+00  6.000000E+00
   13.6750  0.000000E+00  6.000000E+00
   13.7250  0.000000E+00  6.000000E+00
   13.7750  0.000000E+00  6.000000E+00
   13.8250  0.000000E+00  6.000000E+00
   13.8750  0.000000E+00  6.000000E+00
   13.9250  0.000000E+00  6.000000E+00
   13.9750  0.000000E+00  6.000000E+00

g(r)  :H       O       

        r      g(r)         n(r)

    1.5750  0.000000E+00  0.000000E+00
    1.6250  0.000000E+00  0.000000E+00
    1.6750  3.033063E-01  7.982120E-05
    1.7250  1.143918E+00  3.991060E-04
    1.7750  1.890671E+00  9.578544E-04
    1.8250  1.175299E+01  4.629630E-03
    1.8750  1.452333E+01  9.418902E-03
    1.9250  1.814198E+01  1.572478E-02
    1.9750  1.854406E+01  2.250958E-02
    2.0250  2.012996E+01  3.025223E-02
    2.0750  2.332213E+01  3.967114E-02
    2.1250  2.091840E+01  4.853129E-02
    2.1750  1.960795E+01  5.723180E-02
    2.2250  1.753336E+01  6.537356E-02
    2.2750  1.627790E+01  7.327586E-02
    2.3250  1.416848E+01  8.045977E-02
    2.3750  1.750081E+01  8.971903E-02
    2.4250  1.577361E+01  9.841954E-02
    2.4750  1.514275E+01  1.071201E-01
    2.5250  1.281379E+01  1.147829E-01
    2.5750  1.193598E+01  1.222063E-01
    2.6250  1.358515E+01  1.309866E-01
    2.6750  1.153599E+01  1.387292E-01
    2.7250  1.065813E+01  1.461526E-01
    2.7750  1.127213E+01  1.542944E-01
    2.8250  9.383780E+00  1.613186E-01
    2.8750  1.008981E+01  1.691411E-01
    2.9250  1.193610E+01  1.787197E-01
    2.9750  8.365241E+00  1.856641E-01
    3.0250  9.113995E+00  1.934866E-01
    3.0750  8.100020E+00  2.006705E-01
    3.1250  9.411478E+00  2.092912E-01
    3.1750  1.029928E+01  2.190294E-01
    3.2250  1.120975E+01  2.299649E-01
    3.2750  8.331086E+00  2.383461E-01
    3.3250  9.698899E+00  2.484036E-01
    3.3750  1.001135E+01  2.590996E-01
    3.4250  9.866279E+00  2.699553E-01
    3.4750  7.681619E+00  2.786558E-01
    3.5250  8.492578E+00  2.885536E-01
    3.5750  7.058137E+00  2.970147E-01
    3.6250  7.253347E+00  3.059547E-01
    3.6750  7.309370E+00  3.152139E-01
    3.7250  7.666450E+00  3.251916E-01
    3.7750  6.688383E+00  3.341315E-01
    3.8250  6.107502E+00  3.425128E-01
    3.8750  7.311115E+00  3.528097E-01
    3.9250  6.739350E+00  3.625479E-01
    3.9750  6.517015E+00  3.722063E-01
    4.0250  6.618759E+00  3.822637E-01
    4.0750  6.816075E+00  3.928799E-01
    4.1250  6.751868E+00  4.036558E-01
    4.1750  7.030524E+00  4.151501E-01
    4.2250  7.437200E+00  4.276022E-01
    4.2750  7.264250E+00  4.400543E-01
    4.3250  8.052664E+00  4.541826E-01
    4.3750  7.691811E+00  4.679917E-01
    4.4250  7.562431E+00  4.818806E-01
    4.4750  9.051746E+00  4.988825E-01
    4.5250  8.894377E+00  5.159642E-01
    4.5750  9.514209E+00  5.346424E-01
    4.6250  9.627888E+00  5.539591E-01
    4.6750  8.761098E+00  5.719189E-01
    4.7250  1.002516E+01  5.929119E-01
    4.7750  1.041350E+01  6.151820E-01
    4.8250  1.125889E+01  6.397669E-01
    4.8750  1.145883E+01  6.653097E-01
    4.9250  1.003444E+01  6.881386E-01
    4.9750  1.100281E+01  7.136814E-01
    5.0250  1.112197E+01  7.400223E-01
    5.0750  1.110215E+01  7.668423E-01
    5.1250  1.237700E+01  7.973340E-01
    5.1750  1.188477E+01  8.271871E-01
    5.2250  1.390280E+01  8.627874E-01
    5.2750  1.168311E+01  8.932791E-01
    5.3250  1.377570E+01  9.299170E-01
    5.3750  1.378571E+01  9.672733E-01
    5.4250  1.382193E+01  1.005428E+00
    5.4750  1.516049E+01  1.048052E+00
    5.5250  1.444128E+01  1.089400E+00
    5.5750  1.579889E+01  1.135457E+00
    5.6250  1.627237E+01  1.183748E+00
    5.6750  1.741383E+01  1.236351E+00
    5.7250  1.586466E+01  1.285121E+00
    5.7750  1.778564E+01  1.340757E+00
    5.8250  1.720572E+01  1.395514E+00
    5.8750  1.684014E+01  1.450032E+00
    5.9250  1.665409E+01  1.504869E+00
    5.9750  1.516080E+01  1.555635E+00
    6.0250  1.434756E+01  1.604486E+00
    6.0750  1.461967E+01  1.655093E+00
    6.1250  1.415511E+01  1.704901E+00
    6.1750  1.403840E+01  1.755109E+00
    6.2250  1.425302E+01  1.806913E+00
    6.2750  1.298937E+01  1.854885E+00
    6.3250  1.338045E+01  1.905093E+00
    6.3750  1.361113E+01  1.956976E+00
    6.4250  1.302903E+01  2.007423E+00
    6.4750  1.248351E+01  2.056513E+00
    6.5250  1.235289E+01  2.105843E+00
    6.5750  1.289410E+01  2.158126E+00
    6.6250  1.397992E+01  2.215677E+00
    6.6750  1.275896E+01  2.268997E+00
    6.7250  1.288984E+01  2.323675E+00
    6.7750  1.410936E+01  2.384419E+00
    6.8250  1.432360E+01  2.446999E+00
    6.8750  1.343182E+01  2.506545E+00
    6.9250  1.283040E+01  2.564256E+00
    6.9750  1.259463E+01  2.621727E+00
    7.0250  1.132959E+01  2.674170E+00
    7.0750  1.093200E+01  2.725495E+00
    7.1250  1.052765E+01  2.775623E+00
    7.1750  9.373048E+00  2.820881E+00
    7.2250  9.064435E+00  2.865262E+00
    7.2750  9.358336E+00  2.911718E+00
    7.3250  8.501415E+00  2.954502E+00
    7.3750  8.308300E+00  2.996887E+00
    7.4250  7.625631E+00  3.036319E+00
    7.4750  7.691494E+00  3.076628E+00
    7.5250  7.123724E+00  3.114464E+00
    7.5750  7.341448E+00  3.153975E+00
    7.6250  5.942759E+00  3.186383E+00
    7.6750  6.443472E+00  3.221983E+00
    7.7250  5.675811E+00  3.253752E+00
    7.7750  6.250634E+00  3.289192E+00
    7.8250  5.350987E+00  3.319923E+00
    7.8750  5.969391E+00  3.354646E+00
    7.9250  5.162599E+00  3.385057E+00
    7.9750  5.164971E+00  3.415868E+00
    8.0250  5.034738E+00  3.446280E+00
    8.0750  4.776810E+00  3.475495E+00
    8.1250  5.195176E+00  3.507663E+00
    8.1750  5.144556E+00  3.539911E+00
    8.2250  4.943821E+00  3.571280E+00
    8.2750  5.008539E+00  3.603448E+00
    8.3250  5.280099E+00  3.637771E+00
    8.3750  4.768316E+00  3.669141E+00
    8.4250  4.891730E+00  3.701708E+00
    8.4750  4.928968E+00  3.734914E+00
    8.5250  5.269457E+00  3.770833E+00
    8.5750  4.548481E+00  3.802203E+00
    8.6250  4.587418E+00  3.834211E+00
    8.6750  4.308521E+00  3.864623E+00
    8.7250  4.404611E+00  3.896073E+00
    8.7750  4.022993E+00  3.925128E+00
    8.8250  4.228864E+00  3.956019E+00
    8.8750  4.224568E+00  3.987229E+00
    8.9250  4.305572E+00  4.019397E+00
    8.9750  4.025300E+00  4.049808E+00
    9.0250  3.667372E+00  4.077826E+00
    9.0750  3.461735E+00  4.104566E+00
    9.1250  3.638535E+00  4.132982E+00
    9.1750  3.326029E+00  4.159243E+00
    9.2250  3.370074E+00  4.186143E+00
    9.2750  3.046949E+00  4.210728E+00
    9.3250  3.229673E+00  4.237069E+00
    9.3750  3.021025E+00  4.261973E+00
    9.4250  3.008218E+00  4.287037E+00
    9.4750  2.777484E+00  4.310425E+00
    9.5250  2.917244E+00  4.335249E+00
    9.5750  2.645512E+00  4.357998E+00
    9.6250  2.305763E+00  4.378033E+00
    9.6750  2.482008E+00  4.399824E+00
    9.7250  2.015632E+00  4.417704E+00
    9.7750  1.941625E+00  4.435105E+00
    9.8250  2.071787E+00  4.453863E+00
    9.8750  1.684324E+00  4.469269E+00
    9.9250  1.822904E+00  4.486111E+00
    9.9750  1.513875E+00  4.500239E+00
   10.0250  1.507279E+00  4.514448E+00
   10.0750  1.551044E+00  4.529215E+00
   10.1250  1.627078E+00  4.544860E+00
   10.1750  1.372746E+00  4.558190E+00
   10.2250  1.481451E+00  4.572717E+00
   10.2750  1.289730E+00  4.585489E+00
   10.3250  1.125593E+00  4.596743E+00
   10.3750  1.257082E+00  4.609435E+00
   10.4250  1.111933E+00  4.620769E+00
   10.4750  1.264218E+00  4.633780E+00
   10.5250  1.298330E+00  4.647270E+00
   10.5750  1.232812E+00  4.660201E+00
   10.6250  1.108159E+00  4.671935E+00
   10.6750  1.194887E+00  4.684706E+00
   10.7250  1.057996E+00  4.696121E+00
   10.7750  1.099510E+00  4.708094E+00
   10.8250  9.441264E-01  4.718471E+00
   10.8750  9.786400E-01  4.729326E+00
   10.9250  1.226389E+00  4.743056E+00
   10.9750  1.031541E+00  4.754709E+00
   11.0250  1.071216E+00  4.766922E+00
   11.0750  1.019935E+00  4.778656E+00
   11.1250  9.970355E-01  4.790230E+00
   11.1750  1.015392E+00  4.802123E+00
   11.2250  1.026629E+00  4.814256E+00
   11.2750  9.372115E-01  4.825431E+00
   11.3250  8.626003E-01  4.835808E+00
   11.3750  7.366444E-01  4.844748E+00
   11.4250  7.236911E-01  4.853608E+00
   11.4750  6.333786E-01  4.861430E+00
   11.5250  5.638239E-01  4.868455E+00
   11.5750  5.526115E-01  4.875399E+00
   11.6250  6.675175E-01  4.883860E+00
   11.6750  5.931336E-01  4.891443E+00
   11.7250  4.952301E-01  4.897829E+00
   11.7750  6.015157E-01  4.905651E+00
   11.8250  5.416646E-01  4.912755E+00
   11.8750  4.948680E-01  4.919301E+00
   11.9250  4.308821E-01  4.925048E+00
   11.9750  5.459835E-01  4.932391E+00
   12.0250  4.825990E-01  4.938937E+00
   12.0750  3.677130E-01  4.943966E+00
   12.1250  3.936300E-01  4.949393E+00
   12.1750  3.100263E-01  4.953704E+00
   12.2250  3.131899E-01  4.958094E+00
   12.2750  3.558282E-01  4.963123E+00
   12.3250  2.857190E-01  4.967193E+00
   12.3750  3.389863E-01  4.972063E+00
   12.4250  2.811384E-01  4.976133E+00
   12.4750  1.859262E-01  4.978847E+00
   12.5250  1.952944E-01  4.981721E+00
   12.5750  1.291630E-01  4.983637E+00
   12.6250  9.076720E-02  4.984994E+00
   12.6750  1.324302E-01  4.986989E+00
   12.7250  8.409055E-02  4.988266E+00
   12.7750  7.300440E-02  4.989384E+00
   12.8250  6.208824E-02  4.990342E+00
   12.8750  6.160693E-02  4.991299E+00
   12.9250  3.565987E-02  4.991858E+00
   12.9750  2.527540E-02  4.992257E+00
   13.0250  1.053432E-01  4.993934E+00
   13.0750  5.973663E-02  4.994891E+00
   13.1250  4.446177E-02  4.995610E+00
   13.1750  5.393048E-02  4.996488E+00
   13.2250  5.352346E-02  4.997366E+00
   13.2750  5.795021E-02  4.998324E+00
   13.3250  3.834409E-02  4.998962E+00
   13.3750  1.427173E-02  4.999202E+00
   13.4250  0.000000E+00  4.999202E+00
   13.4750  9.373792E-03  4.999361E+00
   13.5250  1.860923E-02  4.999681E+00
   13.5750  9.236197E-03  4.999840E+00
   13.6250  4.584267E-03  4.999920E+00
   13.6750  0.000000E+00  4.999920E+00
   13.7250  0.000000E+00  4.999920E+00
   13.7750  0.000000E+00  4.999920E+00
   13.8250  4.452589E-03  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :H       K       

        r      g(r)         n(r)

    3.0750  0.000000E+00  0.000000E+00
    3.1250  0.000000E+00  0.000000E+00
    3.1750  1.500805E-01  7.982120E-05
    3.2250  2.909261E-01  2.394636E-04
    3.2750  2.821109E-01  3.991060E-04
    3.3250  1.368451E-01  4.789272E-04
    3.3750  5.312823E-01  7.982120E-04
    3.4250  1.160739E+00  1.516603E-03
    3.4750  1.002291E+00  2.155172E-03
    3.5250  1.095816E+00  2.873563E-03
    3.5750  7.102527E-01  3.352490E-03
    3.6250  9.210600E-01  3.991060E-03
    3.6750  1.792336E+00  5.268199E-03
    3.7250  1.308407E+00  6.226054E-03
    3.7750  1.380143E+00  7.263729E-03
    3.8250  1.344297E+00  8.301405E-03
    3.8750  1.309829E+00  9.339080E-03
    3.9250  1.767698E+00  1.077586E-02
    3.9750  1.244756E+00  1.181354E-02
    4.0250  1.961114E+00  1.348978E-02
    4.0750  1.275523E+00  1.460728E-02
    4.1250  1.689356E+00  1.612388E-02
    4.1750  1.996322E+00  1.795977E-02
    4.2250  1.440825E+00  1.931673E-02
    4.2750  1.572886E+00  2.083333E-02
    4.3250  2.183773E+00  2.298851E-02
    4.3750  2.134144E+00  2.514368E-02
    4.4250  1.390792E+00  2.658046E-02
    4.4750  2.115379E+00  2.881545E-02
    4.5250  1.995001E+00  3.097063E-02
    4.5750  3.108156E+00  3.440294E-02
    4.6250  3.041316E+00  3.783525E-02
    4.6750  4.568750E+00  4.310345E-02
    4.7250  4.337037E+00  4.821201E-02
    4.7750  4.777521E+00  5.395913E-02
    4.8250  4.224114E+00  5.914751E-02
    4.8750  3.946931E+00  6.409642E-02
    4.9250  5.613674E+00  7.128033E-02
    4.9750  5.379150E+00  7.830460E-02
    5.0250  5.452385E+00  8.556833E-02
    5.0750  5.227996E+00  9.267241E-02
    5.1250  6.393706E+00  1.015326E-01
    5.1750  5.988287E+00  1.099936E-01
    5.2250  5.985063E+00  1.186143E-01
    5.2750  7.612034E+00  1.297893E-01
    5.3250  7.256335E+00  1.406450E-01
    5.3750  6.650656E+00  1.507822E-01
    5.4250  7.556760E+00  1.625160E-01
    5.4750  7.772671E+00  1.748084E-01
    5.5250  6.542252E+00  1.853448E-01
    5.5750  5.305847E+00  1.940453E-01
    5.6250  4.685965E+00  2.018678E-01
    5.6750  4.744688E+00  2.099298E-01
    5.7250  3.231210E+00  2.155172E-01
    5.7750  2.857950E+00  2.205460E-01
    5.8250  1.694376E+00  2.235792E-01
    5.8750  1.972491E+00  2.271711E-01
    5.9250  1.034315E+00  2.290868E-01
    5.9750  1.652750E+00  2.321999E-01
    6.0250  1.292010E+00  2.346743E-01
    6.0750  6.149178E-01  2.358716E-01
    6.1250  1.330823E+00  2.385057E-01
    6.1750  9.125830E-01  2.403416E-01
    6.2250  8.979820E-01  2.421775E-01
    6.2750  8.453056E-01  2.439336E-01
    6.3250  6.807224E-01  2.453704E-01
    6.3750  6.328593E-01  2.467273E-01
    6.4250  4.397984E-01  2.476852E-01
    6.4750  6.134626E-01  2.490421E-01
    6.5250  7.107022E-01  2.506386E-01
    6.5750  4.549572E-01  2.516762E-01
    6.6250  4.136455E-01  2.526341E-01
    6.6750  5.772517E-01  2.539911E-01
    6.7250  4.348882E-01  2.550287E-01
    6.7750  5.603369E-01  2.563857E-01
    6.8250  3.247982E-01  2.571839E-01
    6.8750  7.682185E-01  2.590996E-01
    6.9250  6.940681E-01  2.608557E-01
    6.9750  6.219573E-01  2.624521E-01
    7.0250  6.131353E-01  2.640485E-01
    7.0750  6.649497E-01  2.658046E-01
    7.1250  5.364408E-01  2.672414E-01
    7.1750  7.934856E-01  2.693966E-01
    7.2250  2.898300E-01  2.701948E-01
    7.2750  4.002038E-01  2.713123E-01
    7.3250  5.921384E-01  2.729885E-01
    7.3750  4.728725E-01  2.743455E-01
    7.4250  3.841973E-01  2.754630E-01
    7.4750  4.061515E-01  2.766603E-01
    7.5250  5.076447E-01  2.781769E-01
    7.5750  4.218655E-01  2.794540E-01
    7.6250  3.122632E-01  2.804119E-01
    7.6750  1.797879E-01  2.809706E-01
    7.7250  5.070518E-01  2.825670E-01
    7.7750  2.753032E-01  2.834451E-01
    7.8250  3.706312E-01  2.846424E-01
    7.8750  3.659397E-01  2.858397E-01
    7.9250  4.576932E-01  2.873563E-01
    7.9750  5.233361E-01  2.891124E-01
    8.0250  6.577902E-01  2.913474E-01
    8.0750  3.944421E-01  2.927043E-01
    8.1250  4.354380E-01  2.942209E-01
    8.1750  4.527662E-01  2.958174E-01
    8.2250  6.485533E-01  2.981322E-01
    8.2750  7.070229E-01  3.006865E-01
    8.3250  4.365973E-01  3.022829E-01
    8.3750  5.608197E-01  3.043582E-01
    8.4250  5.328681E-01  3.063538E-01
    8.4750  8.636227E-01  3.096264E-01
    8.5250  5.620754E-01  3.117816E-01
    8.5750  5.761153E-01  3.140166E-01
    8.6250  7.321565E-01  3.168902E-01
    8.6750  5.629097E-01  3.191252E-01
    8.7250  7.154698E-01  3.219987E-01
    8.7750  5.108563E-01  3.240741E-01
    8.8250  5.633629E-01  3.263889E-01
    8.8750  8.451536E-01  3.299010E-01
    8.9250  6.267830E-01  3.325351E-01
    8.9750  6.010364E-01  3.350894E-01
    9.0250  6.501197E-01  3.378831E-01
    9.0750  6.062342E-01  3.405172E-01
    9.1250  5.269289E-01  3.428321E-01
    9.1750  7.368710E-01  3.461047E-01
    9.2250  5.155669E-01  3.484195E-01
    9.2750  6.331323E-01  3.512931E-01
    9.3250  7.133554E-01  3.545658E-01
    9.3750  9.123325E-01  3.587963E-01
    9.4250  3.917283E-01  3.606322E-01
    9.4750  5.898335E-01  3.634259E-01
    9.5250  4.168981E-01  3.654215E-01
    9.5750  6.600887E-01  3.686143E-01
    9.6250  6.205860E-01  3.716475E-01
    9.6750  5.980254E-01  3.746009E-01
    9.7250  6.078890E-01  3.776341E-01
    9.7750  8.075260E-01  3.817050E-01
    9.8250  5.328853E-01  3.844189E-01
    9.8750  5.585322E-01  3.872925E-01
    9.9250  8.140194E-01  3.915230E-01
    9.9750  7.146477E-01  3.952746E-01
   10.0250  6.623749E-01  3.987867E-01
   10.0750  6.856266E-01  4.024585E-01
   10.1250  6.198394E-01  4.058110E-01
   10.1750  6.868296E-01  4.095626E-01
   10.2250  7.958955E-01  4.139527E-01
   10.2750  6.878560E-01  4.177842E-01
   10.3250  8.798964E-01  4.227331E-01
   10.3750  9.698239E-01  4.282407E-01
   10.4250  1.002306E+00  4.339879E-01
   10.4750  1.103067E+00  4.403736E-01
   10.5250  1.037981E+00  4.464400E-01
   10.5750  1.055246E+00  4.526660E-01
   10.6250  1.058740E+00  4.589719E-01
   10.6750  9.559095E-01  4.647190E-01
   10.7250  7.365691E-01  4.691890E-01
   10.7750  8.861238E-01  4.746169E-01
   10.8250  9.037791E-01  4.802043E-01
   10.8750  7.419755E-01  4.848340E-01
   10.9250  6.591444E-01  4.889847E-01
   10.9750  9.546070E-01  4.950511E-01
   11.0250  7.841578E-01  5.000798E-01
   11.0750  6.660800E-01  5.043902E-01
   11.1250  6.845546E-01  5.088602E-01
   11.1750  7.511328E-01  5.138091E-01
   11.2250  6.483973E-01  5.181194E-01
   11.2750  6.188571E-01  5.222701E-01
   11.3250  6.959783E-01  5.269796E-01
   11.3750  4.677107E-01  5.301724E-01
   11.4250  6.143044E-01  5.344029E-01
   11.4750  7.123714E-01  5.393519E-01
   11.5250  5.581287E-01  5.432631E-01
   11.5750  5.984861E-01  5.474936E-01
   11.6250  4.702010E-01  5.508461E-01
   11.6750  6.326758E-01  5.553959E-01
   11.7250  6.162863E-01  5.598659E-01
   11.7750  6.547110E-01  5.646552E-01
   11.8250  7.357441E-01  5.700830E-01
   11.8750  7.402903E-01  5.755907E-01
   11.9250  7.660126E-01  5.813378E-01
   11.9750  6.857764E-01  5.865262E-01
   12.0250  7.323996E-01  5.921137E-01
   12.0750  7.886050E-01  5.981801E-01
   12.1250  8.541513E-01  6.048052E-01
   12.1750  7.144640E-01  6.103927E-01
   12.2250  7.693715E-01  6.164591E-01
   12.2750  7.028704E-01  6.220466E-01
   12.3250  8.266554E-01  6.286718E-01
   12.3750  8.595063E-01  6.356162E-01
   12.4250  8.918028E-01  6.428799E-01
   12.4750  9.429982E-01  6.506226E-01
   12.5250  1.099435E+00  6.597222E-01
   12.5750  1.004601E+00  6.681034E-01
   12.6250  1.091579E+00  6.772829E-01
   12.6750  1.007646E+00  6.858238E-01
   12.7250  1.111864E+00  6.953225E-01
   12.7750  9.826624E-01  7.037835E-01
   12.8250  1.168179E+00  7.139208E-01
   12.8750  1.031346E+00  7.229406E-01
   12.9250  1.059608E+00  7.322797E-01
   12.9750  9.346283E-01  7.405811E-01
   13.0250  1.052318E+00  7.500000E-01
   13.0750  8.318878E-01  7.575032E-01
   13.1250  9.573003E-01  7.662037E-01
   13.1750  1.098221E+00  7.762612E-01
   13.2250  8.390748E-01  7.840038E-01
   13.2750  1.047396E+00  7.937420E-01
   13.3250  9.287790E-01  8.024425E-01
   13.3750  1.031793E+00  8.121807E-01
   13.4250  1.024122E+00  8.219189E-01
   13.4750  9.832066E-01  8.313378E-01
   13.5250  9.511382E-01  8.405172E-01
   13.5750  7.471057E-01  8.477810E-01
   13.6250  8.231305E-01  8.558429E-01
   13.6750  8.899352E-01  8.646232E-01
   13.7250  9.557463E-01  8.741220E-01
   13.7750  8.690878E-01  8.828225E-01
   13.8250  8.707285E-01  8.916028E-01
   13.8750  9.116169E-01  9.008621E-01
   13.9250  8.972796E-01  9.100415E-01
   13.9750  9.760842E-01  9.200990E-01

g(r)  :H       cl      

        r      g(r)         n(r)

    7.7250  0.000000E+00  0.000000E+00
    7.7750  0.000000E+00  0.000000E+00
    7.8250  7.412623E-02  2.394636E-04
    7.8750  4.879196E-02  3.991060E-04
    7.9250  0.000000E+00  3.991060E-04
    7.9750  0.000000E+00  3.991060E-04
    8.0250  4.698501E-02  5.587484E-04
    8.0750  4.640496E-02  7.183908E-04
    8.1250  1.145889E-01  1.117497E-03
    8.1750  2.263831E-02  1.197318E-03
    8.2250  6.709172E-02  1.436782E-03
    8.2750  1.104723E-01  1.835888E-03
    8.3250  0.000000E+00  1.835888E-03
    8.3750  8.627996E-02  2.155172E-03
    8.4250  4.262945E-02  2.314815E-03
    8.4750  6.319190E-02  2.554278E-03
    8.5250  4.163522E-02  2.713921E-03
    8.5750  8.230218E-02  3.033206E-03
    8.6250  6.101304E-02  3.272669E-03
    8.6750  1.005196E-01  3.671775E-03
    8.7250  9.937080E-02  4.070881E-03
    8.7750  1.375382E-01  4.629630E-03
    8.8250  7.770523E-02  4.948914E-03
    8.8750  1.152482E-01  5.427842E-03
    8.9250  1.139605E-01  5.906769E-03
    8.9750  5.634716E-02  6.146232E-03
    9.0250  1.485988E-01  6.784802E-03
    9.0750  1.837073E-01  7.583014E-03
    9.1250  1.453597E-01  8.221584E-03
    9.1750  1.258072E-01  8.780332E-03
    9.2250  3.022289E-01  1.013729E-02
    9.2750  1.934571E-01  1.101533E-02
    9.3250  2.261859E-01  1.205300E-02
    9.3750  3.098488E-01  1.348978E-02
    9.4250  1.873483E-01  1.436782E-02
    9.4750  2.359334E-01  1.548531E-02
    9.5250  1.167315E-01  1.604406E-02
    9.5750  2.640355E-01  1.732120E-02
    9.6250  1.633121E-01  1.811941E-02
    9.6750  3.717455E-01  1.995530E-02
    9.7250  3.999270E-01  2.195083E-02
    9.7750  2.533415E-01  2.322797E-02
    9.8250  3.918274E-01  2.522350E-02
    9.8750  5.119878E-01  2.785760E-02
    9.9250  4.146891E-01  3.001277E-02
    9.9750  5.321844E-01  3.280651E-02
   10.0250  4.516192E-01  3.520115E-02
   10.0750  3.875281E-01  3.727650E-02
   10.1250  4.870167E-01  3.991060E-02
   10.1750  4.091751E-01  4.214559E-02
   10.2250  5.209498E-01  4.501916E-02
   10.2750  4.155797E-01  4.733397E-02
   10.3250  5.250995E-01  5.028736E-02
   10.3750  5.903276E-01  5.363985E-02
   10.4250  6.125204E-01  5.715198E-02
   10.4750  6.204753E-01  6.074393E-02
   10.5250  5.189905E-01  6.377714E-02
   10.5750  7.170264E-01  6.800766E-02
   10.6250  5.896779E-01  7.151980E-02
   10.6750  5.841669E-01  7.503193E-02
   10.7250  3.682845E-01  7.726692E-02
   10.7750  4.821556E-01  8.022031E-02
   10.8250  3.486005E-01  8.237548E-02
   10.8750  6.524267E-01  8.644636E-02
   10.9250  5.830892E-01  9.011814E-02
   10.9750  6.782734E-01  9.442848E-02
   11.0250  8.588395E-01  9.993614E-02
   11.0750  7.770933E-01  1.049649E-01
   11.1250  8.434691E-01  1.104725E-01
   11.1750  8.117081E-01  1.158206E-01
   11.2250  7.204414E-01  1.206098E-01
   11.2750  6.783626E-01  1.251596E-01
   11.3250  9.083107E-01  1.313059E-01
   11.3750  1.052349E+00  1.384898E-01
   11.4250  9.736145E-01  1.451948E-01
   11.4750  9.996179E-01  1.521392E-01
   11.5250  1.036525E+00  1.594029E-01
   11.5750  6.436548E-01  1.639527E-01
   11.6250  8.060588E-01  1.696999E-01
   11.6750  7.214725E-01  1.748883E-01
   11.7250  7.043272E-01  1.799968E-01
   11.7750  4.910332E-01  1.835888E-01
   11.8250  6.708255E-01  1.885377E-01
   11.8750  5.471711E-01  1.926086E-01
   11.9250  4.681188E-01  1.961207E-01
   11.9750  4.747683E-01  1.997126E-01
   12.0250  5.231426E-01  2.037037E-01
   12.0750  4.461844E-01  2.071360E-01
   12.1250  5.660039E-01  2.115262E-01
   12.1750  4.286784E-01  2.148787E-01
   12.2250  3.948091E-01  2.179917E-01
   12.2750  3.413942E-01  2.207056E-01
   12.3250  4.880255E-01  2.246169E-01
   12.3750  4.742104E-01  2.284483E-01
   12.4250  3.430011E-01  2.312420E-01
   12.4750  4.471950E-01  2.349138E-01
   12.5250  2.796809E-01  2.372286E-01
   12.5750  4.209756E-01  2.407407E-01
   12.6250  3.986638E-01  2.440932E-01
   12.6750  3.484384E-01  2.470466E-01
   12.7250  5.045433E-01  2.513570E-01
   12.7750  3.708160E-01  2.545498E-01
   12.8250  5.426972E-01  2.592593E-01
   12.8750  7.301563E-01  2.656450E-01
   12.9250  3.894284E-01  2.690773E-01
   12.9750  4.942746E-01  2.734674E-01
   13.0250  5.350768E-01  2.782567E-01
   13.0750  3.451450E-01  2.813697E-01
   13.1250  6.499103E-01  2.872765E-01
   13.1750  6.275547E-01  2.930236E-01
   13.2250  7.093210E-01  2.995690E-01
   13.2750  6.524765E-01  3.056354E-01
   13.3250  6.135054E-01  3.113825E-01
   13.3750  7.442441E-01  3.184068E-01
   13.4250  8.310496E-01  3.263091E-01
   13.4750  1.099858E+00  3.368455E-01
   13.5250  1.025575E+00  3.467433E-01
   13.5750  1.157603E+00  3.579981E-01
   13.6250  9.535274E-01  3.673372E-01
   13.6750  1.229729E+00  3.794700E-01
   13.7250  1.236848E+00  3.917625E-01
   13.7750  1.315592E+00  4.049330E-01
   13.8250  1.242767E+00  4.174649E-01
   13.8750  1.312414E+00  4.307950E-01
   13.9250  1.139155E+00  4.424489E-01
   13.9750  1.045805E+00  4.532248E-01

g(r)  :H       OW      

        r      g(r)         n(r)

    1.6250  0.000000E+00  0.000000E+00
    1.6750  0.000000E+00  0.000000E+00
    1.7250  8.732196E-03  1.596424E-04
    1.7750  1.649440E-02  4.789272E-04
    1.8250  5.070987E-02  1.516603E-03
    1.8750  3.325954E-02  2.234994E-03
    1.9250  2.804828E-02  2.873563E-03
    1.9750  3.996924E-02  3.831418E-03
    2.0250  3.485159E-02  4.709451E-03
    2.0750  5.733218E-02  6.226054E-03
    2.1250  5.754322E-02  7.822478E-03
    2.1750  3.570325E-02  8.860153E-03
    2.2250  5.773597E-02  1.061622E-02
    2.2750  5.773639E-02  1.245211E-02
    2.3250  4.085906E-02  1.380907E-02
    2.3750  3.915685E-02  1.516603E-02
    2.4250  5.744292E-02  1.724138E-02
    2.4750  4.241963E-02  1.883780E-02
    2.5250  5.298323E-02  2.091315E-02
    2.5750  5.094567E-02  2.298851E-02
    2.6250  3.771033E-02  2.458493E-02
    2.6750  5.083934E-02  2.681992E-02
    2.7250  3.499346E-02  2.841635E-02
    2.7750  3.711821E-02  3.017241E-02
    2.8250  4.883994E-02  3.256705E-02
    2.8750  5.344343E-02  3.528097E-02
    2.9250  6.833643E-02  3.887292E-02
    2.9750  4.991106E-02  4.158685E-02
    3.0250  6.247325E-02  4.509898E-02
    3.0750  5.771006E-02  4.845147E-02
    3.1250  4.922599E-02  5.140485E-02
    3.1750  4.768781E-02  5.435824E-02
    3.2250  6.121108E-02  5.826948E-02
    3.2750  5.814498E-02  6.210089E-02
    3.3250  4.935826E-02  6.545338E-02
    3.3750  5.360983E-02  6.920498E-02
    3.4250  5.094846E-02  7.287676E-02
    3.4750  5.056882E-02  7.662835E-02
    3.5250  4.914444E-02  8.037995E-02
    3.5750  6.302815E-02  8.532886E-02
    3.6250  6.624513E-02  9.067688E-02
    3.6750  7.503697E-02  9.690294E-02
    3.7250  6.648158E-02  1.025702E-01
    3.7750  9.026035E-02  1.104725E-01
    3.8250  6.482699E-02  1.162995E-01
    3.8750  6.229958E-02  1.220466E-01
    3.9250  7.674644E-02  1.293103E-01
    3.9750  8.058388E-02  1.371328E-01
    4.0250  8.661407E-02  1.457535E-01
    4.0750  8.684891E-02  1.546137E-01
    4.1250  1.015548E-01  1.652299E-01
    4.1750  1.214987E-01  1.782407E-01
    4.2250  1.200957E-01  1.914112E-01
    4.2750  1.158811E-01  2.044221E-01
    4.3250  1.396115E-01  2.204662E-01
    4.3750  1.405114E-01  2.369891E-01
    4.4250  1.287279E-01  2.524745E-01
    4.4750  1.583074E-01  2.719508E-01
    4.5250  1.725955E-01  2.936622E-01
    4.5750  1.688435E-01  3.153736E-01
    4.6250  1.627830E-01  3.367656E-01
    4.6750  1.878546E-01  3.619891E-01
    4.7250  1.897195E-01  3.880109E-01
    4.7750  1.983036E-01  4.157886E-01
    4.8250  2.394202E-01  4.500319E-01
    4.8750  2.088394E-01  4.805236E-01
    4.9250  2.260468E-01  5.142082E-01
    4.9750  2.356995E-01  5.500479E-01
    5.0250  2.433815E-01  5.878033E-01
    5.0750  2.880465E-01  6.333812E-01
    5.1250  2.804749E-01  6.786398E-01
    5.1750  2.973983E-01  7.275702E-01
    5.2250  3.060111E-01  7.788953E-01
    5.2750  3.576701E-01  8.400383E-01
    5.3250  3.656474E-01  9.037356E-01
    5.3750  3.840607E-01  9.719029E-01
    5.4250  4.026191E-01  1.044700E+00
    5.4750  4.377762E-01  1.125319E+00
    5.5250  4.916053E-01  1.217513E+00
    5.5750  4.970399E-01  1.312420E+00
    5.6250  5.190405E-01  1.413314E+00
    5.6750  5.369645E-01  1.519556E+00
    5.7250  5.478433E-01  1.629869E+00
    5.7750  5.415146E-01  1.740821E+00
    5.8250  5.429799E-01  1.854007E+00
    5.8750  5.525986E-01  1.971185E+00
    5.9250  5.329485E-01  2.086127E+00
    5.9750  5.706499E-01  2.211287E+00
    6.0250  5.766085E-01  2.339879E+00
    6.0750  5.548343E-01  2.465677E+00
    6.1250  5.721337E-01  2.597542E+00
    6.1750  6.020913E-01  2.738586E+00
    6.2250  5.894404E-01  2.878911E+00
    6.2750  6.025222E-01  3.024665E+00
    6.3250  5.777696E-01  3.166667E+00
    6.3750  5.863255E-01  3.313059E+00
    6.4250  6.118569E-01  3.468231E+00
    6.4750  5.841599E-01  3.618694E+00
    6.5250  5.959930E-01  3.774585E+00
    6.5750  5.854603E-01  3.930077E+00
    6.6250  6.148437E-01  4.095865E+00
    6.6750  6.071251E-01  4.262053E+00
    6.7250  5.966944E-01  4.427842E+00
    6.7750  6.196226E-01  4.602570E+00
    6.8250  6.320548E-01  4.783445E+00
    6.8750  6.105248E-01  4.960728E+00
    6.9250  6.244987E-01  5.144716E+00
    6.9750  6.342718E-01  5.334291E+00
    7.0250  6.244854E-01  5.523627E+00
    7.0750  6.190643E-01  5.714001E+00
    7.1250  6.211555E-01  5.907727E+00
    7.1750  6.264094E-01  6.105843E+00
    7.2250  6.257342E-01  6.306513E+00
    7.2750  6.613509E-01  6.521552E+00
    7.3250  6.555010E-01  6.737628E+00
    7.3750  6.435376E-01  6.952666E+00
    7.4250  6.532821E-01  7.173930E+00
    7.4750  6.466645E-01  7.395913E+00
    7.5250  6.644863E-01  7.627075E+00
    7.5750  6.466859E-01  7.855045E+00
    7.6250  6.576746E-01  8.089958E+00
    7.6750  6.325909E-01  8.318886E+00
    7.7250  6.653604E-01  8.562819E+00
    7.7750  6.458687E-01  8.802682E+00
    7.8250  6.688336E-01  9.054278E+00
    7.8750  6.878130E-01  9.316331E+00
    7.9250  6.822644E-01  9.579582E+00
    7.9750  6.747577E-01  9.843231E+00
    8.0250  6.574988E-01  1.010337E+01
    8.0750  6.900302E-01  1.037979E+01
    8.1250  6.721167E-01  1.065238E+01
    8.1750  6.790844E-01  1.093119E+01
    8.2250  6.748864E-01  1.121169E+01
    8.2750  6.931296E-01  1.150327E+01
    8.3250  6.837039E-01  1.179438E+01
    8.3750  7.029799E-01  1.209730E+01
    8.4250  6.913659E-01  1.239879E+01
    8.4750  6.995126E-01  1.270746E+01
    8.5250  7.065274E-01  1.302291E+01
    8.5750  6.991955E-01  1.333876E+01
    8.6250  7.339031E-01  1.367417E+01
    8.6750  7.157992E-01  1.400511E+01
    8.7250  7.164938E-01  1.434020E+01
    8.7750  7.505358E-01  1.469524E+01
    8.8250  7.545674E-01  1.505627E+01
    8.8750  7.535122E-01  1.542090E+01
    8.9250  7.868497E-01  1.580595E+01
    8.9750  7.945595E-01  1.619915E+01
    9.0250  8.012531E-01  1.660010E+01
    9.0750  8.019140E-01  1.700583E+01
    9.1250  8.454233E-01  1.743830E+01
    9.1750  8.218801E-01  1.786335E+01
    9.2250  8.354382E-01  1.830013E+01
    9.2750  8.436729E-01  1.874601E+01
    9.3250  8.306155E-01  1.918973E+01
    9.3750  8.556320E-01  1.965174E+01
    9.4250  8.421898E-01  2.011135E+01
    9.4750  8.207337E-01  2.056402E+01
    9.5250  8.435025E-01  2.103416E+01
    9.5750  8.620676E-01  2.151972E+01
    9.6250  8.751534E-01  2.201780E+01
    9.6750  8.654373E-01  2.251549E+01
    9.7250  8.586218E-01  2.301437E+01
    9.7750  8.623704E-01  2.352059E+01
    9.8250  8.659984E-01  2.403416E+01
    9.8750  8.822997E-01  2.456274E+01
    9.9250  8.689478E-01  2.508860E+01
    9.9750  8.597361E-01  2.561414E+01
   10.0250  8.823382E-01  2.615892E+01
   10.0750  8.826902E-01  2.670937E+01
   10.1250  8.706986E-01  2.725774E+01
   10.1750  8.597780E-01  2.780460E+01
   10.2250  8.882989E-01  2.837516E+01
   10.2750  8.939503E-01  2.895498E+01
   10.3250  8.817788E-01  2.953249E+01
   10.3750  8.944235E-01  3.012396E+01
   10.4250  8.876578E-01  3.071663E+01
   10.4750  9.007548E-01  3.132383E+01
   10.5250  8.899884E-01  3.192952E+01
   10.5750  8.691609E-01  3.252666E+01
   10.6250  8.872407E-01  3.314200E+01
   10.6750  8.764404E-01  3.375559E+01
   10.7250  8.906527E-01  3.438498E+01
   10.7750  8.997519E-01  3.502674E+01
   10.8250  8.963380E-01  3.567201E+01
   10.8750  9.144813E-01  3.633645E+01
   10.9250  8.731461E-01  3.697669E+01
   10.9750  9.057668E-01  3.764695E+01
   11.0250  8.851705E-01  3.830795E+01
   11.0750  9.142711E-01  3.899689E+01
   11.1250  9.155195E-01  3.969301E+01
   11.1750  9.187898E-01  4.039791E+01
   11.2250  9.044358E-01  4.109802E+01
   11.2750  9.148288E-01  4.181250E+01
   11.3250  9.235851E-01  4.254023E+01
   11.3750  9.310478E-01  4.328033E+01
   11.4250  9.238123E-01  4.402115E+01
   11.4750  9.227849E-01  4.476764E+01
   11.5250  9.265337E-01  4.552371E+01
   11.5750  9.264013E-01  4.628624E+01
   11.6250  9.339284E-01  4.706162E+01
   11.6750  9.547330E-01  4.786111E+01
   11.7250  9.536014E-01  4.866651E+01
   11.7750  9.577022E-01  4.948228E+01
   11.8250  9.723852E-01  5.031761E+01
   11.8750  9.654118E-01  5.115398E+01
   11.9250  9.817278E-01  5.201165E+01
   11.9750  9.891308E-01  5.288306E+01
   12.0250  9.775078E-01  5.375144E+01
   12.0750  9.843107E-01  5.463314E+01
   12.1250  9.922940E-01  5.552937E+01
   12.1750  9.965195E-01  5.643686E+01
   12.2250  9.996864E-01  5.735473E+01
   12.2750  1.001734E+00  5.828201E+01
   12.3250  1.004913E+00  5.921983E+01
   12.3750  1.006820E+00  6.016707E+01
   12.4250  9.973028E-01  6.111295E+01
   12.4750  1.021300E+00  6.208940E+01
   12.5250  1.016061E+00  6.306865E+01
   12.5750  1.021719E+00  6.406122E+01
   12.6250  1.016495E+00  6.505659E+01
   12.6750  1.026445E+00  6.606968E+01
   12.7250  1.025776E+00  6.709012E+01
   12.7750  1.023893E+00  6.811670E+01
   12.8250  1.020111E+00  6.914751E+01
   12.8750  1.022158E+00  7.018846E+01
   12.9250  1.022742E+00  7.123811E+01
   12.9750  1.027841E+00  7.230117E+01
   13.0250  1.023641E+00  7.336806E+01
   13.0750  1.023959E+00  7.444349E+01
   13.1250  1.040684E+00  7.554486E+01
   13.1750  1.040136E+00  7.665405E+01
   13.2250  1.036223E+00  7.776748E+01
   13.2750  1.039860E+00  7.889328E+01
   13.3250  1.050072E+00  8.003871E+01
   13.3750  1.046884E+00  8.118926E+01
   13.4250  1.038956E+00  8.233964E+01
   13.4750  1.048219E+00  8.350894E+01
   13.5250  1.056606E+00  8.469636E+01
   13.5750  1.042421E+00  8.587652E+01
   13.6250  1.051582E+00  8.707583E+01
   13.6750  1.045087E+00  8.827650E+01
   13.7250  1.048798E+00  8.949026E+01
   13.7750  1.048662E+00  9.071272E+01
   13.8250  1.066378E+00  9.196488E+01
   13.8750  1.063026E+00  9.322214E+01
   13.9250  1.069276E+00  9.449593E+01
   13.9750  1.081729E+00  9.579382E+01

g(r)  :H       HW      

        r      g(r)         n(r)

    1.6750  0.000000E+00  0.000000E+00
    1.7250  0.000000E+00  0.000000E+00
    1.7750  8.247202E-03  3.192848E-04
    1.8250  7.801519E-03  6.385696E-04
    1.8750  7.391010E-03  9.578544E-04
    1.9250  5.259052E-03  1.197318E-03
    1.9750  1.165770E-02  1.756066E-03
    2.0250  1.900996E-02  2.713921E-03
    2.0750  7.543708E-03  3.113027E-03
    2.1250  2.014013E-02  4.230524E-03
    2.1750  2.059803E-02  5.427842E-03
    2.2250  1.443399E-02  6.305875E-03
    2.2750  2.510278E-02  7.902299E-03
    2.3250  2.163127E-02  9.339080E-03
    2.3750  2.994347E-02  1.141443E-02
    2.4250  3.976818E-02  1.428799E-02
    2.4750  3.499620E-02  1.692209E-02
    2.5250  3.464288E-02  1.963602E-02
    2.5750  2.939173E-02  2.203065E-02
    2.6250  5.467998E-02  2.666028E-02
    2.6750  5.447072E-02  3.144955E-02
    2.7250  5.074051E-02  3.607918E-02
    2.7750  4.639776E-02  4.046935E-02
    2.8250  6.023592E-02  4.637612E-02
    2.8750  5.344343E-02  5.180396E-02
    2.9250  5.011338E-02  5.707216E-02
    2.9750  5.945288E-02  6.353768E-02
    3.0250  6.957248E-02  7.136015E-02
    3.0750  6.183221E-02  7.854406E-02
    3.1250  6.119988E-02  8.588761E-02
    3.1750  6.379855E-02  9.378991E-02
    3.2250  5.683886E-02  1.010536E-01
    3.2750  6.783582E-02  1.099936E-01
    3.3250  8.167617E-02  1.210888E-01
    3.3750  7.471157E-02  1.315453E-01
    3.4250  7.919162E-02  1.429598E-01
    3.4750  7.908103E-02  1.546935E-01
    3.5250  7.633073E-02  1.663474E-01
    3.5750  7.675203E-02  1.784004E-01
    3.6250  7.464936E-02  1.904534E-01
    3.6750  8.369508E-02  2.043423E-01
    3.7250  7.537700E-02  2.171935E-01
    3.7750  8.205486E-02  2.315613E-01
    3.8250  9.013616E-02  2.477650E-01
    3.8750  8.998828E-02  2.643678E-01
    3.9250  8.981864E-02  2.813697E-01
    3.9750  1.179978E-01  3.042784E-01
    4.0250  1.166884E-01  3.275064E-01
    4.0750  1.036710E-01  3.486590E-01
    4.1250  1.290433E-01  3.756386E-01
    4.1750  1.468420E-01  4.070881E-01
    4.2250  1.408395E-01  4.379789E-01
    4.2750  1.556930E-01  4.729406E-01
    4.3250  1.687840E-01  5.117337E-01
    4.3750  1.785242E-01  5.537197E-01
    4.4250  1.920965E-01  5.999361E-01
    4.4750  2.069675E-01  6.508621E-01
    4.5250  2.157443E-01  7.051405E-01
    4.5750  2.281250E-01  7.638091E-01
    4.6250  2.450857E-01  8.282248E-01
    4.6750  2.648393E-01  8.993455E-01
    4.7250  2.930177E-01  9.797254E-01
    4.7750  2.635500E-01  1.053560E+00
    4.8250  2.941130E-01  1.137692E+00
    4.8750  2.960380E-01  1.224138E+00
    4.9250  3.039847E-01  1.314735E+00
    4.9750  3.220526E-01  1.412676E+00
    5.0250  3.058991E-01  1.507583E+00
    5.0750  3.064593E-01  1.604566E+00
    5.1250  3.108967E-01  1.704901E+00
    5.1750  3.199579E-01  1.810185E+00
    5.2250  3.367074E-01  1.923132E+00
    5.2750  3.424948E-01  2.040230E+00
    5.3250  3.651892E-01  2.167465E+00
    5.3750  3.624742E-01  2.296137E+00
    5.4250  3.653150E-01  2.428241E+00
    5.4750  3.846796E-01  2.569923E+00
    5.5250  4.079685E-01  2.722941E+00
    5.5750  4.167778E-01  2.882104E+00
    5.6250  4.338341E-01  3.050766E+00
    5.6750  4.570855E-01  3.231641E+00
    5.7250  4.554790E-01  3.415070E+00
    5.7750  4.774289E-01  3.610712E+00
    5.8250  4.788409E-01  3.810345E+00
    5.8750  4.791948E-01  4.013570E+00
    5.9250  5.142583E-01  4.235393E+00
    5.9750  5.220646E-01  4.464400E+00
    6.0250  5.429640E-01  4.706577E+00
    6.0750  5.587068E-01  4.959930E+00
    6.1250  5.520467E-01  5.214400E+00
    6.1750  5.560911E-01  5.474936E+00
    6.2250  5.704965E-01  5.746568E+00
    6.2750  5.860238E-01  6.030093E+00
    6.3250  5.881623E-01  6.319205E+00
    6.3750  5.962361E-01  6.616938E+00
    6.4250  5.969067E-01  6.919700E+00
    6.4750  5.751728E-01  7.215996E+00
    6.5250  5.970611E-01  7.528337E+00
    6.5750  5.908700E-01  7.842193E+00
    6.6250  6.021146E-01  8.166906E+00
    6.6750  6.179146E-01  8.505188E+00
    6.7250  6.120643E-01  8.845307E+00
    6.7750  6.204718E-01  9.195243E+00
    6.8250  6.179688E-01  9.548930E+00
    6.8750  6.201459E-01  9.909084E+00
    6.9250  6.352005E-01  1.028337E+01
    6.9750  6.183816E-01  1.065302E+01
    7.0250  6.447574E-01  1.104398E+01
    7.0750  6.374935E-01  1.143606E+01
    7.1250  6.484126E-01  1.184052E+01
    7.1750  6.626261E-01  1.225966E+01
    7.2250  6.660560E-01  1.268686E+01
    7.2750  6.446576E-01  1.310608E+01
    7.3250  6.472679E-01  1.353281E+01
    7.3750  6.446126E-01  1.396360E+01
    7.4250  6.489221E-01  1.440318E+01
    7.4750  6.392236E-01  1.484203E+01
    7.5250  6.471628E-01  1.529231E+01
    7.5750  6.407987E-01  1.574409E+01
    7.6250  6.535404E-01  1.621097E+01
    7.6750  6.630293E-01  1.669085E+01
    7.7250  6.525147E-01  1.716930E+01
    7.7750  6.440418E-01  1.764767E+01
    7.8250  6.547228E-01  1.814025E+01
    7.8750  6.584819E-01  1.864200E+01
    7.9250  6.535092E-01  1.914631E+01
    7.9750  6.837463E-01  1.968064E+01
    8.0250  6.785815E-01  2.021759E+01
    8.0750  6.921224E-01  2.077211E+01
    8.1250  6.791035E-01  2.132296E+01
    8.1750  6.842364E-01  2.188482E+01
    8.2250  6.866018E-01  2.245554E+01
    8.2750  6.944577E-01  2.303983E+01
    8.3250  6.981391E-01  2.363434E+01
    8.3750  7.108526E-01  2.424697E+01
    8.4250  7.265108E-01  2.488059E+01
    8.4750  7.204058E-01  2.551636E+01
    8.5250  7.229749E-01  2.616196E+01
    8.5750  7.340934E-01  2.682519E+01
    8.6250  7.362609E-01  2.749816E+01
    8.6750  7.396246E-01  2.818207E+01
    8.7250  7.579678E-01  2.889104E+01
    8.7750  7.469924E-01  2.959778E+01
    8.8250  7.674967E-01  3.033222E+01
    8.8750  7.561515E-01  3.106402E+01
    8.9250  7.711094E-01  3.181873E+01
    8.9750  7.656063E-01  3.257647E+01
    9.0250  7.835467E-01  3.336063E+01
    9.0750  7.743842E-01  3.414424E+01
    9.1250  7.861282E-01  3.494852E+01
    9.1750  7.894679E-01  3.576509E+01
    9.2250  7.937579E-01  3.659507E+01
    9.2750  8.095394E-01  3.745075E+01
    9.3250  8.227710E-01  3.832982E+01
    9.3750  8.250315E-01  3.922079E+01
    9.4250  8.265396E-01  4.012292E+01
    9.4750  8.284041E-01  4.103672E+01
    9.5250  8.253150E-01  4.195674E+01
    9.5750  8.371253E-01  4.289974E+01
    9.6250  8.445090E-01  4.386103E+01
    9.6750  8.615508E-01  4.485193E+01
    9.7250  8.522337E-01  4.584227E+01
    9.7750  8.708010E-01  4.686462E+01
    9.8250  8.690268E-01  4.789535E+01
    9.8750  8.747051E-01  4.894341E+01
    9.9250  8.617594E-01  4.998643E+01
    9.9750  8.694643E-01  5.104941E+01
   10.0250  8.650146E-01  5.211758E+01
   10.0750  8.625302E-01  5.319333E+01
   10.1250  8.615734E-01  5.427858E+01
   10.1750  8.746494E-01  5.539120E+01
   10.2250  8.712114E-01  5.651038E+01
   10.2750  8.787517E-01  5.765030E+01
   10.3250  8.726380E-01  5.879334E+01
   10.3750  8.711879E-01  5.994556E+01
   10.4250  8.782133E-01  6.111830E+01
   10.4750  8.747635E-01  6.229765E+01
   10.5250  8.802535E-01  6.349577E+01
   10.5750  8.935592E-01  6.472358E+01
   10.6250  8.783211E-01  6.594189E+01
   10.6750  8.892672E-01  6.718702E+01
   10.7250  8.962440E-01  6.845370E+01
   10.7750  9.025497E-01  6.974122E+01
   10.8250  8.977794E-01  7.103384E+01
   10.8750  9.007487E-01  7.234275E+01
   10.9250  9.036262E-01  7.366794E+01
   10.9750  9.136412E-01  7.502011E+01
   11.0250  9.131761E-01  7.638394E+01
   11.0750  8.972165E-01  7.773611E+01
   11.1250  9.064388E-01  7.911454E+01
   11.1750  9.136918E-01  8.051652E+01
   11.2250  9.127367E-01  8.192960E+01
   11.2750  9.262756E-01  8.337644E+01
   11.3250  9.180134E-01  8.482312E+01
   11.3750  9.234163E-01  8.629119E+01
   11.4250  9.320242E-01  8.778600E+01
   11.4750  9.276199E-01  8.928680E+01
   11.5250  9.375382E-01  9.081689E+01
   11.5750  9.212617E-01  9.233349E+01
   11.6250  9.287848E-01  9.387572E+01
   11.6750  9.361455E-01  9.544357E+01
   11.7250  9.578071E-01  9.706146E+01
   11.7750  9.618722E-01  9.870011E+01
   11.8250  9.644408E-01  1.003571E+02
   11.8750  9.634308E-01  1.020264E+02
   11.9250  9.599827E-01  1.037038E+02
   11.9750  9.731390E-01  1.054184E+02
   12.0250  9.800686E-01  1.071597E+02
   12.0750  9.783849E-01  1.089125E+02
   12.1250  9.889799E-01  1.106990E+02
   12.1750  9.870530E-01  1.124967E+02
   12.2250  9.826468E-01  1.143012E+02
   12.2750  9.940596E-01  1.161415E+02
   12.3250  9.931525E-01  1.179952E+02
   12.3750  9.943486E-01  1.198662E+02
   12.4250  9.877085E-01  1.217398E+02
   12.4750  1.005396E+00  1.236623E+02
   12.5250  1.001898E+00  1.255935E+02
   12.5750  1.022294E+00  1.275797E+02
   12.6250  1.014824E+00  1.295672E+02
   12.6750  1.013263E+00  1.315674E+02
   12.7250  1.012898E+00  1.335826E+02
   12.7750  1.009204E+00  1.356063E+02
   12.8250  1.018531E+00  1.376648E+02
   12.8750  1.019375E+00  1.397410E+02
   12.9250  1.028886E+00  1.418529E+02
   12.9750  1.031005E+00  1.439856E+02
   13.0250  1.021688E+00  1.461153E+02
   13.0750  1.034181E+00  1.482876E+02
   13.1250  1.028881E+00  1.504654E+02
   13.1750  1.040922E+00  1.526854E+02
   13.2250  1.044209E+00  1.549294E+02
   13.2750  1.034367E+00  1.571691E+02
   13.3250  1.049194E+00  1.594581E+02
   13.3750  1.044124E+00  1.617531E+02
   13.4250  1.042849E+00  1.640625E+02
   13.4750  1.054015E+00  1.664140E+02
   13.5250  1.050995E+00  1.687763E+02
   13.5750  1.056734E+00  1.711690E+02
   13.6250  1.048642E+00  1.735609E+02
   13.6750  1.049499E+00  1.759724E+02
   13.7250  1.044280E+00  1.783894E+02
   13.7750  1.051435E+00  1.808408E+02
   13.8250  1.048296E+00  1.833027E+02
   13.8750  1.053240E+00  1.857941E+02
   13.9250  1.054568E+00  1.883066E+02
   13.9750  1.057014E+00  1.908431E+02

g(r)  :HC      HC      

        r      g(r)         n(r)

    1.9250  0.000000E+00  0.000000E+00
    1.9750  0.000000E+00  0.000000E+00
    2.0250  1.058803E-02  5.701514E-05
    2.0750  1.210072E-02  1.254333E-04
    2.1250  1.269180E-01  8.780332E-04
    2.1750  5.121343E-01  4.059478E-03
    2.2250  1.557586E+00  1.418537E-02
    2.2750  3.731400E+00  3.954570E-02
    2.3250  6.231239E+00  8.377805E-02
    2.3750  9.301538E+00  1.526752E-01
    2.4250  1.195055E+01  2.449599E-01
    2.4750  1.373366E+01  3.554324E-01
    2.5250  1.411315E+01  4.735906E-01
    2.5750  1.358088E+01  5.918400E-01
    2.6250  1.240180E+01  7.040572E-01
    2.6750  1.126780E+01  8.099343E-01
    2.7250  1.041957E+01  9.115353E-01
    2.7750  9.783610E+00  1.010468E+00
    2.8250  9.422951E+00  1.109218E+00
    2.8750  9.124319E+00  1.208254E+00
    2.9250  9.289043E+00  1.312614E+00
    2.9750  9.034382E+00  1.417613E+00
    3.0250  8.423138E+00  1.518826E+00
    3.0750  8.151448E+00  1.620040E+00
    3.1250  7.456088E+00  1.715654E+00
    3.1750  6.685572E+00  1.804153E+00
    3.2250  6.049890E+00  1.886779E+00
    3.2750  5.288499E+00  1.961264E+00
    3.3250  5.073306E+00  2.034916E+00
    3.3750  5.703237E+00  2.120222E+00
    3.4250  7.960092E+00  2.242839E+00
    3.4750  1.163030E+01  2.427260E+00
    3.5250  1.563356E+01  2.682346E+00
    3.5750  1.849941E+01  2.992816E+00
    3.6250  1.864287E+01  3.314507E+00
    3.6750  1.631299E+01  3.603813E+00
    3.7250  1.276761E+01  3.836446E+00
    3.7750  9.665128E+00  4.017310E+00
    3.8250  7.421594E+00  4.159893E+00
    3.8750  6.277080E+00  4.283662E+00
    3.9250  5.956963E+00  4.404169E+00
    3.9750  6.098229E+00  4.530697E+00
    4.0250  7.132265E+00  4.682426E+00
    4.0750  9.114944E+00  4.881180E+00
    4.1250  1.069531E+01  5.120154E+00
    4.1750  1.048501E+01  5.360142E+00
    4.2250  8.899052E+00  5.568737E+00
    4.2750  7.684767E+00  5.753159E+00
    4.3250  7.164113E+00  5.929130E+00
    4.3750  7.176877E+00  6.109515E+00
    4.4250  7.328711E+00  6.297950E+00
    4.4750  7.569140E+00  6.496990E+00
    4.5250  7.695426E+00  6.703898E+00
    4.5750  7.705713E+00  6.915686E+00
    4.6250  7.670726E+00  7.131146E+00
    4.6750  7.790424E+00  7.354725E+00
    4.7250  7.638868E+00  7.578669E+00
    4.7750  7.669780E+00  7.808304E+00
    4.8250  7.640707E+00  8.041883E+00
    4.8750  7.706575E+00  8.282385E+00
    4.9250  7.759973E+00  8.529545E+00
    4.9750  7.847219E+00  8.784585E+00
    5.0250  7.876512E+00  9.045749E+00
    5.0750  7.934152E+00  9.314085E+00
    5.1250  7.948711E+00  9.588237E+00
    5.1750  7.906104E+00  9.866265E+00
    5.2250  7.889748E+00  1.014911E+01
    5.2750  7.907229E+00  1.043802E+01
    5.3250  7.876422E+00  1.073130E+01
    5.3750  7.877549E+00  1.103015E+01
    5.4250  7.877297E+00  1.133458E+01
    5.4750  7.822145E+00  1.164247E+01
    5.5250  7.781915E+00  1.195440E+01
    5.5750  7.835741E+00  1.227420E+01
    5.6250  7.843618E+00  1.260008E+01
    5.6750  7.851619E+00  1.293213E+01
    5.7250  7.961476E+00  1.327478E+01
    5.7750  7.868738E+00  1.361938E+01
    5.8250  7.879601E+00  1.397045E+01
    5.8750  7.871849E+00  1.432723E+01
    5.9250  7.872387E+00  1.469013E+01
    5.9750  7.781562E+00  1.505493E+01
    6.0250  7.793606E+00  1.542643E+01
    6.0750  7.791260E+00  1.580400E+01
    6.1250  7.820358E+00  1.618926E+01
    6.1750  7.864348E+00  1.658303E+01
    6.2250  7.947156E+00  1.698741E+01
    6.2750  8.043758E+00  1.740331E+01
    6.3250  8.118092E+00  1.782978E+01
    6.3750  8.210480E+00  1.826794E+01
    6.4250  8.230863E+00  1.871410E+01
    6.4750  8.274288E+00  1.916963E+01
    6.5250  8.137767E+00  1.962459E+01
    6.5750  8.059667E+00  2.008211E+01
    6.6250  8.072616E+00  2.054737E+01
    6.6750  7.922701E+00  2.101090E+01
    6.7250  7.778256E+00  2.147283E+01
    6.7750  7.632467E+00  2.193286E+01
    6.8250  7.402291E+00  2.238563E+01
    6.8750  7.377323E+00  2.284350E+01
    6.9250  7.196389E+00  2.329667E+01
    6.9750  7.095906E+00  2.374999E+01
    7.0250  7.071449E+00  2.420824E+01
    7.0750  6.947217E+00  2.466488E+01
    7.1250  6.892136E+00  2.512432E+01
    7.1750  6.762677E+00  2.558147E+01
    7.2250  6.670065E+00  2.603868E+01
    7.2750  6.552772E+00  2.649408E+01
    7.3250  6.490971E+00  2.695141E+01
    7.3750  6.505917E+00  2.741607E+01
    7.4250  6.427569E+00  2.788139E+01
    7.4750  6.368135E+00  2.834862E+01
    7.5250  6.317375E+00  2.881836E+01
    7.5750  6.264823E+00  2.929040E+01
    7.6250  6.199062E+00  2.976367E+01
    7.6750  6.158065E+00  3.024000E+01
    7.7250  6.038007E+00  3.071315E+01
    7.7750  5.949393E+00  3.118540E+01
    7.8250  5.945085E+00  3.166341E+01
    7.8750  5.834544E+00  3.213854E+01
    7.9250  5.737649E+00  3.261173E+01
    7.9750  5.655416E+00  3.308404E+01
    8.0250  5.572488E+00  3.355528E+01
    8.0750  5.462408E+00  3.402299E+01
    8.1250  5.363815E+00  3.448796E+01
    8.1750  5.350899E+00  3.495754E+01
    8.2250  5.273332E+00  3.542598E+01
    8.2750  5.150448E+00  3.588909E+01
    8.3250  5.183493E+00  3.636083E+01
    8.3750  5.078577E+00  3.682858E+01
    8.4250  4.960486E+00  3.729093E+01
    8.4750  4.933804E+00  3.775626E+01
    8.5250  4.804645E+00  3.821478E+01
    8.5750  4.703192E+00  3.866889E+01
    8.6250  4.640182E+00  3.912216E+01
    8.6750  4.576577E+00  3.957442E+01
    8.7250  4.538989E+00  4.002814E+01
    8.7750  4.483012E+00  4.048142E+01
    8.8250  4.420538E+00  4.093350E+01
    8.8750  4.377044E+00  4.138621E+01
    8.9250  4.354303E+00  4.184166E+01
    8.9750  4.291153E+00  4.229554E+01
    9.0250  4.227532E+00  4.274770E+01
    9.0750  4.202797E+00  4.320220E+01
    9.1250  4.148209E+00  4.365575E+01
    9.1750  4.085893E+00  4.410741E+01
    9.2250  4.052130E+00  4.456022E+01
    9.2750  3.979285E+00  4.500973E+01
    9.3250  3.913457E+00  4.545658E+01
    9.3750  3.851669E+00  4.590110E+01
    9.4250  3.831636E+00  4.634804E+01
    9.4750  3.733653E+00  4.678819E+01
    9.5250  3.702693E+00  4.722930E+01
    9.5750  3.652284E+00  4.766899E+01
    9.6250  3.624373E+00  4.810989E+01
    9.6750  3.572351E+00  4.854899E+01
    9.7250  3.523591E+00  4.898658E+01
    9.7750  3.463007E+00  4.942108E+01
    9.8250  3.417145E+00  4.985422E+01
    9.8750  3.361879E+00  5.028471E+01
    9.9250  3.318571E+00  5.071397E+01
    9.9750  3.274302E+00  5.114177E+01
   10.0250  3.199469E+00  5.156401E+01
   10.0750  3.170957E+00  5.198666E+01
   10.1250  3.126501E+00  5.240753E+01
   10.1750  3.078571E+00  5.282606E+01
   10.2250  3.009498E+00  5.323922E+01
   10.2750  2.929119E+00  5.364530E+01
   10.3250  2.909290E+00  5.405256E+01
   10.3750  2.895676E+00  5.446185E+01
   10.4250  2.797652E+00  5.486110E+01
   10.4750  2.768554E+00  5.526000E+01
   10.5250  2.730318E+00  5.565716E+01
   10.5750  2.679246E+00  5.605060E+01
   10.6250  2.593243E+00  5.643501E+01
   10.6750  2.587982E+00  5.682227E+01
   10.7250  2.530086E+00  5.720442E+01
   10.7750  2.483547E+00  5.758305E+01
   10.8250  2.446799E+00  5.795954E+01
   10.8750  2.396816E+00  5.833176E+01
   10.9250  2.384241E+00  5.870544E+01
   10.9750  2.330700E+00  5.907407E+01
   11.0250  2.272314E+00  5.943676E+01
   11.0750  2.258994E+00  5.980060E+01
   11.1250  2.222035E+00  6.016172E+01
   11.1750  2.167705E+00  6.051718E+01
   11.2250  2.125004E+00  6.086877E+01
   11.2750  2.080309E+00  6.121604E+01
   11.3250  2.063334E+00  6.156354E+01
   11.3750  2.026980E+00  6.190793E+01
   11.4250  1.962109E+00  6.224424E+01
   11.4750  1.930670E+00  6.257807E+01
   11.5250  1.892707E+00  6.290818E+01
   11.5750  1.865761E+00  6.323643E+01
   11.6250  1.808749E+00  6.355740E+01
   11.6750  1.781694E+00  6.387630E+01
   11.7250  1.718082E+00  6.418645E+01
   11.7750  1.724754E+00  6.450047E+01
   11.8250  1.695667E+00  6.481182E+01
   11.8750  1.635786E+00  6.511471E+01
   11.9250  1.634799E+00  6.541998E+01
   11.9750  1.592957E+00  6.571994E+01
   12.0250  1.580878E+00  6.602011E+01
   12.0750  1.539225E+00  6.631481E+01
   12.1250  1.531696E+00  6.661051E+01
   12.1750  1.489380E+00  6.690041E+01
   12.2250  1.480360E+00  6.719092E+01
   12.2750  1.453340E+00  6.747847E+01
   12.3250  1.408186E+00  6.775936E+01
   12.3750  1.393258E+00  6.803953E+01
   12.4250  1.386567E+00  6.832062E+01
   12.4750  1.341381E+00  6.859474E+01
   12.5250  1.327371E+00  6.886817E+01
   12.5750  1.294101E+00  6.913688E+01
   12.6250  1.272321E+00  6.940318E+01
   12.6750  1.253168E+00  6.966754E+01
   12.7250  1.230897E+00  6.992927E+01
   12.7750  1.207978E+00  7.018814E+01
   12.8250  1.196835E+00  7.044663E+01
   12.8750  1.160735E+00  7.069929E+01
   12.9250  1.133059E+00  7.094784E+01
   12.9750  1.113717E+00  7.119405E+01
   13.0250  1.091720E+00  7.143725E+01
   13.0750  1.050725E+00  7.167312E+01
   13.1250  1.034114E+00  7.190704E+01
   13.1750  1.008220E+00  7.213685E+01
   13.2250  9.852686E-01  7.236313E+01
   13.2750  9.747561E-01  7.258869E+01
   13.3250  9.535157E-01  7.281101E+01
   13.3750  9.263031E-01  7.302860E+01
   13.4250  9.100687E-01  7.324398E+01
   13.4750  8.882625E-01  7.345577E+01
   13.5250  8.697914E-01  7.366469E+01
   13.5750  8.393159E-01  7.386779E+01
   13.6250  8.295651E-01  7.407001E+01
   13.6750  8.068391E-01  7.426814E+01
   13.7250  7.767692E-01  7.446028E+01
   13.7750  7.608434E-01  7.464986E+01
   13.8250  7.256357E-01  7.483198E+01
   13.8750  7.040412E-01  7.500995E+01
   13.9250  6.837677E-01  7.518406E+01
   13.9750  6.660779E-01  7.535487E+01

g(r)  :HC      N       

        r      g(r)         n(r)

    2.1250  0.000000E+00  0.000000E+00
    2.1750  0.000000E+00  0.000000E+00
    2.2250  4.911306E-02  2.280606E-05
    2.2750  2.936129E-01  1.653439E-04
    2.3250  1.169462E+00  7.583014E-04
    2.3750  3.276013E+00  2.491562E-03
    2.4250  7.721418E+00  6.750593E-03
    2.4750  1.363443E+01  1.458447E-02
    2.5250  1.951624E+01  2.625547E-02
    2.5750  2.539376E+01  4.204867E-02
    2.6250  2.837002E+01  6.038474E-02
    2.6750  2.918826E+01  7.997514E-02
    2.7250  2.746393E+01  9.910372E-02
    2.7750  2.566224E+01  1.176393E-01
    2.8250  2.261399E+01  1.345671E-01
    2.8750  2.151805E+01  1.512498E-01
    2.9250  1.822386E+01  1.658742E-01
    2.9750  1.723872E+01  1.801850E-01
    3.0250  1.587642E+01  1.938116E-01
    3.0750  1.628361E+01  2.082535E-01
    3.1250  1.621488E+01  2.231060E-01
    3.1750  1.695642E+01  2.391386E-01
    3.2250  1.665097E+01  2.553822E-01
    3.2750  1.712690E+01  2.726122E-01
    3.3250  1.598339E+01  2.891865E-01
    3.3750  1.598828E+01  3.062682E-01
    3.4250  1.571143E+01  3.235552E-01
    3.4750  1.412492E+01  3.395537E-01
    3.5250  1.357051E+01  3.553697E-01
    3.5750  1.272272E+01  3.706212E-01
    3.6250  1.304030E+01  3.866938E-01
    3.6750  1.460074E+01  4.051895E-01
    3.7250  1.776426E+01  4.283092E-01
    3.7750  2.195479E+01  4.576549E-01
    3.8250  2.479563E+01  4.916815E-01
    3.8750  2.590871E+01  5.281712E-01
    3.9250  2.535148E+01  5.648034E-01
    3.9750  2.408295E+01  6.004949E-01
    4.0250  2.302308E+01  6.354794E-01
    4.0750  2.026519E+01  6.670430E-01
    4.1250  1.830149E+01  6.962518E-01
    4.1750  1.626506E+01  7.228437E-01
    4.2250  1.343395E+01  7.453362E-01
    4.2750  1.227339E+01  7.663747E-01
    4.3250  1.177028E+01  7.870256E-01
    4.3750  1.223004E+01  8.089822E-01
    4.4250  1.331497E+01  8.334360E-01
    4.4750  1.551728E+01  8.625821E-01
    4.5250  1.598969E+01  8.932905E-01
    4.5750  1.517743E+01  9.230866E-01
    4.6250  1.292717E+01  9.490228E-01
    4.6750  1.191787E+01  9.734537E-01
    4.7250  1.186030E+01  9.982895E-01
    4.7750  1.249567E+01  1.025013E+00
    4.8250  1.309969E+01  1.053617E+00
    4.8750  1.321858E+01  1.083082E+00
    4.9250  1.373095E+01  1.114321E+00
    4.9750  1.417594E+01  1.147230E+00
    5.0250  1.381098E+01  1.179940E+00
    5.0750  1.296431E+01  1.211258E+00
    5.1250  1.235386E+01  1.241693E+00
    5.1750  1.176447E+01  1.271244E+00
    5.2250  1.123980E+01  1.300025E+00
    5.2750  1.151053E+01  1.330066E+00
    5.3250  1.138328E+01  1.360341E+00
    5.3750  1.128610E+01  1.390924E+00
    5.4250  1.092205E+01  1.421074E+00
    5.4750  1.082487E+01  1.451509E+00
    5.5250  1.065373E+01  1.482012E+00
    5.5750  1.102871E+01  1.514163E+00
    5.6250  1.081815E+01  1.546268E+00
    5.6750  1.096433E+01  1.579388E+00
    5.7250  1.093130E+01  1.612993E+00
    5.7750  1.075924E+01  1.646649E+00
    5.8250  1.081718E+01  1.681074E+00
    5.8750  1.075536E+01  1.715894E+00
    5.9250  1.069581E+01  1.751112E+00
    5.9750  1.058736E+01  1.786564E+00
    6.0250  1.015783E+01  1.821149E+00
    6.0750  1.001438E+01  1.855814E+00
    6.1250  9.564748E+00  1.889470E+00
    6.1750  9.341931E+00  1.922881E+00
    6.2250  9.231680E+00  1.956435E+00
    6.2750  9.015679E+00  1.989732E+00
    6.3250  8.750625E+00  2.022567E+00
    6.3750  8.652789E+00  2.055550E+00
    6.4250  8.280088E+00  2.087609E+00
    6.4750  8.496328E+00  2.121020E+00
    6.5250  8.559361E+00  2.155201E+00
    6.5750  8.834639E+00  2.191024E+00
    6.6250  9.000944E+00  2.228078E+00
    6.6750  9.322281E+00  2.267036E+00
    6.7250  9.337402E+00  2.306645E+00
    6.7750  9.557658E+00  2.347792E+00
    6.8250  9.686961E+00  2.390115E+00
    6.8750  9.712477E+00  2.433173E+00
    6.9250  9.593013E+00  2.476322E+00
    6.9750  9.429733E+00  2.519351E+00
    7.0250  9.313225E+00  2.562460E+00
    7.0750  9.218487E+00  2.605740E+00
    7.1250  9.059624E+00  2.648878E+00
    7.1750  9.084938E+00  2.692745E+00
    7.2250  8.665013E+00  2.735170E+00
    7.2750  8.446392E+00  2.777099E+00
    7.3250  8.330344E+00  2.819023E+00
    7.3750  8.092602E+00  2.860307E+00
    7.4250  7.879230E+00  2.901050E+00
    7.4750  7.765472E+00  2.941748E+00
    7.5250  7.612165E+00  2.982177E+00
    7.5750  7.295895E+00  3.021443E+00
    7.6250  7.251756E+00  3.060989E+00
    7.6750  7.205048E+00  3.100797E+00
    7.7250  7.101895E+00  3.140548E+00
    7.7750  6.765486E+00  3.178908E+00
    7.8250  6.487700E+00  3.216167E+00
    7.8750  6.298737E+00  3.252805E+00
    7.9250  6.136272E+00  3.288953E+00
    7.9750  5.863637E+00  3.323932E+00
    8.0250  5.733220E+00  3.358563E+00
    8.0750  5.605574E+00  3.392846E+00
    8.1250  5.528508E+00  3.427078E+00
    8.1750  5.486556E+00  3.461469E+00
    8.2250  5.344575E+00  3.495382E+00
    8.2750  5.335222E+00  3.529648E+00
    8.3250  5.158183E+00  3.563178E+00
    8.3750  5.110643E+00  3.596800E+00
    8.4250  5.129807E+00  3.630952E+00
    8.4750  5.015293E+00  3.664740E+00
    8.5250  4.844555E+00  3.697763E+00
    8.5750  4.593950E+00  3.729446E+00
    8.6250  4.521230E+00  3.760993E+00
    8.6750  4.436145E+00  3.792305E+00
    8.7250  4.348715E+00  3.823356E+00
    8.7750  4.365611E+00  3.854885E+00
    8.8250  4.127396E+00  3.885035E+00
    8.8750  4.033945E+00  3.914836E+00
    8.9250  4.007952E+00  3.944781E+00
    8.9750  3.964929E+00  3.974737E+00
    9.0250  3.898728E+00  4.004521E+00
    9.0750  3.834480E+00  4.034141E+00
    9.1250  3.671387E+00  4.062814E+00
    9.1750  3.637258E+00  4.091532E+00
    9.2250  3.601508E+00  4.120279E+00
    9.2750  3.562782E+00  4.149026E+00
    9.3250  3.362495E+00  4.176450E+00
    9.3750  3.468508E+00  4.205044E+00
    9.4250  3.381166E+00  4.233215E+00
    9.4750  3.430213E+00  4.262099E+00
    9.5250  3.342034E+00  4.290538E+00
    9.5750  3.249537E+00  4.318481E+00
    9.6250  3.307726E+00  4.347222E+00
    9.6750  3.241156E+00  4.375678E+00
    9.7250  3.204700E+00  4.404106E+00
    9.7750  3.133193E+00  4.432186E+00
    9.8250  3.128462E+00  4.460511E+00
    9.8750  3.064447E+00  4.488540E+00
    9.9250  3.077462E+00  4.516973E+00
    9.9750  3.000869E+00  4.544979E+00
   10.0250  2.883307E+00  4.572158E+00
   10.0750  2.869731E+00  4.599480E+00
   10.1250  2.777418E+00  4.626186E+00
   10.1750  2.690887E+00  4.652316E+00
   10.2250  2.685566E+00  4.678651E+00
   10.2750  2.672160E+00  4.705112E+00
   10.3250  2.625244E+00  4.731362E+00
   10.3750  2.523199E+00  4.756836E+00
   10.4250  2.505765E+00  4.782379E+00
   10.4750  2.527883E+00  4.808395E+00
   10.5250  2.517092E+00  4.834548E+00
   10.5750  2.460188E+00  4.860353E+00
   10.6250  2.417165E+00  4.885947E+00
   10.6750  2.407910E+00  4.911684E+00
   10.7250  2.381812E+00  4.937380E+00
   10.7750  2.319443E+00  4.962638E+00
   10.8250  2.289247E+00  4.987799E+00
   10.8750  2.177268E+00  5.011950E+00
   10.9250  2.137522E+00  5.035880E+00
   10.9750  2.036334E+00  5.058885E+00
   11.0250  1.956394E+00  5.081190E+00
   11.0750  1.929848E+00  5.103391E+00
   11.1250  1.921872E+00  5.125701E+00
   11.1750  1.883781E+00  5.147766E+00
   11.2250  1.881510E+00  5.170002E+00
   11.2750  1.849558E+00  5.192056E+00
   11.3250  1.783971E+00  5.213516E+00
   11.3750  1.699732E+00  5.234144E+00
   11.4250  1.743099E+00  5.255485E+00
   11.4750  1.646692E+00  5.275822E+00
   11.5250  1.582094E+00  5.295532E+00
   11.5750  1.533066E+00  5.314798E+00
   11.6250  1.496067E+00  5.333761E+00
   11.6750  1.441805E+00  5.352194E+00
   11.7250  1.356134E+00  5.369680E+00
   11.7750  1.366563E+00  5.387452E+00
   11.8250  1.288518E+00  5.404351E+00
   11.8750  1.196649E+00  5.420179E+00
   11.9250  1.198177E+00  5.436160E+00
   11.9750  1.134781E+00  5.451423E+00
   12.0250  1.058103E+00  5.465774E+00
   12.0750  1.044772E+00  5.480062E+00
   12.1250  1.018807E+00  5.494110E+00
   12.1750  9.362303E-01  5.507127E+00
   12.2250  9.220798E-01  5.520052E+00
   12.2750  8.617335E-01  5.532231E+00
   12.3250  8.211419E-01  5.543930E+00
   12.3750  7.621239E-01  5.554877E+00
   12.4250  7.075710E-01  5.565123E+00
   12.4750  6.847240E-01  5.575117E+00
   12.5250  6.827555E-01  5.585164E+00
   12.5750  6.661888E-01  5.595044E+00
   12.6250  6.315567E-01  5.604486E+00
   12.6750  6.205299E-01  5.613836E+00
   12.7250  5.897601E-01  5.622794E+00
   12.7750  5.672740E-01  5.631477E+00
   12.8250  5.148150E-01  5.639419E+00
   12.8750  5.324599E-01  5.647698E+00
   12.9250  4.915968E-01  5.655400E+00
   12.9750  4.350980E-01  5.662271E+00
   13.0250  4.450214E-01  5.669352E+00
   13.0750  3.996665E-01  5.675761E+00
   13.1250  3.775722E-01  5.681861E+00
   13.1750  3.484469E-01  5.687534E+00
   13.2250  3.253114E-01  5.692871E+00
   13.2750  3.138970E-01  5.698059E+00
   13.3250  3.183929E-01  5.703362E+00
   13.3750  2.864540E-01  5.708168E+00
   13.4250  2.819633E-01  5.712934E+00
   13.4750  2.792051E-01  5.717690E+00
   13.5250  2.462399E-01  5.721914E+00
   13.5750  2.276063E-01  5.725848E+00
   13.6250  1.994156E-01  5.729321E+00
   13.6750  1.924340E-01  5.732696E+00
   13.7250  1.916799E-01  5.736083E+00
   13.7750  1.742732E-01  5.739184E+00
   13.8250  1.695164E-01  5.742223E+00
   13.8750  1.660866E-01  5.745222E+00
   13.9250  1.501620E-01  5.747953E+00
   13.9750  1.428644E-01  5.750570E+00

g(r)  :HC      OS      

        r      g(r)         n(r)

    2.0250  0.000000E+00  0.000000E+00
    2.0750  0.000000E+00  0.000000E+00
    2.1250  6.730502E-02  2.850757E-05
    2.1750  1.798895E-01  1.083288E-04
    2.2250  1.129600E+00  6.328681E-04
    2.2750  2.619027E+00  1.904306E-03
    2.3250  5.588678E+00  4.737958E-03
    2.3750  8.933602E+00  9.464514E-03
    2.4250  1.262095E+01  1.642606E-02
    2.4750  1.600606E+01  2.562261E-02
    2.5250  1.879165E+01  3.686029E-02
    2.5750  1.756478E+01  4.778439E-02
    2.6250  1.659329E+01  5.850894E-02
    2.6750  1.554555E+01  6.894271E-02
    2.7250  1.322853E+01  7.815636E-02
    2.7750  1.195098E+01  8.678845E-02
    2.8250  1.060245E+01  9.472496E-02
    2.8750  9.913308E+00  1.024106E-01
    2.9250  8.753137E+00  1.094349E-01
    2.9750  8.949022E+00  1.168639E-01
    3.0250  9.299995E+00  1.248461E-01
    3.0750  9.642880E+00  1.333983E-01
    3.1250  1.043230E+01  1.429541E-01
    3.1750  1.097464E+01  1.533308E-01
    3.2250  1.094090E+01  1.640041E-01
    3.2750  1.088709E+01  1.749567E-01
    3.3250  1.150232E+01  1.868842E-01
    3.3750  1.089722E+01  1.985267E-01
    3.4250  1.135866E+01  2.110244E-01
    3.4750  1.060124E+01  2.230318E-01
    3.5250  1.040536E+01  2.351590E-01
    3.5750  1.092965E+01  2.482610E-01
    3.6250  1.270724E+01  2.639231E-01
    3.6750  1.482578E+01  2.827039E-01
    3.7250  1.674353E+01  3.044951E-01
    3.7750  1.812432E+01  3.287208E-01
    3.8250  1.827680E+01  3.538018E-01
    3.8750  1.808347E+01  3.792704E-01
    3.9250  1.780325E+01  4.049957E-01
    3.9750  1.774675E+01  4.312968E-01
    4.0250  1.717350E+01  4.573926E-01
    4.0750  1.554665E+01  4.816069E-01
    4.1250  1.378953E+01  5.036148E-01
    4.1750  1.270446E+01  5.243854E-01
    4.2250  1.139417E+01  5.434626E-01
    4.2750  1.107266E+01  5.624430E-01
    4.3250  1.138682E+01  5.824211E-01
    4.3750  1.227133E+01  6.044517E-01
    4.4250  1.347951E+01  6.292077E-01
    4.4750  1.552335E+01  6.583653E-01
    4.5250  1.707922E+01  6.911661E-01
    4.5750  1.770700E+01  7.259282E-01
    4.6250  1.821853E+01  7.624806E-01
    4.6750  1.874875E+01  8.009145E-01
    4.7250  1.871890E+01  8.401124E-01
    4.7750  1.850223E+01  8.796809E-01
    4.8250  1.799542E+01  9.189758E-01
    4.8750  1.701432E+01  9.569023E-01
    4.9250  1.713423E+01  9.958835E-01
    4.9750  1.722381E+01  1.035868E+00
    5.0250  1.656258E+01  1.075095E+00
    5.0750  1.579649E+01  1.113255E+00
    5.1250  1.533471E+01  1.151033E+00
    5.1750  1.434072E+01  1.187055E+00
    5.2250  1.366233E+01  1.222040E+00
    5.2750  1.267054E+01  1.255109E+00
    5.3250  1.185919E+01  1.286649E+00
    5.3750  1.157015E+01  1.318002E+00
    5.4250  1.110381E+01  1.348653E+00
    5.4750  1.118583E+01  1.380103E+00
    5.5250  1.109780E+01  1.411877E+00
    5.5750  1.089376E+01  1.443635E+00
    5.6250  1.151938E+01  1.477821E+00
    5.6750  1.184767E+01  1.513610E+00
    5.7250  1.213682E+01  1.550920E+00
    5.7750  1.226841E+01  1.589297E+00
    5.8250  1.170935E+01  1.626562E+00
    5.8750  1.071133E+01  1.661239E+00
    5.9250  1.029409E+01  1.695134E+00
    5.9750  1.034898E+01  1.729788E+00
    6.0250  9.966936E+00  1.763724E+00
    6.0750  9.386830E+00  1.796216E+00
    6.1250  9.064069E+00  1.828111E+00
    6.1750  8.540055E+00  1.858654E+00
    6.2250  8.492832E+00  1.889522E+00
    6.2750  8.148074E+00  1.919614E+00
    6.3250  8.031916E+00  1.949753E+00
    6.3750  7.939326E+00  1.980016E+00
    6.4250  8.001778E+00  2.010998E+00
    6.4750  8.258546E+00  2.043474E+00
    6.5250  8.260962E+00  2.076463E+00
    6.5750  8.424052E+00  2.110621E+00
    6.6250  8.255828E+00  2.144608E+00
    6.6750  8.045293E+00  2.178229E+00
    6.7250  8.110247E+00  2.212632E+00
    6.7750  8.039981E+00  2.247246E+00
    6.8250  7.978725E+00  2.282105E+00
    6.8750  7.706192E+00  2.316269E+00
    6.9250  7.809534E+00  2.351396E+00
    6.9750  7.536789E+00  2.385787E+00
    7.0250  7.428655E+00  2.420173E+00
    7.0750  7.334957E+00  2.454610E+00
    7.1250  7.396417E+00  2.489828E+00
    7.1750  7.226387E+00  2.524722E+00
    7.2250  7.232683E+00  2.560134E+00
    7.2750  7.302443E+00  2.596384E+00
    7.3250  7.250674E+00  2.632874E+00
    7.3750  7.137047E+00  2.669284E+00
    7.4250  7.303669E+00  2.707050E+00
    7.4750  7.267211E+00  2.745137E+00
    7.5250  7.159150E+00  2.783160E+00
    7.5750  7.250342E+00  2.822181E+00
    7.6250  7.179615E+00  2.861333E+00
    7.6750  7.233942E+00  2.901301E+00
    7.7250  7.000031E+00  2.940482E+00
    7.7750  6.861016E+00  2.979383E+00
    7.8250  6.619737E+00  3.017401E+00
    7.8750  6.639845E+00  3.056023E+00
    7.9250  6.505029E+00  3.094343E+00
    7.9750  6.401735E+00  3.132532E+00
    8.0250  6.319379E+00  3.170703E+00
    8.0750  5.971013E+00  3.207222E+00
    8.1250  6.132555E+00  3.245194E+00
    8.1750  5.872215E+00  3.282003E+00
    8.2250  5.612342E+00  3.317614E+00
    8.2750  5.673445E+00  3.354053E+00
    8.3250  5.435344E+00  3.389385E+00
    8.3750  5.337706E+00  3.424501E+00
    8.4250  5.064721E+00  3.458219E+00
    8.4750  5.186250E+00  3.493158E+00
    8.5250  4.992601E+00  3.527191E+00
    8.5750  4.860146E+00  3.560710E+00
    8.6250  4.946959E+00  3.595227E+00
    8.6750  4.852134E+00  3.629476E+00
    8.7250  4.565911E+00  3.662077E+00
    8.7750  4.533762E+00  3.694821E+00
    8.8250  4.348284E+00  3.726584E+00
    8.8750  4.249264E+00  3.757976E+00
    8.9250  4.069002E+00  3.788377E+00
    8.9750  4.077371E+00  3.819182E+00
    9.0250  3.944253E+00  3.849315E+00
    9.0750  3.923054E+00  3.879618E+00
    9.1250  3.769943E+00  3.909061E+00
    9.1750  3.726799E+00  3.938486E+00
    9.2250  3.660081E+00  3.967701E+00
    9.2750  3.475868E+00  3.995747E+00
    9.3250  3.508600E+00  4.024363E+00
    9.3750  3.437385E+00  4.052699E+00
    9.4250  3.377060E+00  4.080836E+00
    9.4750  3.390941E+00  4.109389E+00
    9.5250  3.420425E+00  4.138495E+00
    9.5750  3.395405E+00  4.167693E+00
    9.6250  3.347096E+00  4.196776E+00
    9.6750  3.343762E+00  4.226133E+00
    9.7250  3.359601E+00  4.255935E+00
    9.7750  3.317685E+00  4.285669E+00
    9.8250  3.172542E+00  4.314393E+00
    9.8750  3.167301E+00  4.343362E+00
    9.9250  3.171878E+00  4.372668E+00
    9.9750  3.140771E+00  4.401980E+00
   10.0250  3.099237E+00  4.431194E+00
   10.0750  3.034417E+00  4.460084E+00
   10.1250  2.967758E+00  4.488620E+00
   10.1750  2.929268E+00  4.517065E+00
   10.2250  2.880922E+00  4.545316E+00
   10.2750  2.767738E+00  4.572723E+00
   10.3250  2.701652E+00  4.599737E+00
   10.3750  2.705605E+00  4.627053E+00
   10.4250  2.676359E+00  4.654334E+00
   10.4750  2.618738E+00  4.681285E+00
   10.5250  2.624646E+00  4.708556E+00
   10.5750  2.479757E+00  4.734566E+00
   10.6250  2.500627E+00  4.761044E+00
   10.6750  2.462320E+00  4.787362E+00
   10.7250  2.341120E+00  4.812620E+00
   10.7750  2.364994E+00  4.838373E+00
   10.8250  2.200022E+00  4.862554E+00
   10.8750  2.170073E+00  4.886625E+00
   10.9250  2.092704E+00  4.910053E+00
   10.9750  1.994951E+00  4.932591E+00
   11.0250  1.914385E+00  4.954416E+00
   11.0750  1.953636E+00  4.976892E+00
   11.1250  1.845252E+00  4.998312E+00
   11.1750  1.816608E+00  5.019590E+00
   11.2250  1.766207E+00  5.040464E+00
   11.2750  1.714714E+00  5.060909E+00
   11.3250  1.673539E+00  5.081041E+00
   11.3750  1.643356E+00  5.100985E+00
   11.4250  1.579640E+00  5.120325E+00
   11.4750  1.535435E+00  5.139288E+00
   11.5250  1.468139E+00  5.157578E+00
   11.5750  1.538510E+00  5.176912E+00
   11.6250  1.442539E+00  5.195197E+00
   11.6750  1.403452E+00  5.213140E+00
   11.7250  1.358787E+00  5.230660E+00
   11.7750  1.286770E+00  5.247394E+00
   11.8250  1.278954E+00  5.264168E+00
   11.8750  1.196649E+00  5.279996E+00
   11.9250  1.206726E+00  5.296091E+00
   11.9750  1.146650E+00  5.311514E+00
   12.0250  1.148064E+00  5.327084E+00
   12.0750  1.129821E+00  5.342536E+00
   12.1250  1.062222E+00  5.357183E+00
   12.1750  1.052695E+00  5.371819E+00
   12.2250  9.603134E-01  5.385280E+00
   12.2750  9.726777E-01  5.399026E+00
   12.3250  9.359898E-01  5.412362E+00
   12.3750  9.157394E-01  5.425515E+00
   12.4250  8.489277E-01  5.437808E+00
   12.4750  8.417457E-01  5.450095E+00
   12.5250  8.265139E-01  5.462256E+00
   12.5750  7.838194E-01  5.473881E+00
   12.6250  7.371975E-01  5.484902E+00
   12.6750  7.204200E-01  5.495758E+00
   12.7250  6.622131E-01  5.505816E+00
   12.7750  6.440031E-01  5.515673E+00
   12.8250  6.367740E-01  5.525497E+00
   12.8750  5.867327E-01  5.534620E+00
   12.9250  5.407201E-01  5.543092E+00
   12.9750  5.185069E-01  5.551279E+00
   13.0250  4.769111E-01  5.558868E+00
   13.0750  4.679369E-01  5.566371E+00
   13.1250  4.746117E-01  5.574040E+00
   13.1750  4.349458E-01  5.581121E+00
   13.2250  4.003833E-01  5.587689E+00
   13.2750  3.970280E-01  5.594252E+00
   13.3250  3.827562E-01  5.600626E+00
   13.3750  3.754823E-01  5.606926E+00
   13.4250  3.487440E-01  5.612822E+00
   13.4750  3.294218E-01  5.618432E+00
   13.5250  3.160245E-01  5.623854E+00
   13.5750  2.826936E-01  5.628740E+00
   13.6250  2.737462E-01  5.633507E+00
   13.6750  2.486690E-01  5.637868E+00
   13.7250  2.494420E-01  5.642276E+00
   13.7750  2.604487E-01  5.646911E+00
   13.8250  2.464826E-01  5.651330E+00
   13.8750  2.245011E-01  5.655383E+00
   13.9250  2.112926E-01  5.659226E+00
   13.9750  2.234785E-01  5.663320E+00

g(r)  :HC      Oe      

        r      g(r)         n(r)

    1.9750  0.000000E+00  0.000000E+00
    2.0250  0.000000E+00  0.000000E+00
    2.0750  1.411751E-02  5.701514E-06
    2.1250  2.019150E-01  9.122423E-05
    2.1750  5.268191E-01  3.249863E-04
    2.2250  2.332870E+00  1.408274E-03
    2.2750  4.850484E+00  3.762999E-03
    2.3250  9.816732E+00  8.740421E-03
    2.3750  1.642317E+01  1.742953E-02
    2.4250  2.229598E+01  2.972770E-02
    2.4750  2.723908E+01  4.537835E-02
    2.5250  3.071878E+01  6.374863E-02
    2.5750  3.204931E+01  8.368113E-02
    2.6250  3.085769E+01  1.036250E-01
    2.6750  2.842373E+01  1.227023E-01
    2.7250  2.426321E+01  1.396016E-01
    2.7750  2.117076E+01  1.548930E-01
    2.8250  1.767837E+01  1.681263E-01
    2.8750  1.714237E+01  1.814165E-01
    2.9250  1.473539E+01  1.932414E-01
    2.9750  1.337889E+01  2.043480E-01
    3.0250  1.281406E+01  2.153462E-01
    3.0750  1.175789E+01  2.257743E-01
    3.1250  1.124149E+01  2.360712E-01
    3.1750  1.122187E+01  2.466817E-01
    3.2250  1.108701E+01  2.574975E-01
    3.2750  1.086442E+01  2.684273E-01
    3.3250  1.084803E+01  2.796764E-01
    3.3750  1.085452E+01  2.912733E-01
    3.4250  1.081456E+01  3.031723E-01
    3.4750  1.063647E+01  3.152196E-01
    3.5250  1.086522E+01  3.278827E-01
    3.5750  1.134343E+01  3.414808E-01
    3.6250  1.227703E+01  3.566126E-01
    3.6750  1.367356E+01  3.739338E-01
    3.7250  1.436474E+01  3.926291E-01
    3.7750  1.447728E+01  4.119800E-01
    3.8250  1.391846E+01  4.310801E-01
    3.8750  1.386116E+01  4.506021E-01
    3.9250  1.334454E+01  4.698846E-01
    3.9750  1.343028E+01  4.897886E-01
    4.0250  1.287731E+01  5.093562E-01
    4.0750  1.292565E+01  5.294882E-01
    4.1250  1.350016E+01  5.510343E-01
    4.1750  1.304971E+01  5.723693E-01
    4.2250  1.337266E+01  5.947592E-01
    4.2750  1.355062E+01  6.179871E-01
    4.3250  1.482821E+01  6.440031E-01
    4.3750  1.569485E+01  6.721800E-01
    4.4250  1.688198E+01  7.031849E-01
    4.4750  1.845257E+01  7.378444E-01
    4.5250  1.993813E+01  7.761357E-01
    4.5750  2.150281E+01  8.183498E-01
    4.6250  2.283640E+01  8.641671E-01
    4.6750  2.369946E+01  9.127497E-01
    4.7250  2.490227E+01  9.648958E-01
    4.7750  2.558853E+01  1.019619E+00
    4.8250  2.423847E+01  1.072546E+00
    4.8750  2.348037E+01  1.124886E+00
    4.9250  2.203116E+01  1.175008E+00
    4.9750  2.029379E+01  1.222120E+00
    5.0250  1.942974E+01  1.268137E+00
    5.0750  1.794659E+01  1.311491E+00
    5.1250  1.643401E+01  1.351977E+00
    5.1750  1.524637E+01  1.390274E+00
    5.2250  1.488250E+01  1.428383E+00
    5.2750  1.398129E+01  1.464873E+00
    5.3250  1.345628E+01  1.500661E+00
    5.3750  1.314818E+01  1.536290E+00
    5.4250  1.286976E+01  1.571816E+00
    5.4750  1.280612E+01  1.607821E+00
    5.5250  1.293183E+01  1.644847E+00
    5.5750  1.290432E+01  1.682466E+00
    5.6250  1.288341E+01  1.720700E+00
    5.6750  1.325006E+01  1.760725E+00
    5.7250  1.347031E+01  1.802135E+00
    5.7750  1.354063E+01  1.844491E+00
    5.8250  1.356715E+01  1.887669E+00
    5.8750  1.317694E+01  1.930327E+00
    5.9250  1.305072E+01  1.973300E+00
    5.9750  1.216746E+01  2.014043E+00
    6.0250  1.163479E+01  2.053657E+00
    6.0750  1.176854E+01  2.094394E+00
    6.1250  1.128229E+01  2.134094E+00
    6.1750  1.138408E+01  2.174808E+00
    6.2250  1.121606E+01  2.215574E+00
    6.2750  1.102722E+01  2.256300E+00
    6.3250  1.071378E+01  2.296502E+00
    6.3750  1.059424E+01  2.336885E+00
    6.4250  1.073776E+01  2.378461E+00
    6.4750  1.052472E+01  2.419848E+00
    6.5250  1.063817E+01  2.462330E+00
    6.5750  1.041793E+01  2.504573E+00
    6.6250  1.025157E+01  2.546775E+00
    6.6750  1.009175E+01  2.588949E+00
    6.7250  9.784984E+00  2.630456E+00
    6.7750  9.864901E+00  2.672927E+00
    6.8250  9.803105E+00  2.715757E+00
    6.8750  9.420537E+00  2.757520E+00
    6.9250  9.255837E+00  2.799153E+00
    6.9750  8.907456E+00  2.839799E+00
    7.0250  8.826685E+00  2.880656E+00
    7.0750  8.800734E+00  2.921975E+00
    7.1250  8.248975E+00  2.961253E+00
    7.1750  8.172193E+00  3.000713E+00
    7.2250  8.111877E+00  3.040429E+00
    7.2750  7.895091E+00  3.079622E+00
    7.3250  7.522574E+00  3.117480E+00
    7.3750  7.645558E+00  3.156484E+00
    7.4250  7.601373E+00  3.195790E+00
    7.4750  7.494584E+00  3.235068E+00
    7.5250  7.165591E+00  3.273125E+00
    7.5750  7.055417E+00  3.311097E+00
    7.6250  6.924507E+00  3.348859E+00
    7.6750  6.900624E+00  3.386985E+00
    7.7250  6.646567E+00  3.424187E+00
    7.7750  6.615656E+00  3.461697E+00
    7.8250  6.558186E+00  3.499361E+00
    7.8750  6.574172E+00  3.537601E+00
    7.9250  6.414050E+00  3.575385E+00
    7.9750  6.316671E+00  3.613067E+00
    8.0250  6.339201E+00  3.651358E+00
    8.0750  6.208735E+00  3.689330E+00
    8.1250  6.090198E+00  3.727040E+00
    8.1750  6.037758E+00  3.764887E+00
    8.2250  5.842371E+00  3.801958E+00
    8.2750  5.698301E+00  3.838556E+00
    8.3250  5.737941E+00  3.875855E+00
    8.3750  5.471170E+00  3.911849E+00
    8.4250  5.385870E+00  3.947706E+00
    8.4750  5.216717E+00  3.982850E+00
    8.5250  5.030240E+00  4.017139E+00
    8.5750  4.992417E+00  4.051570E+00
    8.6250  4.884857E+00  4.085654E+00
    8.6750  4.758435E+00  4.119241E+00
    8.7250  4.705651E+00  4.152840E+00
    8.7750  4.536130E+00  4.185601E+00
    8.8250  4.423995E+00  4.217918E+00
    8.8750  4.220709E+00  4.249099E+00
    8.9250  4.236890E+00  4.280754E+00
    8.9750  4.078881E+00  4.311571E+00
    9.0250  3.896489E+00  4.341338E+00
    9.0750  3.903863E+00  4.371494E+00
    9.1250  3.802064E+00  4.401187E+00
    9.1750  3.792511E+00  4.431131E+00
    9.2250  3.677224E+00  4.460483E+00
    9.2750  3.665949E+00  4.490062E+00
    9.3250  3.621848E+00  4.519602E+00
    9.3750  3.478882E+00  4.548280E+00
    9.4250  3.442069E+00  4.576959E+00
    9.4750  3.474225E+00  4.606214E+00
    9.5250  3.258282E+00  4.633940E+00
    9.5750  3.209755E+00  4.661541E+00
    9.6250  3.171900E+00  4.689102E+00
    9.6750  3.062571E+00  4.715990E+00
    9.7250  3.029232E+00  4.742862E+00
    9.7750  2.953153E+00  4.769328E+00
    9.8250  2.845716E+00  4.795093E+00
    9.8750  2.826322E+00  4.820944E+00
    9.9250  2.868267E+00  4.847445E+00
    9.9750  2.791321E+00  4.873495E+00
   10.0250  2.755684E+00  4.899471E+00
   10.0750  2.693666E+00  4.925116E+00
   10.1250  2.609018E+00  4.950203E+00
   10.1750  2.568174E+00  4.975141E+00
   10.2250  2.409974E+00  4.998774E+00
   10.2750  2.446457E+00  5.023000E+00
   10.3250  2.397730E+00  5.046975E+00
   10.3750  2.308603E+00  5.070283E+00
   10.4250  2.202612E+00  5.092735E+00
   10.4750  2.062526E+00  5.113962E+00
   10.5250  2.032550E+00  5.135080E+00
   10.5750  1.986741E+00  5.155919E+00
   10.6250  1.897547E+00  5.176011E+00
   10.6750  1.788063E+00  5.195123E+00
   10.7250  1.815293E+00  5.214708E+00
   10.7750  1.716807E+00  5.233403E+00
   10.8250  1.649627E+00  5.251534E+00
   10.8750  1.578982E+00  5.269049E+00
   10.9250  1.516688E+00  5.286028E+00
   10.9750  1.519050E+00  5.303189E+00
   11.0250  1.418285E+00  5.319359E+00
   11.0750  1.470431E+00  5.336275E+00
   11.1250  1.449876E+00  5.353106E+00
   11.1750  1.384847E+00  5.369327E+00
   11.2250  1.365301E+00  5.385462E+00
   11.2750  1.329310E+00  5.401312E+00
   11.3250  1.340822E+00  5.417442E+00
   11.3750  1.257651E+00  5.432705E+00
   11.4250  1.229902E+00  5.447763E+00
   11.4750  1.220593E+00  5.462838E+00
   11.5250  1.197668E+00  5.477758E+00
   11.5750  1.157399E+00  5.492303E+00
   11.6250  1.113729E+00  5.506420E+00
   11.6750  1.067640E+00  5.520069E+00
   11.7250  1.054575E+00  5.533667E+00
   11.7750  1.007057E+00  5.546764E+00
   11.8250  1.030728E+00  5.560282E+00
   11.8750  9.543882E-01  5.572905E+00
   11.9250  9.045104E-01  5.584970E+00
   11.9750  8.583980E-01  5.596515E+00
   12.0250  8.197457E-01  5.607633E+00
   12.0750  8.033821E-01  5.618620E+00
   12.1250  7.521144E-01  5.628991E+00
   12.1750  7.635834E-01  5.639607E+00
   12.2250  7.256243E-01  5.649779E+00
   12.2750  6.789782E-01  5.659374E+00
   12.3250  6.918881E-01  5.669232E+00
   12.3750  6.509808E-01  5.678583E+00
   12.4250  6.138582E-01  5.687471E+00
   12.4750  5.823865E-01  5.695972E+00
   12.5250  6.033202E-01  5.704850E+00
   12.5750  5.128078E-01  5.712456E+00
   12.6250  5.495611E-01  5.720671E+00
   12.6750  4.722081E-01  5.727787E+00
   12.7250  4.763880E-01  5.735022E+00
   12.7750  4.532977E-01  5.741961E+00
   12.8250  4.468136E-01  5.748854E+00
   12.8750  4.393161E-01  5.755684E+00
   12.9250  4.319211E-01  5.762452E+00
   12.9750  4.224603E-01  5.769123E+00
   13.0250  4.181482E-01  5.775777E+00
   13.0750  3.808210E-01  5.781883E+00
   13.1250  3.867468E-01  5.788132E+00
   13.1750  3.505481E-01  5.793839E+00
   13.2250  3.531158E-01  5.799632E+00
   13.2750  3.497709E-01  5.805413E+00
   13.3250  3.183929E-01  5.810715E+00
   13.3750  3.003859E-01  5.815756E+00
   13.4250  2.755550E-01  5.820414E+00
   13.4750  2.748530E-01  5.825095E+00
   13.5250  2.575384E-01  5.829513E+00
   13.5750  2.563045E-01  5.833943E+00
   13.6250  2.482053E-01  5.838265E+00
   13.6750  2.291655E-01  5.842285E+00
   13.7250  2.300804E-01  5.846350E+00
   13.7750  2.034255E-01  5.849970E+00
   13.8250  2.099078E-01  5.853733E+00
   13.8750  2.121867E-01  5.857565E+00
   13.9250  1.974990E-01  5.861157E+00
   13.9750  1.914196E-01  5.864663E+00

g(r)  :HC      O       

        r      g(r)         n(r)

    1.9750  0.000000E+00  0.000000E+00
    2.0250  0.000000E+00  0.000000E+00
    2.0750  4.235253E-02  1.710454E-05
    2.1250  9.422702E-02  5.701514E-05
    2.1750  3.340804E-01  2.052545E-04
    2.2250  1.448835E+00  8.780332E-04
    2.2750  3.499865E+00  2.577084E-03
    2.3250  8.231212E+00  6.750593E-03
    2.3750  1.364287E+01  1.396871E-02
    2.4250  1.929838E+01  2.461344E-02
    2.4750  2.591930E+01  3.950579E-02
    2.5250  2.867849E+01  5.665595E-02
    2.5750  3.057335E+01  7.567050E-02
    2.6250  3.069890E+01  9.551177E-02
    2.6750  2.757425E+01  1.140189E-01
    2.7250  2.564664E+01  1.318817E-01
    2.7750  2.486498E+01  1.498415E-01
    2.8250  2.224839E+01  1.664956E-01
    2.8750  2.060615E+01  1.824713E-01
    2.9250  1.893434E+01  1.976658E-01
    2.9750  1.763706E+01  2.123073E-01
    3.0250  1.580999E+01  2.258769E-01
    3.0750  1.585932E+01  2.399425E-01
    3.1250  1.460895E+01  2.533240E-01
    3.1750  1.345298E+01  2.660441E-01
    3.2250  1.326701E+01  2.789865E-01
    3.2750  1.282534E+01  2.918890E-01
    3.3250  1.205215E+01  3.043867E-01
    3.3750  1.197520E+01  3.171809E-01
    3.4250  1.207376E+01  3.304655E-01
    3.4750  1.125060E+01  3.432084E-01
    3.5250  1.154032E+01  3.566582E-01
    3.5750  1.143856E+01  3.703704E-01
    3.6250  1.222615E+01  3.854395E-01
    3.6750  1.293543E+01  4.018256E-01
    3.7250  1.439978E+01  4.205665E-01
    3.7750  1.526640E+01  4.409722E-01
    3.8250  1.446273E+01  4.608192E-01
    3.8750  1.349682E+01  4.798280E-01
    3.9250  1.308018E+01  4.987286E-01
    3.9750  1.256468E+01  5.173497E-01
    4.0250  1.265594E+01  5.365809E-01
    4.0750  1.249004E+01  5.560345E-01
    4.1250  1.274281E+01  5.763718E-01
    4.1750  1.276375E+01  5.972393E-01
    4.2250  1.344417E+01  6.197489E-01
    4.2750  1.428569E+01  6.442369E-01
    4.3250  1.487371E+01  6.703327E-01
    4.3750  1.516132E+01  6.975518E-01
    4.4250  1.503483E+01  7.251642E-01
    4.4750  1.533819E+01  7.539740E-01
    4.5250  1.529204E+01  7.833425E-01
    4.5750  1.538653E+01  8.135491E-01
    4.6250  1.612415E+01  8.458995E-01
    4.6750  1.618439E+01  8.790766E-01
    4.7250  1.652981E+01  9.136905E-01
    4.7750  1.685996E+01  9.497469E-01
    4.8250  1.666639E+01  9.861396E-01
    4.8750  1.620094E+01  1.022253E+00
    4.9250  1.568571E+01  1.057939E+00
    4.9750  1.488326E+01  1.092490E+00
    5.0250  1.471374E+01  1.127338E+00
    5.0750  1.410190E+01  1.161404E+00
    5.1250  1.403406E+01  1.195978E+00
    5.1750  1.378234E+01  1.230598E+00
    5.2250  1.351983E+01  1.265217E+00
    5.2750  1.355748E+01  1.300601E+00
    5.3250  1.306183E+01  1.335340E+00
    5.3750  1.313556E+01  1.370935E+00
    5.4250  1.212414E+01  1.404403E+00
    5.4750  1.169078E+01  1.437272E+00
    5.5250  1.144629E+01  1.470044E+00
    5.5750  1.134751E+01  1.503124E+00
    5.6250  1.095071E+01  1.535623E+00
    5.6750  1.077747E+01  1.568179E+00
    5.7250  1.095726E+01  1.601863E+00
    5.7750  1.066446E+01  1.635223E+00
    5.8250  1.075626E+01  1.669455E+00
    5.8750  1.055459E+01  1.703624E+00
    5.9250  1.046551E+01  1.738084E+00
    5.9750  1.007655E+01  1.771825E+00
    6.0250  9.827948E+00  1.805288E+00
    6.0750  9.492245E+00  1.838145E+00
    6.1250  8.992775E+00  1.869789E+00
    6.1750  8.715416E+00  1.900959E+00
    6.2250  8.495969E+00  1.931838E+00
    6.2750  8.070885E+00  1.961646E+00
    6.3250  7.939229E+00  1.991436E+00
    6.3750  7.963258E+00  2.021791E+00
    6.4250  7.536456E+00  2.050972E+00
    6.4750  7.556802E+00  2.080688E+00
    6.5250  7.617046E+00  2.111105E+00
    6.5750  7.476329E+00  2.141420E+00
    6.6250  7.185243E+00  2.171000E+00
    6.6750  7.170775E+00  2.200967E+00
    6.7250  7.029597E+00  2.230786E+00
    6.7750  6.964628E+00  2.260770E+00
    6.8250  6.695917E+00  2.290025E+00
    6.8750  6.776356E+00  2.320066E+00
    6.9250  6.730827E+00  2.350341E+00
    6.9750  7.094478E+00  2.382714E+00
    7.0250  6.848503E+00  2.414415E+00
    7.0750  6.804266E+00  2.446360E+00
    7.1250  6.929427E+00  2.479355E+00
    7.1750  6.926468E+00  2.512800E+00
    7.2250  7.013758E+00  2.547140E+00
    7.2750  7.055506E+00  2.582165E+00
    7.3250  6.789576E+00  2.616334E+00
    7.3750  6.836410E+00  2.651210E+00
    7.4250  6.799778E+00  2.686371E+00
    7.4750  6.936488E+00  2.722724E+00
    7.5250  6.840321E+00  2.759054E+00
    7.5750  6.856255E+00  2.795954E+00
    7.6250  6.870139E+00  2.833419E+00
    7.6750  6.989371E+00  2.872035E+00
    7.7250  7.004106E+00  2.911239E+00
    7.7750  7.066152E+00  2.951303E+00
    7.8250  7.214402E+00  2.992736E+00
    7.8750  7.121121E+00  3.034158E+00
    7.9250  7.056713E+00  3.075728E+00
    7.9750  7.065993E+00  3.117879E+00
    8.0250  7.072608E+00  3.160600E+00
    8.0750  6.887407E+00  3.202723E+00
    8.1250  6.764227E+00  3.244606E+00
    8.1750  6.509827E+00  3.285412E+00
    8.2250  6.246719E+00  3.325049E+00
    8.2750  6.101328E+00  3.364236E+00
    8.3250  5.871259E+00  3.402401E+00
    8.3750  5.810897E+00  3.440630E+00
    8.4250  5.650496E+00  3.478249E+00
    8.4750  5.456226E+00  3.515006E+00
    8.5250  5.407467E+00  3.551867E+00
    8.5750  5.342936E+00  3.588716E+00
    8.6250  5.330197E+00  3.625907E+00
    8.6750  5.233391E+00  3.662847E+00
    8.7250  5.163999E+00  3.699718E+00
    8.7750  5.095055E+00  3.736516E+00
    8.8250  5.093682E+00  3.773724E+00
    8.8750  5.006352E+00  3.810710E+00
    8.9250  4.906917E+00  3.847370E+00
    8.9750  4.825984E+00  3.883832E+00
    9.0250  4.732358E+00  3.919985E+00
    9.0750  4.643449E+00  3.955853E+00
    9.1250  4.632854E+00  3.992035E+00
    9.1750  4.426522E+00  4.026985E+00
    9.2250  4.283666E+00  4.061177E+00
    9.2750  4.260924E+00  4.095557E+00
    9.3250  4.211158E+00  4.129903E+00
    9.3750  3.991378E+00  4.162807E+00
    9.4250  3.890975E+00  4.195226E+00
    9.4750  3.963094E+00  4.228597E+00
    9.5250  3.756773E+00  4.260565E+00
    9.5750  3.657967E+00  4.292020E+00
    9.6250  3.553132E+00  4.322894E+00
    9.6750  3.463251E+00  4.353300E+00
    9.7250  3.519000E+00  4.384516E+00
    9.7750  3.505995E+00  4.415937E+00
    9.8250  3.402391E+00  4.446742E+00
    9.8750  3.307558E+00  4.476994E+00
    9.9250  3.292829E+00  4.507418E+00
    9.9750  3.264789E+00  4.537887E+00
   10.0250  3.190569E+00  4.567962E+00
   10.0750  3.096698E+00  4.597445E+00
   10.1250  3.146831E+00  4.627703E+00
   10.1750  3.048459E+00  4.657305E+00
   10.2250  2.911156E+00  4.685852E+00
   10.2750  2.908226E+00  4.714651E+00
   10.3250  2.835651E+00  4.743004E+00
   10.3750  2.785797E+00  4.771130E+00
   10.4250  2.830172E+00  4.799979E+00
   10.4750  2.605442E+00  4.826794E+00
   10.5250  2.548370E+00  4.853272E+00
   10.5750  2.581404E+00  4.880348E+00
   10.6250  2.461319E+00  4.906410E+00
   10.6750  2.419646E+00  4.932272E+00
   10.7250  2.364373E+00  4.957780E+00
   10.7750  2.313684E+00  4.982975E+00
   10.8250  2.178234E+00  5.006916E+00
   10.8750  2.162363E+00  5.030902E+00
   10.9250  2.110530E+00  5.054529E+00
   10.9750  2.081754E+00  5.078048E+00
   11.0250  1.980899E+00  5.100632E+00
   11.0750  1.954132E+00  5.123113E+00
   11.1250  1.957235E+00  5.145833E+00
   11.1750  1.851168E+00  5.167516E+00
   11.2250  1.797566E+00  5.188760E+00
   11.2750  1.808436E+00  5.210323E+00
   11.3250  1.674013E+00  5.230461E+00
   11.3750  1.618457E+00  5.250103E+00
   11.4250  1.569394E+00  5.269317E+00
   11.4750  1.500350E+00  5.287847E+00
   11.5250  1.404068E+00  5.305339E+00
   11.5750  1.420094E+00  5.323185E+00
   11.6250  1.313894E+00  5.339839E+00
   11.6750  1.305340E+00  5.356527E+00
   11.7250  1.274333E+00  5.372959E+00
   11.7750  1.253450E+00  5.389259E+00
   11.8250  1.175490E+00  5.404676E+00
   11.8750  1.167337E+00  5.420116E+00
   11.9250  1.127646E+00  5.435157E+00
   11.9750  1.104260E+00  5.450009E+00
   12.0250  9.963063E-01  5.463522E+00
   12.0750  1.027262E+00  5.477570E+00
   12.1250  9.931714E-01  5.491265E+00
   12.1750  9.784693E-01  5.504869E+00
   12.2250  9.973267E-01  5.518849E+00
   12.2750  9.468579E-01  5.532231E+00
   12.3250  9.523966E-01  5.545800E+00
   12.3750  9.030374E-01  5.558771E+00
   12.4250  8.575902E-01  5.571189E+00
   12.4750  8.565886E-01  5.583693E+00
   12.5250  8.381385E-01  5.596025E+00
   12.5750  8.091907E-01  5.608027E+00
   12.6250  7.703771E-01  5.619544E+00
   12.6750  7.514465E-01  5.630867E+00
   12.7250  7.053846E-01  5.641580E+00
   12.7750  6.592744E-01  5.651672E+00
   12.8250  6.996014E-01  5.662465E+00
   12.8750  6.784097E-01  5.673012E+00
   12.9250  6.346001E-01  5.682956E+00
   12.9750  6.224971E-01  5.692785E+00
   13.0250  5.883456E-01  5.702147E+00
   13.0750  5.710537E-01  5.711304E+00
   13.1250  5.518905E-01  5.720221E+00
   13.1750  5.326510E-01  5.728893E+00
   13.2250  4.928329E-01  5.736978E+00
   13.2750  4.894723E-01  5.745068E+00
   13.3250  4.529395E-01  5.752611E+00
   13.3750  4.356275E-01  5.759921E+00
   13.4250  4.371105E-01  5.767310E+00
   13.4750  4.017339E-01  5.774152E+00
   13.5250  3.904614E-01  5.780851E+00
   13.5750  3.717569E-01  5.787277E+00
   13.6250  3.709981E-01  5.793736E+00
   13.6750  3.478115E-01  5.799837E+00
   13.7250  3.239842E-01  5.805561E+00
   13.7750  2.896010E-01  5.810715E+00
   13.8250  2.677914E-01  5.815516E+00
   13.8750  2.873362E-01  5.820704E+00
   13.9250  2.435822E-01  5.825135E+00
   13.9750  2.536698E-01  5.829781E+00

g(r)  :HC      K       

        r      g(r)         n(r)

    2.3250  0.000000E+00  0.000000E+00
    2.3750  0.000000E+00  0.000000E+00
    2.4250  3.675225E-02  1.140303E-05
    2.4750  1.058471E-01  4.561211E-05
    2.5250  2.033935E-01  1.140303E-04
    2.5750  3.096551E-01  2.223591E-04
    2.6250  5.959429E-01  4.390166E-04
    2.6750  4.530580E-01  6.100620E-04
    2.7250  6.112191E-01  8.495256E-04
    2.7750  9.963535E-01  1.254333E-03
    2.8250  7.853668E-01  1.585021E-03
    2.8750  8.105837E-01  1.938515E-03
    2.9250  9.599400E-01  2.371830E-03
    2.9750  1.159931E+00  2.913474E-03
    3.0250  9.683805E-01  3.380998E-03
    3.0750  9.371451E-01  3.848522E-03
    3.1250  9.627261E-01  4.344554E-03
    3.1750  1.093444E+00  4.926108E-03
    3.2250  1.309167E+00  5.644499E-03
    3.2750  9.067849E-01  6.157635E-03
    3.3250  9.481413E-01  6.710682E-03
    3.3750  1.015129E+00  7.320744E-03
    3.4250  9.949189E-01  7.936508E-03
    3.4750  1.100730E+00  8.637794E-03
    3.5250  1.026241E+00  9.310573E-03
    3.5750  9.892806E-01  9.977650E-03
    3.6250  1.019745E+00  1.068464E-02
    3.6750  1.032194E+00  1.142013E-02
    3.7250  8.956361E-01  1.207581E-02
    3.7750  1.069231E+00  1.287972E-02
    3.8250  1.100551E+00  1.372925E-02
    3.8750  1.000364E+00  1.452176E-02
    3.9250  9.189225E-01  1.526866E-02
    3.9750  8.891114E-01  1.600985E-02
    4.0250  9.005114E-01  1.677956E-02
    4.0750  1.034735E+00  1.768610E-02
    4.1250  1.238438E+00  1.879789E-02
    4.1750  1.134556E+00  1.984127E-02
    4.2250  1.004945E+00  2.078772E-02
    4.2750  1.135316E+00  2.188241E-02
    4.3250  1.126550E+00  2.299421E-02
    4.3750  9.880297E-01  2.399197E-02
    4.4250  1.092765E+00  2.512087E-02
    4.4750  1.014519E+00  2.619276E-02
    4.5250  9.869447E-01  2.725894E-02
    4.5750  9.809794E-01  2.834223E-02
    4.6250  8.386354E-01  2.928868E-02
    4.6750  8.356264E-01  3.025223E-02
    4.7250  9.971313E-01  3.142675E-02
    4.7750  8.294308E-01  3.242451E-02
    4.8250  9.701538E-01  3.361613E-02
    4.8750  1.023110E+00  3.489897E-02
    4.9250  9.890758E-01  3.616471E-02
    4.9750  1.065351E+00  3.755587E-02
    5.0250  1.134130E+00  3.906678E-02
    5.0750  1.174831E+00  4.066320E-02
    5.1250  1.312479E+00  4.248198E-02
    5.1750  1.666552E+00  4.483671E-02
    5.2250  1.622934E+00  4.717433E-02
    5.2750  1.685522E+00  4.964879E-02
    5.3250  1.764539E+00  5.228859E-02
    5.3750  1.600945E+00  5.472884E-02
    5.4250  1.788213E+00  5.750547E-02
    5.4750  1.780937E+00  6.032202E-02
    5.5250  1.763009E+00  6.316138E-02
    5.5750  1.814975E+00  6.613757E-02
    5.6250  1.871654E+00  6.926200E-02
    5.6750  1.999883E+00  7.266010E-02
    5.7250  2.011263E+00  7.613802E-02
    5.7750  2.083517E+00  7.980410E-02
    5.8250  2.184854E+00  8.371533E-02
    5.8750  2.266799E+00  8.784323E-02
    5.9250  2.145588E+00  9.181719E-02
    5.9750  2.167342E+00  9.589947E-02
    6.0250  2.158312E+00  1.000331E-01
    6.0750  2.286909E+00  1.044860E-01
    6.1250  2.232441E+00  1.089046E-01
    6.1750  2.034890E+00  1.129983E-01
    6.2250  2.247744E+00  1.175937E-01
    6.2750  2.094053E+00  1.219440E-01
    6.3250  2.039466E+00  1.262486E-01
    6.3750  2.217667E+00  1.310037E-01
    6.4250  2.178049E+00  1.357474E-01
    6.4750  2.118766E+00  1.404340E-01
    6.5250  1.992504E+00  1.449097E-01
    6.5750  2.057307E+00  1.496020E-01
    6.6250  1.817085E+00  1.538098E-01
    6.6750  1.903960E+00  1.582854E-01
    6.7250  1.751500E+00  1.624647E-01
    6.7750  1.756350E+00  1.667180E-01
    6.8250  1.716790E+00  1.709371E-01
    6.8750  1.694196E+00  1.751619E-01
    6.9250  1.599962E+00  1.792100E-01
    6.9750  1.665957E+00  1.834861E-01
    7.0250  1.594152E+00  1.876368E-01
    7.0750  1.675328E+00  1.920612E-01
    7.1250  1.656155E+00  1.964970E-01
    7.1750  1.584872E+00  2.008016E-01
    7.2250  1.707927E+00  2.055054E-01
    7.2750  1.564062E+00  2.098727E-01
    7.3250  1.591120E+00  2.143769E-01
    7.3750  1.571606E+00  2.188868E-01
    7.4250  1.593635E+00  2.235222E-01
    7.4750  1.593661E+00  2.282202E-01
    7.5250  1.446596E+00  2.325420E-01
    7.5750  1.440746E+00  2.369036E-01
    7.6250  1.522283E+00  2.415732E-01
    7.6750  1.454815E+00  2.460945E-01
    7.7250  1.446909E+00  2.506500E-01
    7.7750  1.294283E+00  2.547779E-01
    7.8250  1.279560E+00  2.589115E-01
    7.8750  1.256393E+00  2.630223E-01
    7.9250  1.231986E+00  2.671045E-01
    7.9750  1.243773E+00  2.712781E-01
    8.0250  1.147777E+00  2.751779E-01
    8.0750  1.092174E+00  2.789352E-01
    8.1250  1.080410E+00  2.826982E-01
    8.1750  1.099575E+00  2.865752E-01
    8.2250  1.095831E+00  2.904865E-01
    8.2750  1.141021E+00  2.946086E-01
    8.3250  1.121120E+00  2.987080E-01
    8.3750  1.121639E+00  3.028587E-01
    8.4250  1.090096E+00  3.069410E-01
    8.4750  1.057712E+00  3.109492E-01
    8.5250  1.017089E+00  3.148490E-01
    8.5750  1.006732E+00  3.187546E-01
    8.6250  9.994517E-01  3.226772E-01
    8.6750  9.865279E-01  3.265941E-01
    8.7250  9.085330E-01  3.302431E-01
    8.7750  9.978540E-01  3.342969E-01
    8.8250  9.102613E-01  3.380371E-01
    8.8750  9.055217E-01  3.418001E-01
    8.9250  8.628441E-01  3.454262E-01
    8.9750  8.774058E-01  3.491550E-01
    9.0250  8.942463E-01  3.529979E-01
    9.0750  9.001659E-01  3.569091E-01
    9.1250  8.682646E-01  3.607234E-01
    9.1750  8.588270E-01  3.645377E-01
    9.2250  8.711303E-01  3.684490E-01
    9.2750  8.240769E-01  3.721892E-01
    9.3250  8.015928E-01  3.758666E-01
    9.3750  7.918357E-01  3.795384E-01
    9.4250  8.771307E-01  3.836492E-01
    9.4750  8.835465E-01  3.878341E-01
    9.5250  8.099734E-01  3.917111E-01
    9.5750  8.392556E-01  3.957706E-01
    9.6250  8.223931E-01  3.997902E-01
    9.6750  7.804347E-01  4.036444E-01
    9.7250  7.872848E-01  4.075728E-01
    9.7750  7.702034E-01  4.114555E-01
    9.8250  7.411135E-01  4.152299E-01
    9.8750  8.134179E-01  4.194148E-01
    9.9250  8.227959E-01  4.236909E-01
    9.9750  8.634421E-01  4.282236E-01
   10.0250  7.645269E-01  4.322774E-01
   10.0750  7.867672E-01  4.364908E-01
   10.1250  7.537163E-01  4.405674E-01
   10.1750  7.536337E-01  4.446839E-01
   10.2250  7.514494E-01  4.488289E-01
   10.2750  7.861212E-01  4.532077E-01
   10.3250  7.582518E-01  4.574724E-01
   10.3750  7.730480E-01  4.618626E-01
   10.4250  8.809953E-01  4.669141E-01
   10.4750  8.410887E-01  4.717832E-01
   10.5250  8.457984E-01  4.767264E-01
   10.5750  7.991656E-01  4.814416E-01
   10.6250  8.098498E-01  4.862651E-01
   10.6750  7.795214E-01  4.909517E-01
   10.7250  7.750886E-01  4.956554E-01
   10.7750  8.163137E-01  5.006557E-01
   10.8250  7.506900E-01  5.052967E-01
   10.8750  8.150765E-01  5.103825E-01
   10.9250  8.194034E-01  5.155423E-01
   10.9750  7.724781E-01  5.204513E-01
   11.0250  7.690436E-01  5.253831E-01
   11.0750  7.806176E-01  5.304347E-01
   11.1250  7.832213E-01  5.355489E-01
   11.1750  8.004584E-01  5.408228E-01
   11.2250  8.516647E-01  5.464844E-01
   11.2750  8.441279E-01  5.521460E-01
   11.3250  8.240518E-01  5.577221E-01
   11.3750  8.936616E-01  5.638228E-01
   11.4250  8.204523E-01  5.694730E-01
   11.4750  8.461462E-01  5.753512E-01
   11.5250  8.038355E-01  5.809843E-01
   11.5750  8.259430E-01  5.868227E-01
   11.6250  7.780707E-01  5.923702E-01
   11.6750  8.237471E-01  5.982941E-01
   11.7250  8.466076E-01  6.044346E-01
   11.7750  8.441095E-01  6.106094E-01
   11.8250  8.833567E-01  6.171262E-01
   11.8750  8.544759E-01  6.234834E-01
   11.9250  8.245275E-01  6.296695E-01
   11.9750  8.138885E-01  6.358272E-01
   12.0250  8.332914E-01  6.421844E-01
   12.0750  8.012049E-01  6.483477E-01
   12.1250  8.372447E-01  6.548417E-01
   12.1750  8.238207E-01  6.612844E-01
   12.2250  7.729870E-01  6.673794E-01
   12.2750  7.645509E-01  6.734572E-01
   12.3250  8.010447E-01  6.798771E-01
   12.3750  8.058754E-01  6.863882E-01
   12.4250  7.707025E-01  6.926656E-01
   12.4750  8.131450E-01  6.993420E-01
   12.5250  8.307762E-01  7.062181E-01
   12.5750  8.200824E-01  7.130599E-01
   12.6250  8.088536E-01  7.198618E-01
   12.6750  8.293911E-01  7.268918E-01
   12.7250  7.995276E-01  7.337222E-01
   12.7750  8.548633E-01  7.410828E-01
   12.8250  8.206159E-01  7.482040E-01
   12.8750  7.973045E-01  7.551770E-01
   12.9250  8.312550E-01  7.625034E-01
   12.9750  8.190836E-01  7.697786E-01
   13.0250  7.815943E-01  7.767743E-01
   13.0750  7.964883E-01  7.839582E-01
   13.1250  8.098786E-01  7.913189E-01
   13.1750  8.547942E-01  7.991471E-01
   13.2250  8.390748E-01  8.068897E-01
   13.2750  8.456439E-01  8.147521E-01
   13.3250  8.502649E-01  8.227171E-01
   13.3750  8.662712E-01  8.308931E-01
   13.4250  8.718226E-01  8.391831E-01
   13.4750  8.659598E-01  8.474788E-01
   13.5250  9.139198E-01  8.562990E-01
   13.5750  8.696686E-01  8.647544E-01
   13.6250  8.650438E-01  8.732268E-01
   13.6750  8.916688E-01  8.820243E-01
   13.7250  9.184573E-01  8.911524E-01
   13.7750  9.676148E-01  9.008393E-01
   13.8250  9.250077E-01  9.101669E-01
   13.8750  9.570855E-01  9.198880E-01
   13.9250  8.939357E-01  9.290333E-01
   13.9750  9.008306E-01  9.383153E-01

g(r)  :HC      cl      

        r      g(r)         n(r)

    4.0750  0.000000E+00  0.000000E+00
    4.1250  0.000000E+00  0.000000E+00
    4.1750  3.099878E-02  2.850757E-05
    4.2250  0.000000E+00  2.850757E-05
    4.2750  2.365242E-02  5.131363E-05
    4.3250  1.733153E-02  6.841817E-05
    4.3750  1.693765E-02  8.552271E-05
    4.4250  2.207606E-02  1.083288E-04
    4.4750  1.079275E-02  1.197318E-04
    4.5250  5.277779E-03  1.254333E-04
    4.5750  0.000000E+00  1.254333E-04
    4.6250  5.052020E-03  1.311348E-04
    4.6750  4.944535E-03  1.368363E-04
    4.7250  0.000000E+00  1.368363E-04
    4.7750  4.739604E-03  1.425379E-04
    4.8250  4.641884E-03  1.482394E-04
    4.8750  0.000000E+00  1.482394E-04
    4.9250  2.673178E-02  1.824485E-04
    4.9750  0.000000E+00  1.824485E-04
    5.0250  0.000000E+00  1.824485E-04
    5.0750  4.195823E-03  1.881500E-04
    5.1250  1.234306E-02  2.052545E-04
    5.1750  4.035234E-03  2.109560E-04
    5.2250  1.979187E-02  2.394636E-04
    5.2750  1.941845E-02  2.679712E-04
    5.3250  1.524440E-02  2.907772E-04
    5.3750  2.244316E-02  3.249863E-04
    5.4250  2.203137E-02  3.591954E-04
    5.4750  3.244622E-02  4.105090E-04
    5.5250  3.894197E-02  4.732257E-04
    5.5750  6.258535E-02  5.758529E-04
    5.6250  5.806224E-02  6.727787E-04
    5.6750  7.046567E-02  7.925105E-04
    5.7250  6.264590E-02  9.008393E-04
    5.7750  3.888368E-02  9.692574E-04
    5.8250  6.369836E-02  1.083288E-03
    5.8750  3.130938E-02  1.140303E-03
    5.9250  6.772300E-02  1.265736E-03
    5.9750  3.027014E-02  1.322751E-03
    6.0250  4.763171E-02  1.413976E-03
    6.0750  4.977906E-02  1.510901E-03
    6.1250  4.896966E-02  1.607827E-03
    6.1750  6.801861E-02  1.744663E-03
    6.2250  6.971910E-02  1.887201E-03
    6.2750  7.684597E-02  2.046844E-03
    6.3250  9.454477E-02  2.246397E-03
    6.3750  8.509032E-02  2.428845E-03
    6.4250  9.424251E-02  2.634100E-03
    6.4750  5.928420E-02  2.765234E-03
    6.5250  1.040671E-01  2.998997E-03
    6.5750  1.324875E-01  3.301177E-03
    6.6250  1.354196E-01  3.614760E-03
    6.6750  1.212714E-01  3.899836E-03
    6.7250  1.624857E-01  4.287539E-03
    6.7750  1.883485E-01  4.743660E-03
    6.8250  1.902389E-01  5.211184E-03
    6.8750  2.034864E-01  5.718619E-03
    6.9250  1.554893E-01  6.112023E-03
    6.9750  2.243489E-01  6.687876E-03
    7.0250  1.948894E-01  7.195311E-03
    7.0750  2.482767E-01  7.850985E-03
    7.1250  2.150021E-01  8.426838E-03
    7.1750  2.372060E-01  9.071109E-03
    7.2250  2.442853E-01  9.743888E-03
    7.2750  2.286879E-01  1.038246E-02
    7.3250  2.719003E-01  1.115216E-02
    7.3750  2.582917E-01  1.189336E-02
    7.4250  2.587451E-01  1.264596E-02
    7.4750  2.746358E-01  1.345557E-02
    7.5250  3.110755E-01  1.438492E-02
    7.5750  2.843825E-01  1.524585E-02
    7.6250  3.104045E-01  1.619800E-02
    7.6750  3.412302E-01  1.725848E-02
    7.7250  3.241510E-01  1.827905E-02
    7.7750  3.700504E-01  1.945927E-02
    7.8250  3.159189E-01  2.047984E-02
    7.8750  3.554843E-01  2.164295E-02
    7.9250  3.234824E-01  2.271483E-02
    7.9750  3.568201E-01  2.391215E-02
    8.0250  3.456755E-01  2.508666E-02
    8.0750  3.380933E-01  2.624977E-02
    8.1250  3.617737E-01  2.750981E-02
    8.1750  2.942980E-01  2.854748E-02
    8.2250  3.354586E-01  2.974480E-02
    8.2750  3.203698E-01  3.090221E-02
    8.3250  3.290073E-01  3.210523E-02
    8.3750  3.266313E-01  3.331395E-02
    8.4250  3.456031E-01  3.460819E-02
    8.4750  3.806560E-01  3.605068E-02
    8.5250  3.583602E-01  3.742474E-02
    8.5750  3.571327E-01  3.881021E-02
    8.6250  3.936794E-01  4.035532E-02
    8.6750  3.647425E-01  4.180350E-02
    8.7250  3.790286E-01  4.332581E-02
    8.7750  3.943698E-01  4.492793E-02
    8.8250  3.954641E-01  4.655286E-02
    8.8750  4.116008E-01  4.826332E-02
    8.9250  3.988619E-01  4.993956E-02
    8.9750  3.971133E-01  5.162721E-02
    9.0250  4.457964E-01  5.354292E-02
    9.0750  3.975951E-01  5.527048E-02
    9.1250  4.114198E-01  5.707786E-02
    9.1750  3.992454E-01  5.885103E-02
    9.2250  4.101678E-01  6.069262E-02
    9.2750  4.308817E-01  6.264824E-02
    9.3250  4.001750E-01  6.448413E-02
    9.3750  4.057543E-01  6.636563E-02
    9.4250  4.282247E-01  6.837256E-02
    9.4750  4.237171E-01  7.037949E-02
    9.5250  4.192803E-01  7.238643E-02
    9.5750  4.137342E-01  7.438766E-02
    9.6250  4.094468E-01  7.638889E-02
    9.6750  4.029167E-01  7.837872E-02
    9.7250  3.919284E-01  8.033434E-02
    9.7750  4.433476E-01  8.256933E-02
    9.8250  3.895884E-01  8.455346E-02
    9.8750  3.923024E-01  8.657179E-02
    9.9250  4.059126E-01  8.868135E-02
    9.9750  3.757874E-01  9.065408E-02
   10.0250  4.548451E-01  9.306582E-02
   10.0750  4.162733E-01  9.529511E-02
   10.1250  4.954499E-01  9.797482E-02
   10.1750  4.697163E-01  1.005405E-01
   10.2250  4.527302E-01  1.030378E-01
   10.2750  4.442404E-01  1.055122E-01
   10.3250  4.703594E-01  1.081577E-01
   10.3750  4.407378E-01  1.106607E-01
   10.4250  4.434807E-01  1.132036E-01
   10.4750  4.343327E-01  1.157179E-01
   10.5250  4.321669E-01  1.182437E-01
   10.5750  4.126284E-01  1.206783E-01
   10.6250  4.183267E-01  1.231698E-01
   10.6750  4.248487E-01  1.257241E-01
   10.7250  4.819642E-01  1.286490E-01
   10.7750  4.626088E-01  1.314826E-01
   10.8250  4.565007E-01  1.343049E-01
   10.8750  4.870356E-01  1.373438E-01
   10.9250  4.382223E-01  1.401033E-01
   10.9750  4.476963E-01  1.429484E-01
   11.0250  5.076577E-01  1.462039E-01
   11.0750  4.731283E-01  1.492656E-01
   11.1250  4.723776E-01  1.523502E-01
   11.1750  4.733521E-01  1.554689E-01
   11.2250  4.785789E-01  1.586503E-01
   11.2750  5.125973E-01  1.620884E-01
   11.3250  5.173495E-01  1.655891E-01
   11.3750  4.702163E-01  1.687990E-01
   11.4250  5.240629E-01  1.724081E-01
   11.4750  5.277129E-01  1.760742E-01
   11.5250  4.840912E-01  1.794666E-01
   11.5750  5.065354E-01  1.830471E-01
   11.6250  5.533658E-01  1.869926E-01
   11.6750  5.121662E-01  1.906757E-01
   11.7250  5.329619E-01  1.945414E-01
   11.7750  5.206511E-01  1.983500E-01
   11.8250  5.556723E-01  2.024494E-01
   11.8750  5.226480E-01  2.063378E-01
   11.9250  5.395525E-01  2.103859E-01
   11.9750  5.652003E-01  2.146620E-01
   12.0250  6.128241E-01  2.193373E-01
   12.0750  5.625481E-01  2.236647E-01
   12.1250  6.196640E-01  2.284711E-01
   12.1750  6.335400E-01  2.334257E-01
   12.2250  6.363223E-01  2.384430E-01
   12.2750  6.849401E-01  2.438880E-01
   12.3250  6.900651E-01  2.494184E-01
   12.3750  6.837945E-01  2.549432E-01
   12.4250  6.622021E-01  2.603368E-01
   12.4750  7.416216E-01  2.664261E-01
   12.5250  6.819805E-01  2.720706E-01
   12.5750  7.203057E-01  2.780800E-01
   12.6250  7.173236E-01  2.841122E-01
   12.6750  7.271466E-01  2.902755E-01
   12.7250  7.341239E-01  2.965472E-01
   12.7750  7.720919E-01  3.031951E-01
   12.8250  7.871080E-01  3.100255E-01
   12.8750  7.627525E-01  3.166963E-01
   12.9250  7.924416E-01  3.236807E-01
   12.9750  7.863459E-01  3.306650E-01
   13.0250  8.210880E-01  3.380143E-01
   13.0750  8.072346E-01  3.452951E-01
   13.1250  8.261890E-01  3.528040E-01
   13.1750  8.186849E-01  3.603015E-01
   13.2250  8.155956E-01  3.678275E-01
   13.2750  8.346057E-01  3.755873E-01
   13.3250  8.387008E-01  3.834439E-01
   13.3750  8.402951E-01  3.913747E-01
   13.4250  7.902766E-01  3.988893E-01
   13.4750  8.373921E-01  4.069114E-01
   13.5250  8.229413E-01  4.148536E-01
   13.5750  8.673229E-01  4.232861E-01
   13.6250  8.330267E-01  4.314450E-01
   13.6750  8.697094E-01  4.400258E-01
   13.7250  8.519107E-01  4.484925E-01
   13.7750  8.599755E-01  4.571018E-01
   13.8250  8.283229E-01  4.654545E-01
   13.8750  8.717617E-01  4.743090E-01
   13.9250  8.632833E-01  4.831406E-01
   13.9750  8.217036E-01  4.916074E-01

g(r)  :HC      OW      

        r      g(r)         n(r)

    2.1750  0.000000E+00  0.000000E+00
    2.2250  0.000000E+00  0.000000E+00
    2.2750  1.793056E-04  5.701514E-06
    2.3250  3.433534E-04  1.710454E-05
    2.3750  1.974295E-03  8.552271E-05
    2.4250  9.468614E-03  4.276136E-04
    2.4750  2.620927E-02  1.413976E-03
    2.5250  4.861648E-02  3.318281E-03
    2.5750  9.139430E-02  7.041370E-03
    2.6250  1.260602E-01  1.237799E-02
    2.6750  1.695077E-01  1.982987E-02
    2.7250  2.148348E-01  2.963077E-02
    2.7750  2.477761E-01  4.135308E-02
    2.8250  2.858299E-01  5.536741E-02
    2.8750  3.181905E-01  7.152550E-02
    2.9250  3.455871E-01  8.969052E-02
    2.9750  3.557736E-01  1.090358E-01
    3.0250  3.708842E-01  1.298862E-01
    3.0750  3.674600E-01  1.512327E-01
    3.1250  3.926676E-01  1.747913E-01
    3.1750  3.831596E-01  1.985210E-01
    3.2250  3.699433E-01  2.221595E-01
    3.2750  3.942092E-01  2.481356E-01
    3.3250  3.931873E-01  2.748415E-01
    3.3750  4.068807E-01  3.033149E-01
    3.4250  4.078250E-01  3.327062E-01
    3.4750  4.080858E-01  3.629812E-01
    3.5250  4.074956E-01  3.940887E-01
    3.5750  4.099735E-01  4.262794E-01
    3.6250  4.002957E-01  4.585956E-01
    3.6750  4.241788E-01  4.937911E-01
    3.7250  4.083869E-01  5.286045E-01
    3.7750  4.203032E-01  5.654021E-01
    3.8250  4.194725E-01  6.031062E-01
    3.8750  4.315235E-01  6.429142E-01
    3.9250  4.285512E-01  6.834747E-01
    3.9750  4.379252E-01  7.259852E-01
    4.0250  4.383978E-01  7.696189E-01
    4.0750  4.545317E-01  8.159893E-01
    4.1250  4.488701E-01  8.629128E-01
    4.1750  4.603319E-01  9.122081E-01
    4.2250  4.597950E-01  9.626323E-01
    4.2750  4.712937E-01  1.015548E+00
    4.3250  4.733593E-01  1.069946E+00
    4.3750  4.696805E-01  1.125177E+00
    4.4250  4.759519E-01  1.182431E+00
    4.4750  4.764516E-01  1.241049E+00
    4.5250  4.661619E-01  1.299689E+00
    4.5750  4.716800E-01  1.360341E+00
    4.6250  4.714287E-01  1.422294E+00
    4.6750  4.669188E-01  1.484988E+00
    4.7250  4.816564E-01  1.551051E+00
    4.7750  4.778905E-01  1.617993E+00
    4.8250  4.827869E-01  1.687044E+00
    4.8750  4.881640E-01  1.758319E+00
    4.9250  4.853425E-01  1.830642E+00
    4.9750  4.899219E-01  1.905138E+00
    5.0250  4.939298E-01  1.981761E+00
    5.0750  4.942984E-01  2.059974E+00
    5.1250  4.890820E-01  2.138895E+00
    5.1750  5.005038E-01  2.221242E+00
    5.2250  5.017127E-01  2.305390E+00
    5.2750  5.111241E-01  2.392766E+00
    5.3250  5.130258E-01  2.482137E+00
    5.3750  5.219319E-01  2.574775E+00
    5.4250  5.300142E-01  2.670606E+00
    5.4750  5.294801E-01  2.768114E+00
    5.5250  5.253822E-01  2.866642E+00
    5.5750  5.428741E-01  2.970301E+00
    5.6250  5.479021E-01  3.076805E+00
    5.6750  5.495573E-01  3.185539E+00
    5.7250  5.516942E-01  3.296627E+00
    5.7750  5.546212E-01  3.410264E+00
    5.8250  5.587070E-01  3.526729E+00
    5.8750  5.649939E-01  3.646535E+00
    5.9250  5.580627E-01  3.766894E+00
    5.9750  5.723396E-01  3.892424E+00
    6.0250  5.701148E-01  4.019568E+00
    6.0750  5.695953E-01  4.148713E+00
    6.1250  5.735190E-01  4.280897E+00
    6.1750  5.841049E-01  4.417727E+00
    6.2250  5.905660E-01  4.558321E+00
    6.2750  5.897006E-01  4.700973E+00
    6.3250  5.925467E-01  4.846606E+00
    6.3750  5.892941E-01  4.993740E+00
    6.4250  6.017852E-01  5.146358E+00
    6.4750  6.023111E-01  5.301496E+00
    6.5250  6.041889E-01  5.459531E+00
    6.5750  6.097614E-01  5.621476E+00
    6.6250  6.150552E-01  5.787322E+00
    6.6750  6.152901E-01  5.955745E+00
    6.7250  6.159016E-01  6.126870E+00
    6.7750  6.207144E-01  6.301907E+00
    6.8250  6.272333E-01  6.481402E+00
    6.8750  6.192819E-01  6.661227E+00
    6.9250  6.332847E-01  6.847804E+00
    6.9750  6.290259E-01  7.035811E+00
    7.0250  6.372165E-01  7.229007E+00
    7.0750  6.352686E-01  7.424364E+00
    7.1250  6.431659E-01  7.624954E+00
    7.1750  6.371176E-01  7.826457E+00
    7.2250  6.400993E-01  8.031735E+00
    7.2750  6.402212E-01  8.239903E+00
    7.3250  6.489976E-01  8.453835E+00
    7.3750  6.524614E-01  8.671855E+00
    7.4250  6.572380E-01  8.894459E+00
    7.4750  6.616959E-01  9.121602E+00
    7.5250  6.706159E-01  9.354896E+00
    7.5750  6.672426E-01  9.590112E+00
    7.6250  6.751851E-01  9.831281E+00
    7.6750  6.732385E-01  1.007492E+01
    7.7250  6.761998E-01  1.032283E+01
    7.7750  6.800121E-01  1.057537E+01
    7.8250  6.811560E-01  1.083160E+01
    7.8750  6.816774E-01  1.109132E+01
    7.9250  6.879091E-01  1.135674E+01
    7.9750  6.934645E-01  1.162770E+01
    8.0250  6.966236E-01  1.190332E+01
    8.0750  7.061416E-01  1.218619E+01
    8.1250  7.086114E-01  1.247358E+01
    8.1750  7.173144E-01  1.276810E+01
    8.2250  7.139150E-01  1.306481E+01
    8.2750  7.260499E-01  1.337024E+01
    8.3250  7.332496E-01  1.368245E+01
    8.3750  7.341397E-01  1.399880E+01
    8.4250  7.300933E-01  1.431717E+01
    8.4750  7.325127E-01  1.464040E+01
    8.5250  7.432533E-01  1.497225E+01
    8.5750  7.450740E-01  1.530883E+01
    8.6250  7.487363E-01  1.565102E+01
    8.6750  7.499095E-01  1.599773E+01
    8.7250  7.555784E-01  1.635109E+01
    8.7750  7.591293E-01  1.671020E+01
    8.8250  7.605614E-01  1.707410E+01
    8.8750  7.685702E-01  1.744601E+01
    8.9250  7.690006E-01  1.782234E+01
    8.9750  7.736022E-01  1.820516E+01
    9.0250  7.772116E-01  1.859407E+01
    9.0750  7.814047E-01  1.898943E+01
    9.1250  7.865741E-01  1.939180E+01
    9.1750  7.900522E-01  1.980038E+01
    9.2250  7.937470E-01  2.021537E+01
    9.2750  8.045121E-01  2.064055E+01
    9.3250  7.984799E-01  2.106711E+01
    9.3750  8.030050E-01  2.150070E+01
    9.4250  8.061879E-01  2.194066E+01
    9.4750  7.989837E-01  2.238133E+01
    9.5250  8.081401E-01  2.283177E+01
    9.5750  8.065650E-01  2.328606E+01
    9.6250  8.156278E-01  2.375027E+01
    9.6750  8.208419E-01  2.422231E+01
    9.7250  8.209013E-01  2.469927E+01
    9.7750  8.250736E-01  2.518361E+01
    9.8250  8.330413E-01  2.567763E+01
    9.8750  8.377507E-01  2.617952E+01
    9.9250  8.392989E-01  2.668744E+01
    9.9750  8.427888E-01  2.720262E+01
   10.0250  8.413101E-01  2.772207E+01
   10.0750  8.449941E-01  2.824901E+01
   10.1250  8.479308E-01  2.878304E+01
   10.1750  8.588906E-01  2.932933E+01
   10.2250  8.473156E-01  2.987357E+01
   10.2750  8.552110E-01  3.042826E+01
   10.3250  8.535295E-01  3.098727E+01
   10.3750  8.610400E-01  3.155667E+01
   10.4250  8.662327E-01  3.213503E+01
   10.4750  8.683186E-01  3.272037E+01
   10.5250  8.679214E-01  3.331103E+01
   10.5750  8.682397E-01  3.390754E+01
   10.6250  8.707826E-01  3.451147E+01
   10.6750  8.768639E-01  3.512535E+01
   10.7250  8.739756E-01  3.574296E+01
   10.7750  8.902956E-01  3.637798E+01
   10.8250  8.831989E-01  3.701379E+01
   10.8750  8.914969E-01  3.766152E+01
   10.9250  8.921418E-01  3.831570E+01
   10.9750  8.992639E-01  3.898115E+01
   11.0250  8.977379E-01  3.965153E+01
   11.0750  9.034663E-01  4.033232E+01
   11.1250  9.071737E-01  4.102210E+01
   11.1750  9.130304E-01  4.172258E+01
   11.2250  9.120738E-01  4.242861E+01
   11.2750  9.137118E-01  4.314221E+01
   11.3250  9.145401E-01  4.386282E+01
   11.3750  9.212860E-01  4.459516E+01
   11.4250  9.256537E-01  4.533746E+01
   11.4750  9.265909E-01  4.608702E+01
   11.5250  9.300691E-01  4.684597E+01
   11.5750  9.302942E-01  4.761171E+01
   11.6250  9.283384E-01  4.838245E+01
   11.6750  9.316109E-01  4.916258E+01
   11.7250  9.336126E-01  4.995109E+01
   11.7750  9.364638E-01  5.074877E+01
   11.8250  9.397047E-01  5.155603E+01
   11.8750  9.381326E-01  5.236876E+01
   11.9250  9.424078E-01  5.319209E+01
   11.9750  9.444303E-01  5.402412E+01
   12.0250  9.484726E-01  5.486670E+01
   12.0750  9.516327E-01  5.571913E+01
   12.1250  9.509211E-01  5.657800E+01
   12.1750  9.528749E-01  5.744574E+01
   12.2250  9.623968E-01  5.832937E+01
   12.2750  9.650617E-01  5.922270E+01
   12.3250  9.619090E-01  6.012039E+01
   12.3750  9.681567E-01  6.103125E+01
   12.4250  9.676422E-01  6.194900E+01
   12.4750  9.773261E-01  6.288341E+01
   12.5250  9.736384E-01  6.382177E+01
   12.5750  9.755185E-01  6.476946E+01
   12.6250  9.730181E-01  6.572226E+01
   12.6750  9.748823E-01  6.668446E+01
   12.7250  9.799771E-01  6.765933E+01
   12.7750  9.850533E-01  6.864697E+01
   12.8250  9.831653E-01  6.964045E+01
   12.8750  9.897419E-01  7.064839E+01
   12.9250  9.936432E-01  7.166817E+01
   12.9750  9.933427E-01  7.269555E+01
   13.0250  9.931433E-01  7.373065E+01
   13.0750  9.992910E-01  7.478018E+01
   13.1250  9.988140E-01  7.583724E+01
   13.1750  1.003020E+00  7.690685E+01
   13.2250  1.003707E+00  7.798534E+01
   13.2750  1.002101E+00  7.907026E+01
   13.3250  1.007802E+00  8.016959E+01
   13.3750  1.008328E+00  8.127775E+01
   13.4250  1.016928E+00  8.240375E+01
   13.4750  1.014286E+00  8.353520E+01
   13.5250  1.022102E+00  8.468384E+01
   13.5750  1.020962E+00  8.583970E+01
   13.6250  1.028460E+00  8.701265E+01
   13.6750  1.029941E+00  8.819592E+01
   13.7250  1.025741E+00  8.938299E+01
   13.7750  1.030184E+00  9.058391E+01
   13.8250  1.030136E+00  9.179351E+01
   13.8750  1.031923E+00  9.301399E+01
   13.9250  1.029245E+00  9.424009E+01
   13.9750  1.033844E+00  9.548053E+01

g(r)  :HC      HW      

        r      g(r)         n(r)

    1.3750  0.000000E+00  0.000000E+00
    1.4250  0.000000E+00  0.000000E+00
    1.4750  2.132644E-04  5.701514E-06
    1.5250  5.985311E-04  2.280606E-05
    1.5750  1.309316E-03  6.271666E-05
    1.6250  2.284265E-03  1.368363E-04
    1.6750  3.969113E-03  2.736727E-04
    1.7250  4.054234E-03  4.219121E-04
    1.7750  6.921759E-03  6.898832E-04
    1.8250  8.219457E-03  1.026273E-03
    1.8750  1.240634E-02  1.562215E-03
    1.9250  1.439978E-02  2.217889E-03
    1.9750  2.272061E-02  3.306878E-03
    2.0250  2.693078E-02  4.663839E-03
    2.0750  3.556319E-02  6.545338E-03
    2.1250  4.459600E-02  9.019796E-03
    2.1750  5.845917E-02  1.241790E-02
    2.2250  6.842087E-02  1.658000E-02
    2.2750  7.826688E-02  2.155743E-02
    2.3250  9.596728E-02  2.793172E-02
    2.3750  1.108073E-01  3.561166E-02
    2.4250  1.275107E-01  4.482531E-02
    2.4750  1.413483E-01  5.546433E-02
    2.5250  1.596047E-01  6.796775E-02
    2.5750  1.782399E-01  8.248951E-02
    2.6250  1.903025E-01  9.860199E-02
    2.6750  2.045894E-01  1.165903E-01
    2.7250  2.223959E-01  1.368820E-01
    2.7750  2.367491E-01  1.592832E-01
    2.8250  2.575725E-01  1.845409E-01
    2.8750  2.634559E-01  2.112981E-01
    2.9250  2.754066E-01  2.402504E-01
    2.9750  2.868313E-01  2.714434E-01
    3.0250  3.061291E-01  3.058634E-01
    3.0750  3.072472E-01  3.415606E-01
    3.1250  3.214419E-01  3.801314E-01
    3.1750  3.334924E-01  4.214388E-01
    3.2250  3.440223E-01  4.654032E-01
    3.2750  3.472692E-01  5.111693E-01
    3.3250  3.600299E-01  5.600769E-01
    3.3750  3.652883E-01  6.112023E-01
    3.4250  3.783160E-01  6.657316E-01
    3.4750  3.775754E-01  7.217547E-01
    3.5250  3.953962E-01  7.821223E-01
    3.5750  4.048542E-01  8.456999E-01
    3.6250  4.009667E-01  9.104406E-01
    3.6750  4.165857E-01  9.795715E-01
    3.7250  4.254086E-01  1.052100E+00
    3.7750  4.240152E-01  1.126346E+00
    3.8250  4.350766E-01  1.204559E+00
    3.8750  4.377040E-01  1.285315E+00
    3.9250  4.396053E-01  1.368529E+00
    3.9750  4.532549E-01  1.456526E+00
    4.0250  4.461026E-01  1.545327E+00
    4.0750  4.544199E-01  1.638045E+00
    4.1250  4.508335E-01  1.732302E+00
    4.1750  4.526651E-01  1.829251E+00
    4.2250  4.614847E-01  1.930470E+00
    4.2750  4.625087E-01  2.034329E+00
    4.3250  4.679762E-01  2.141888E+00
    4.3750  4.654137E-01  2.251346E+00
    4.4250  4.715204E-01  2.364789E+00
    4.4750  4.688514E-01  2.480153E+00
    4.5250  4.742976E-01  2.599480E+00
    4.5750  4.775993E-01  2.722308E+00
    4.6250  4.809302E-01  2.848710E+00
    4.6750  4.803158E-01  2.977696E+00
    4.7250  4.811784E-01  3.109691E+00
    4.7750  4.922789E-01  3.247605E+00
    4.8250  4.902016E-01  3.387828E+00
    4.8750  4.900774E-01  3.530936E+00
    4.9250  4.963999E-01  3.678879E+00
    4.9750  4.964650E-01  3.829861E+00
    5.0250  5.007844E-01  3.985233E+00
    5.0750  5.035408E-01  4.144585E+00
    5.1250  5.059006E-01  4.307853E+00
    5.1750  5.145385E-01  4.477165E+00
    5.2250  5.095142E-01  4.648080E+00
    5.2750  5.122414E-01  4.823213E+00
    5.3250  5.157586E-01  5.002908E+00
    5.3750  5.143028E-01  5.185476E+00
    5.4250  5.208853E-01  5.373837E+00
    5.4750  5.243872E-01  5.566976E+00
    5.5250  5.291673E-01  5.765451E+00
    5.5750  5.323487E-01  5.968750E+00
    5.6250  5.348059E-01  6.176667E+00
    5.6750  5.438949E-01  6.391894E+00
    5.7250  5.429589E-01  6.610552E+00
    5.7750  5.470939E-01  6.834742E+00
    5.8250  5.557667E-01  7.066445E+00
    5.8750  5.584870E-01  7.303298E+00
    5.9250  5.620677E-01  7.545743E+00
    5.9750  5.679724E-01  7.794888E+00
    6.0250  5.715592E-01  8.049820E+00
    6.0750  5.763472E-01  8.311172E+00
    6.1250  5.774770E-01  8.577364E+00
    6.1750  5.801986E-01  8.849195E+00
    6.2250  5.854888E-01  9.127965E+00
    6.2750  5.880272E-01  9.412459E+00
    6.3250  5.894962E-01  9.702227E+00
    6.3750  5.924911E-01  9.998090E+00
    6.4250  5.982893E-01  1.030155E+01
    6.4750  6.023886E-01  1.061187E+01
    6.5250  6.043197E-01  1.092801E+01
    6.5750  6.069492E-01  1.125040E+01
    6.6250  6.118623E-01  1.158037E+01
    6.6750  6.059691E-01  1.191212E+01
    6.7250  6.099712E-01  1.225107E+01
    6.7750  6.111813E-01  1.259577E+01
    6.8250  6.192439E-01  1.295019E+01
    6.8750  6.234936E-01  1.331228E+01
    6.9250  6.251277E-01  1.368063E+01
    6.9750  6.285395E-01  1.405635E+01
    7.0250  6.301269E-01  1.443845E+01
    7.0750  6.356023E-01  1.482937E+01
    7.1250  6.351771E-01  1.522556E+01
    7.1750  6.370545E-01  1.562853E+01
    7.2250  6.407215E-01  1.603948E+01
    7.2750  6.488923E-01  1.646146E+01
    7.3250  6.580523E-01  1.689529E+01
    7.3750  6.554048E-01  1.733330E+01
    7.4250  6.589634E-01  1.777968E+01
    7.4750  6.611229E-01  1.823357E+01
    7.5250  6.654942E-01  1.869659E+01
    7.5750  6.710677E-01  1.916972E+01
    7.6250  6.745227E-01  1.965159E+01
    7.6750  6.772560E-01  2.014177E+01
    7.7250  6.826693E-01  2.064233E+01
    7.7750  6.811789E-01  2.114828E+01
    7.8250  6.871581E-01  2.166526E+01
    7.8750  6.903271E-01  2.219128E+01
    7.9250  6.920909E-01  2.272536E+01
    7.9750  6.941649E-01  2.326783E+01
    8.0250  6.980214E-01  2.382017E+01
    8.0750  7.041135E-01  2.438429E+01
    8.1250  7.062075E-01  2.495712E+01
    8.1750  7.099197E-01  2.554008E+01
    8.2250  7.179756E-01  2.613688E+01
    8.2750  7.208658E-01  2.674339E+01
    8.3250  7.232400E-01  2.735927E+01
    8.3750  7.219536E-01  2.798146E+01
    8.4250  7.320218E-01  2.861989E+01
    8.4750  7.321703E-01  2.926605E+01
    8.5250  7.327118E-01  2.992034E+01
    8.5750  7.403094E-01  3.058919E+01
    8.6250  7.452182E-01  3.127035E+01
    8.6750  7.468697E-01  3.196096E+01
    8.7250  7.514639E-01  3.266384E+01
    8.7750  7.560378E-01  3.337914E+01
    8.8250  7.572010E-01  3.410372E+01
    8.8750  7.660546E-01  3.484511E+01
    8.9250  7.683132E-01  3.559708E+01
    8.9750  7.706066E-01  3.635977E+01
    9.0250  7.747049E-01  3.713509E+01
    9.0750  7.804243E-01  3.792480E+01
    9.1250  7.797919E-01  3.872260E+01
    9.1750  7.849754E-01  3.953452E+01
    9.2250  7.919858E-01  4.036265E+01
    9.2750  7.918415E-01  4.119963E+01
    9.3250  7.880793E-01  4.204163E+01
    9.3750  7.979471E-01  4.290335E+01
    9.4250  8.013560E-01  4.377800E+01
    9.4750  8.043798E-01  4.466529E+01
    9.5250  8.107281E-01  4.556905E+01
    9.5750  8.113985E-01  4.648308E+01
    9.6250  8.169952E-01  4.741305E+01
    9.6750  8.175651E-01  4.835336E+01
    9.7250  8.224223E-01  4.930906E+01
    9.7750  8.255544E-01  5.027829E+01
    9.8250  8.310319E-01  5.126395E+01
    9.8750  8.288761E-01  5.225709E+01
    9.9250  8.336037E-01  5.326604E+01
    9.9750  8.311019E-01  5.428212E+01
   10.0250  8.422474E-01  5.532217E+01
   10.0750  8.383838E-01  5.636780E+01
   10.1250  8.410869E-01  5.742725E+01
   10.1750  8.456058E-01  5.850293E+01
   10.2250  8.482210E-01  5.959257E+01
   10.2750  8.494225E-01  6.069445E+01
   10.3250  8.559365E-01  6.181561E+01
   10.3750  8.541253E-01  6.294527E+01
   10.4250  8.574629E-01  6.409029E+01
   10.4750  8.624572E-01  6.525306E+01
   10.5250  8.679968E-01  6.643449E+01
   10.5750  8.712148E-01  6.763160E+01
   10.6250  8.727473E-01  6.884218E+01
   10.6750  8.732927E-01  7.006494E+01
   10.7250  8.776144E-01  7.130529E+01
   10.7750  8.779216E-01  7.255768E+01
   10.8250  8.842206E-01  7.383078E+01
   10.8750  8.920815E-01  7.512709E+01
   10.9250  8.869594E-01  7.642784E+01
   10.9750  8.898448E-01  7.774479E+01
   11.0250  8.935157E-01  7.907926E+01
   11.0750  8.955179E-01  8.042887E+01
   11.1250  9.016773E-01  8.180006E+01
   11.1750  9.020689E-01  8.318420E+01
   11.2250  9.059936E-01  8.458684E+01
   11.2750  9.073095E-01  8.600405E+01
   11.3250  9.110777E-01  8.743980E+01
   11.3750  9.146694E-01  8.889397E+01
   11.4250  9.139047E-01  9.035972E+01
   11.4750  9.169386E-01  9.184324E+01
   11.5250  9.221423E-01  9.334820E+01
   11.5750  9.244445E-01  9.487005E+01
   11.6250  9.272636E-01  9.640975E+01
   11.6750  9.301607E-01  9.796757E+01
   11.7250  9.307638E-01  9.953979E+01
   11.7750  9.333480E-01  1.011298E+02
   11.8250  9.377501E-01  1.027410E+02
   11.8750  9.417194E-01  1.043727E+02
   11.9250  9.444080E-01  1.060228E+02
   11.9750  9.464333E-01  1.076904E+02
   12.0250  9.508793E-01  1.093798E+02
   12.0750  9.519192E-01  1.110852E+02
   12.1250  9.530074E-01  1.128067E+02
   12.1750  9.539016E-01  1.145441E+02
   12.2250  9.575159E-01  1.163024E+02
   12.2750  9.576582E-01  1.180753E+02
   12.3250  9.598318E-01  1.198668E+02
   12.3750  9.629086E-01  1.216787E+02
   12.4250  9.640353E-01  1.235073E+02
   12.4750  9.676893E-01  1.253577E+02
   12.5250  9.677343E-01  1.272231E+02
   12.5750  9.707207E-01  1.291091E+02
   12.6250  9.734373E-01  1.310156E+02
   12.6750  9.744549E-01  1.329391E+02
   12.7250  9.776387E-01  1.348842E+02
   12.7750  9.800917E-01  1.368495E+02
   12.8250  9.847790E-01  1.388397E+02
   12.8750  9.827605E-01  1.408414E+02
   12.9250  9.880545E-01  1.428695E+02
   12.9750  9.902556E-01  1.449179E+02
   13.0250  9.929299E-01  1.469876E+02
   13.0750  9.949264E-01  1.490775E+02
   13.1250  1.000118E+00  1.511944E+02
   13.1750  1.002657E+00  1.533328E+02
   13.2250  1.007182E+00  1.554973E+02
   13.2750  1.005405E+00  1.576743E+02
   13.3250  1.006459E+00  1.598700E+02
   13.3750  1.011324E+00  1.620929E+02
   13.4250  1.012443E+00  1.643350E+02
   13.4750  1.015848E+00  1.666014E+02
   13.5250  1.017764E+00  1.688889E+02
   13.5750  1.018789E+00  1.711957E+02
   13.6250  1.019082E+00  1.735202E+02
   13.6750  1.020080E+00  1.758641E+02
   13.7250  1.023281E+00  1.782325E+02
   13.7750  1.027027E+00  1.806270E+02
   13.8250  1.026550E+00  1.830378E+02
   13.8750  1.027640E+00  1.854686E+02
   13.9250  1.030118E+00  1.879229E+02
   13.9750  1.031782E+00  1.903988E+02

g(r)  :N       N       

        r      g(r)         n(r)

    2.9750  0.000000E+00  0.000000E+00
    3.0250  0.000000E+00  0.000000E+00
    3.0750  1.800004E-01  1.596424E-04
    3.1250  3.485732E-01  4.789272E-04
    3.1750  6.753625E-01  1.117497E-03
    3.2250  1.145522E+00  2.234994E-03
    3.2750  2.221623E+00  4.469987E-03
    3.3250  2.155311E+00  6.704981E-03
    3.3750  1.793078E+00  8.620690E-03
    3.4250  7.254617E-01  9.418902E-03
    3.4750  3.100837E+00  1.293103E-02
    3.5250  2.054656E+00  1.532567E-02
    3.5750  2.397103E+00  1.819923E-02
    3.6250  2.072385E+00  2.075351E-02
    3.6750  3.276614E+00  2.490421E-02
    3.7250  2.821254E+00  2.857599E-02
    3.7750  4.657981E+00  3.480204E-02
    3.8250  5.933002E+00  4.294381E-02
    3.8750  5.214129E+00  5.028736E-02
    3.9250  6.297425E+00  5.938697E-02
    3.9750  8.940699E+00  7.263729E-02
    4.0250  1.166162E+01  9.035760E-02
    4.0750  1.547710E+01  1.144636E-01
    4.1250  1.510418E+01  1.385696E-01
    4.1750  1.972453E+01  1.708174E-01
    4.2250  1.802091E+01  2.009898E-01
    4.2750  2.402790E+01  2.421775E-01
    4.3250  2.775212E+01  2.908685E-01
    4.3750  3.094509E+01  3.464240E-01
    4.4250  3.242284E+01  4.059706E-01
    4.4750  3.442213E+01  4.706258E-01
    4.5250  3.491251E+01  5.376756E-01
    4.5750  3.439753E+01  6.052043E-01
    4.6250  3.015677E+01  6.657088E-01
    4.6750  3.006030E+01  7.273308E-01
    4.7250  2.912253E+01  7.883142E-01
    4.7750  2.911302E+01  8.505747E-01
    4.8250  2.895143E+01  9.137931E-01
    4.8750  3.222796E+01  9.856322E-01
    4.9250  2.933144E+01  1.052363E+00
    4.9750  3.479638E+01  1.133142E+00
    5.0250  3.572511E+01  1.217752E+00
    5.0750  3.555331E+01  1.303640E+00
    5.1250  3.739022E+01  1.395754E+00
    5.1750  3.597209E+01  1.486111E+00
    5.2250  3.503755E+01  1.575830E+00
    5.2750  3.535518E+01  1.668103E+00
    5.3250  2.539050E+01  1.735632E+00
    5.3750  2.497924E+01  1.803321E+00
    5.4250  2.116664E+01  1.861750E+00
    5.4750  2.265557E+01  1.925447E+00
    5.5250  1.717341E+01  1.974617E+00
    5.5750  1.725009E+01  2.024904E+00
    5.6250  1.339445E+01  2.064655E+00
    5.6750  1.257812E+01  2.102650E+00
    5.7250  1.137270E+01  2.137612E+00
    5.7750  1.036007E+01  2.170019E+00
    5.8250  9.229893E+00  2.199393E+00
    5.8750  8.974833E+00  2.228448E+00
    5.9250  8.242197E+00  2.255587E+00
    5.9750  7.055970E+00  2.279215E+00
    6.0250  7.923982E+00  2.306194E+00
    6.0750  6.226043E+00  2.327746E+00
    6.1250  6.714605E+00  2.351373E+00
    6.1750  5.401103E+00  2.370690E+00
    6.2250  5.885686E+00  2.392082E+00
    6.2750  4.711618E+00  2.409483E+00
    6.3250  5.020328E+00  2.428321E+00
    6.3750  4.732485E+00  2.446360E+00
    6.4250  4.700345E+00  2.464559E+00
    6.4750  5.074598E+00  2.484515E+00
    6.5250  3.637907E+00  2.499042E+00
    6.5750  3.897759E+00  2.514847E+00
    6.6250  4.731070E+00  2.534323E+00
    6.6750  3.781847E+00  2.550128E+00
    6.7250  4.516147E+00  2.569285E+00
    6.7750  4.894707E+00  2.590358E+00
    6.8250  6.357924E+00  2.618135E+00
    6.8750  6.193762E+00  2.645594E+00
    6.9250  5.998168E+00  2.672573E+00
    6.9750  7.836662E+00  2.708333E+00
    7.0250  5.897596E+00  2.735632E+00
    7.0750  6.120560E+00  2.764368E+00
    7.1250  6.001432E+00  2.792944E+00
    7.1750  6.116451E+00  2.822478E+00
    7.2250  7.042870E+00  2.856960E+00
    7.2750  7.879012E+00  2.896073E+00
    7.3250  6.851887E+00  2.930556E+00
    7.3750  6.227313E+00  2.962324E+00
    7.4250  6.236346E+00  2.994572E+00
    7.4750  6.153196E+00  3.026820E+00
    7.5250  5.921408E+00  3.058269E+00
    7.5750  6.644381E+00  3.094029E+00
    7.6250  7.113747E+00  3.132822E+00
    7.6750  7.281412E+00  3.173052E+00
    7.7250  7.786415E+00  3.216635E+00
    7.7750  8.193398E+00  3.263091E+00
    7.8250  8.422593E+00  3.311462E+00
    7.8750  9.084453E+00  3.364304E+00
    7.9250  8.157177E+00  3.412356E+00
    7.9750  8.563682E+00  3.463442E+00
    8.0250  9.329462E+00  3.519796E+00
    8.0750  8.718332E+00  3.573116E+00
    8.1250  7.425364E+00  3.619093E+00
    8.1750  7.971514E+00  3.669061E+00
    8.2250  6.969153E+00  3.713282E+00
    8.2750  6.338350E+00  3.753991E+00
    8.3250  6.065974E+00  3.793423E+00
    8.3750  6.212157E+00  3.834291E+00
    8.4250  5.347332E+00  3.869891E+00
    8.4750  4.905271E+00  3.902937E+00
    8.5250  5.503655E+00  3.940453E+00
    8.5750  5.370217E+00  3.977490E+00
    8.6250  4.781897E+00  4.010856E+00
    8.6750  5.314973E+00  4.048372E+00
    8.7250  4.315177E+00  4.079183E+00
    8.7750  4.310350E+00  4.110313E+00
    8.8250  4.458338E+00  4.142880E+00
    8.8750  4.516290E+00  4.176245E+00
    8.9250  3.653860E+00  4.203544E+00
    8.9750  3.909084E+00  4.233078E+00
    9.0250  3.761407E+00  4.261814E+00
    9.0750  3.389400E+00  4.287995E+00
    9.1250  3.188828E+00  4.312899E+00
    9.1750  2.891320E+00  4.335728E+00
    9.2250  3.180070E+00  4.361111E+00
    9.2750  2.710598E+00  4.382982E+00
    9.3250  2.525017E+00  4.403576E+00
    9.3750  2.788639E+00  4.426564E+00
    9.4250  3.104021E+00  4.452427E+00
    9.4750  3.147183E+00  4.478927E+00
    9.5250  2.663979E+00  4.501596E+00
    9.5750  3.304569E+00  4.530013E+00
    9.6250  3.435679E+00  4.559866E+00
    9.6750  2.836580E+00  4.584770E+00
    9.7250  2.897471E+00  4.610473E+00
    9.7750  3.206353E+00  4.639208E+00
    9.8250  3.209066E+00  4.668263E+00
    9.8750  2.879932E+00  4.694604E+00
    9.9250  2.626365E+00  4.718870E+00
    9.9750  2.069817E+00  4.738186E+00
   10.0250  2.371001E+00  4.760536E+00
   10.0750  1.894789E+00  4.778576E+00
   10.1250  1.892724E+00  4.796775E+00
   10.1750  1.676887E+00  4.813059E+00
   10.2250  1.269815E+00  4.825511E+00
   10.2750  1.080149E+00  4.836207E+00
   10.3250  1.309201E+00  4.849298E+00
   10.3750  1.122677E+00  4.860632E+00
   10.4250  1.143255E+00  4.872286E+00
   10.4750  9.152010E-01  4.881705E+00
   10.5250  6.914183E-01  4.888889E+00
   10.5750  7.457751E-01  4.896711E+00
   10.6250  6.633876E-01  4.903736E+00
   10.6750  6.273156E-01  4.910441E+00
   10.7250  4.587115E-01  4.915390E+00
   10.7750  3.665034E-01  4.919381E+00
   10.8250  3.631255E-01  4.923372E+00
   10.8750  3.885777E-01  4.927682E+00
   10.9250  3.707687E-01  4.931833E+00
   10.9750  5.087051E-01  4.937580E+00
   11.0250  5.181042E-01  4.943487E+00
   11.0750  4.856833E-01  4.949074E+00
   11.1250  3.713098E-01  4.953384E+00
   11.1750  5.042888E-01  4.959291E+00
   11.2250  4.727897E-01  4.964879E+00
   11.2750  3.481071E-01  4.969029E+00
   11.3250  3.317693E-01  4.973020E+00
   11.3750  2.893960E-01  4.976533E+00
   11.4250  2.477501E-01  4.979566E+00
   11.4750  2.197436E-01  4.982280E+00
   11.5250  1.537702E-01  4.984195E+00
   11.5750  2.286668E-01  4.987069E+00
   11.6250  7.556802E-02  4.988027E+00
   11.6750  1.373573E-01  4.989783E+00
   11.7250  1.114268E-01  4.991220E+00
   11.7750  1.104825E-01  4.992656E+00
   11.8250  8.520566E-02  4.993774E+00
   11.8750  1.086296E-01  4.995211E+00
   11.9250  3.590684E-02  4.995690E+00
   11.9750  9.495365E-02  4.996967E+00
   12.0250  1.177071E-02  4.997126E+00
   12.0750  2.334686E-02  4.997446E+00
   12.1250  2.315470E-02  4.997765E+00
   12.1750  2.296491E-02  4.998084E+00
   12.2250  4.555489E-02  4.998723E+00
   12.2750  4.518453E-02  4.999361E+00
   12.3250  2.240933E-02  4.999681E+00
   12.3750  2.222861E-02  5.000000E+00
   12.4250  0.000000E+00  5.000000E+00
   12.4750  0.000000E+00  5.000000E+00
   12.5250  0.000000E+00  5.000000E+00
   12.5750  0.000000E+00  5.000000E+00
   12.6250  0.000000E+00  5.000000E+00
   12.6750  0.000000E+00  5.000000E+00
   12.7250  0.000000E+00  5.000000E+00
   12.7750  0.000000E+00  5.000000E+00
   12.8250  0.000000E+00  5.000000E+00
   12.8750  0.000000E+00  5.000000E+00
   12.9250  0.000000E+00  5.000000E+00
   12.9750  0.000000E+00  5.000000E+00
   13.0250  0.000000E+00  5.000000E+00
   13.0750  0.000000E+00  5.000000E+00
   13.1250  0.000000E+00  5.000000E+00
   13.1750  0.000000E+00  5.000000E+00
   13.2250  0.000000E+00  5.000000E+00
   13.2750  0.000000E+00  5.000000E+00
   13.3250  0.000000E+00  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :N       OS      

        r      g(r)         n(r)

    3.4750  0.000000E+00  0.000000E+00
    3.5250  0.000000E+00  0.000000E+00
    3.5750  1.997586E-01  2.394636E-04
    3.6250  0.000000E+00  2.394636E-04
    3.6750  1.260236E-01  3.991060E-04
    3.7250  1.226632E-01  5.587484E-04
    3.7750  4.777416E-01  1.197318E-03
    3.8250  5.816668E-01  1.995530E-03
    3.8750  6.234284E-01  2.873563E-03
    3.9250  3.314434E-01  3.352490E-03
    3.9750  1.131052E+00  5.028736E-03
    4.0250  7.879475E-01  6.226054E-03
    4.0750  8.199789E-01  7.503193E-03
    4.1250  1.050291E+00  9.179438E-03
    4.1750  1.074108E+00  1.093550E-02
    4.2250  9.058128E-01  1.245211E-02
    4.2750  1.164143E+00  1.444764E-02
    4.3250  9.554008E-01  1.612388E-02
    4.3750  1.111533E+00  1.811941E-02
    4.4250  1.173481E+00  2.027458E-02
    4.4750  1.232397E+00  2.258940E-02
    4.5250  1.330000E+00  2.514368E-02
    4.5750  1.097793E+00  2.729885E-02
    4.6250  1.790310E+00  3.089080E-02
    4.6750  1.907972E+00  3.480204E-02
    4.7250  3.354427E+00  4.182631E-02
    4.7750  3.769763E+00  4.988825E-02
    4.8250  4.021032E+00  5.866858E-02
    4.8750  6.373975E+00  7.287676E-02
    4.9250  7.999485E+00  9.107599E-02
    4.9750  8.905397E+00  1.117497E-01
    5.0250  1.041421E+01  1.364144E-01
    5.0750  1.096998E+01  1.629151E-01
    5.1250  1.321942E+01  1.954821E-01
    5.1750  1.242499E+01  2.266922E-01
    5.2250  1.368460E+01  2.617337E-01
    5.2750  1.382400E+01  2.978129E-01
    5.3250  1.479612E+01  3.371648E-01
    5.3750  1.413919E+01  3.754789E-01
    5.4250  1.359060E+01  4.129949E-01
    5.4750  1.223628E+01  4.473978E-01
    5.5250  1.391158E+01  4.872286E-01
    5.5750  1.308816E+01  5.253831E-01
    5.6250  1.221100E+01  5.616220E-01
    5.6750  1.210248E+01  5.981801E-01
    5.7250  1.199587E+01  6.350575E-01
    5.7750  1.125318E+01  6.702586E-01
    5.8250  1.113607E+01  7.056992E-01
    5.8750  1.015833E+01  7.385856E-01
    5.9250  1.066637E+01  7.737069E-01
    5.9750  1.065547E+01  8.093870E-01
    6.0250  1.099511E+01  8.468231E-01
    6.0750  1.030756E+01  8.825032E-01
    6.1250  9.436742E+00  9.157088E-01
    6.1750  1.013265E+01  9.519476E-01
    6.2250  9.311683E+00  9.857918E-01
    6.2750  9.380011E+00  1.020434E+00
    6.3250  8.743028E+00  1.053241E+00
    6.3750  8.815823E+00  1.086845E+00
    6.4250  8.761608E+00  1.120769E+00
    6.4750  9.662035E+00  1.158764E+00
    6.5250  8.595055E+00  1.193087E+00
    6.5750  8.563258E+00  1.227810E+00
    6.6250  9.830543E+00  1.268279E+00
    6.6750  8.461406E+00  1.303640E+00
    6.7250  9.107562E+00  1.342273E+00
    6.7750  9.529847E+00  1.383301E+00
    6.8250  1.066962E+01  1.429917E+00
    6.8750  1.078507E+01  1.477730E+00
    6.9250  1.016849E+01  1.523467E+00
    6.9750  1.056550E+01  1.571679E+00
    7.0250  9.915548E+00  1.617577E+00
    7.0750  1.042195E+01  1.666507E+00
    7.1250  1.039354E+01  1.715996E+00
    7.1750  9.984694E+00  1.764208E+00
    7.2250  9.846976E+00  1.812420E+00
    7.2750  9.937202E+00  1.861750E+00
    7.3250  9.770283E+00  1.910920E+00
    7.3750  9.966831E+00  1.961766E+00
    7.4250  8.613566E+00  2.006306E+00
    7.4750  9.458254E+00  2.055875E+00
    7.5250  9.513328E+00  2.106402E+00
    7.5750  9.017374E+00  2.154933E+00
    7.6250  8.592118E+00  2.201788E+00
    7.6750  8.061563E+00  2.246328E+00
    7.7250  8.413891E+00  2.293423E+00
    7.7750  7.855526E+00  2.337963E+00
    7.8250  7.296801E+00  2.379869E+00
    7.8750  7.533783E+00  2.423691E+00
    7.9250  6.693763E+00  2.463123E+00
    7.9750  7.252368E+00  2.506386E+00
    8.0250  6.012613E+00  2.542704E+00
    8.0750  5.951436E+00  2.579103E+00
    8.1250  5.594805E+00  2.613745E+00
    8.1750  5.895864E+00  2.650702E+00
    8.2250  5.585386E+00  2.686143E+00
    8.2750  5.418668E+00  2.720945E+00
    8.3250  5.427450E+00  2.756226E+00
    8.3750  4.683384E+00  2.787037E+00
    8.4250  4.472096E+00  2.816810E+00
    8.4750  4.372090E+00  2.846264E+00
    8.5250  3.442712E+00  2.869732E+00
    8.5750  3.448976E+00  2.893519E+00
    8.6250  4.061181E+00  2.921855E+00
    8.6750  3.754406E+00  2.948356E+00
    8.7250  3.476736E+00  2.973180E+00
    8.7750  3.658272E+00  2.999601E+00
    8.8250  3.529517E+00  3.025383E+00
    8.8750  3.857214E+00  3.053879E+00
    8.9250  4.091896E+00  3.084451E+00
    8.9750  3.634392E+00  3.111909E+00
    9.0250  3.364370E+00  3.137612E+00
    9.0750  3.379067E+00  3.163713E+00
    9.1250  3.566991E+00  3.191571E+00
    9.1750  3.497891E+00  3.219189E+00
    9.2250  3.270072E+00  3.245291E+00
    9.2750  3.037056E+00  3.269796E+00
    9.3250  2.769689E+00  3.292385E+00
    9.3750  3.001660E+00  3.317130E+00
    9.4250  2.787871E+00  3.340358E+00
    9.4750  2.843840E+00  3.364304E+00
    9.5250  2.973525E+00  3.389607E+00
    9.5750  3.072507E+00  3.416028E+00
    9.6250  2.572166E+00  3.438378E+00
    9.6750  2.972954E+00  3.464480E+00
    9.7250  3.104433E+00  3.492018E+00
    9.7750  2.787746E+00  3.517002E+00
    9.8250  2.724180E+00  3.541667E+00
    9.8750  2.687936E+00  3.566252E+00
    9.9250  2.600446E+00  3.590278E+00
    9.9750  2.420489E+00  3.612867E+00
   10.0250  2.464147E+00  3.636095E+00
   10.0750  1.970245E+00  3.654853E+00
   10.1250  2.133465E+00  3.675367E+00
   10.1750  1.923488E+00  3.694045E+00
   10.2250  1.994261E+00  3.713602E+00
   10.2750  1.716953E+00  3.730603E+00
   10.3250  1.556672E+00  3.746169E+00
   10.3750  1.620765E+00  3.762532E+00
   10.4250  1.660069E+00  3.779454E+00
   10.4750  1.582212E+00  3.795738E+00
   10.5250  1.421249E+00  3.810504E+00
   10.5750  1.255642E+00  3.823675E+00
   10.6250  1.047851E+00  3.834770E+00
   10.6750  9.783136E-01  3.845227E+00
   10.7250  1.013605E+00  3.856162E+00
   10.7750  8.796082E-01  3.865741E+00
   10.8250  5.955259E-01  3.872286E+00
   10.8750  6.332377E-01  3.879310E+00
   10.9250  6.559754E-01  3.886654E+00
   10.9750  6.217506E-01  3.893678E+00
   11.0250  6.441296E-01  3.901022E+00
   11.0750  5.342517E-01  3.907168E+00
   11.1250  5.775930E-01  3.913873E+00
   11.1750  6.269536E-01  3.921216E+00
   11.2250  5.470852E-01  3.927682E+00
   11.2750  6.024931E-01  3.934866E+00
   11.3250  5.971848E-01  3.942050E+00
   11.3750  5.919464E-01  3.949234E+00
   11.4250  5.932963E-01  3.956497E+00
   11.4750  6.850829E-01  3.964958E+00
   11.5250  4.164608E-01  3.970147E+00
   11.5750  3.938151E-01  3.975096E+00
   11.6250  3.337587E-01  3.979326E+00
   11.6750  2.497405E-01  3.982519E+00
   11.7250  2.290439E-01  3.985473E+00
   11.7750  2.271029E-01  3.988426E+00
   11.8250  1.338946E-01  3.990182E+00
   11.8750  1.508744E-01  3.992178E+00
   11.9250  1.376429E-01  3.994013E+00
   11.9750  1.246267E-01  3.995690E+00
   12.0250  8.239495E-02  3.996807E+00
   12.0750  4.085700E-02  3.997366E+00
   12.1250  2.315470E-02  3.997685E+00
   12.1750  3.444737E-02  3.998164E+00
   12.2250  1.708308E-02  3.998404E+00
   12.2750  1.694420E-02  3.998643E+00
   12.3250  1.680700E-02  3.998883E+00
   12.3750  1.667146E-02  3.999122E+00
   12.4250  5.512518E-03  3.999202E+00
   12.4750  1.093684E-02  3.999361E+00
   12.5250  1.627453E-02  3.999601E+00
   12.5750  5.381791E-03  3.999681E+00
   12.6250  1.601774E-02  3.999920E+00
   12.6750  5.297206E-03  4.000000E+00
   12.7250  0.000000E+00  4.000000E+00
   12.7750  0.000000E+00  4.000000E+00
   12.8250  0.000000E+00  4.000000E+00
   12.8750  0.000000E+00  4.000000E+00
   12.9250  0.000000E+00  4.000000E+00
   12.9750  0.000000E+00  4.000000E+00
   13.0250  0.000000E+00  4.000000E+00
   13.0750  0.000000E+00  4.000000E+00
   13.1250  0.000000E+00  4.000000E+00
   13.1750  0.000000E+00  4.000000E+00
   13.2250  0.000000E+00  4.000000E+00
   13.2750  0.000000E+00  4.000000E+00
   13.3250  0.000000E+00  4.000000E+00
   13.3750  0.000000E+00  4.000000E+00
   13.4250  0.000000E+00  4.000000E+00
   13.4750  0.000000E+00  4.000000E+00
   13.5250  0.000000E+00  4.000000E+00
   13.5750  0.000000E+00  4.000000E+00
   13.6250  0.000000E+00  4.000000E+00
   13.6750  0.000000E+00  4.000000E+00
   13.7250  0.000000E+00  4.000000E+00
   13.7750  0.000000E+00  4.000000E+00
   13.8250  0.000000E+00  4.000000E+00
   13.8750  0.000000E+00  4.000000E+00
   13.9250  0.000000E+00  4.000000E+00
   13.9750  0.000000E+00  4.000000E+00

g(r)  :N       Oe      

        r      g(r)         n(r)

    2.4250  0.000000E+00  0.000000E+00
    2.4750  0.000000E+00  0.000000E+00
    2.5250  1.334770E-01  7.982120E-05
    2.5750  1.411783E+00  9.578544E-04
    2.6250  5.681061E+00  4.629630E-03
    2.6750  1.236848E+01  1.293103E-02
    2.7250  2.406675E+01  2.969349E-02
    2.7750  3.425842E+01  5.443806E-02
    2.8250  3.710858E+01  8.221584E-02
    2.8750  4.540413E+01  1.174170E-01
    2.9250  4.674971E+01  1.549330E-01
    2.9750  4.567229E+01  1.928480E-01
    3.0250  5.059197E+01  2.362708E-01
    3.0750  4.689011E+01  2.778576E-01
    3.1250  4.810311E+01  3.219189E-01
    3.1750  5.225617E+01  3.713282E-01
    3.2250  5.212123E+01  4.221743E-01
    3.2750  5.109733E+01  4.735792E-01
    3.3250  5.141956E+01  5.268997E-01
    3.3750  4.564877E+01  5.756705E-01
    3.4250  4.454335E+01  6.246807E-01
    3.4750  4.080420E+01  6.708972E-01
    3.5250  3.602497E+01  7.128831E-01
    3.5750  3.402555E+01  7.536718E-01
    3.6250  3.322292E+01  7.946201E-01
    3.6750  2.741014E+01  8.293423E-01
    3.7250  2.698590E+01  8.644636E-01
    3.7750  2.609664E+01  8.993455E-01
    3.8250  2.204517E+01  9.295977E-01
    3.8750  1.734265E+01  9.540230E-01
    3.9250  1.485971E+01  9.754949E-01
    3.9750  1.578087E+01  9.988825E-01
    4.0250  1.449823E+01  1.020913E+00
    4.0750  1.306841E+01  1.041268E+00
    4.1250  1.070296E+01  1.058349E+00
    4.1750  1.181519E+01  1.077666E+00
    4.2250  9.820918E+00  1.094109E+00
    4.2750  1.066355E+01  1.112388E+00
    4.3250  1.114634E+01  1.131944E+00
    4.3750  1.249364E+01  1.154374E+00
    4.4250  1.395138E+01  1.179997E+00
    4.4750  1.461878E+01  1.207455E+00
    4.5250  1.300907E+01  1.232439E+00
    4.5750  1.484054E+01  1.261574E+00
    4.6250  1.595365E+01  1.293582E+00
    4.6750  1.763901E+01  1.329741E+00
    4.7250  2.046963E+01  1.372605E+00
    4.7750  2.045376E+01  1.416347E+00
    4.8250  1.952028E+01  1.458972E+00
    4.8750  1.937259E+01  1.502155E+00
    4.9250  1.873564E+01  1.544780E+00
    4.9750  1.701997E+01  1.584291E+00
    5.0250  1.651444E+01  1.623404E+00
    5.0750  1.655410E+01  1.663394E+00
    5.1250  1.432104E+01  1.698675E+00
    5.1750  1.429986E+01  1.734595E+00
    5.2250  1.278060E+01  1.767321E+00
    5.2750  1.162194E+01  1.797653E+00
    5.3250  1.251518E+01  1.830939E+00
    5.3750  1.254853E+01  1.864943E+00
    5.4250  1.335927E+01  1.901820E+00
    5.4750  1.286087E+01  1.937979E+00
    5.5250  1.329824E+01  1.976054E+00
    5.5750  1.382745E+01  2.016363E+00
    5.6250  1.151169E+01  2.050527E+00
    5.6750  1.165326E+01  2.085728E+00
    5.7250  1.181411E+01  2.122047E+00
    5.7750  1.204422E+01  2.159722E+00
    5.8250  1.151228E+01  2.196360E+00
    5.8750  1.250066E+01  2.236830E+00
    5.9250  1.117545E+01  2.273627E+00
    5.9750  1.179968E+01  2.313139E+00
    6.0250  1.176875E+01  2.353209E+00
    6.0750  1.325917E+01  2.399106E+00
    6.1250  1.195472E+01  2.441172E+00
    6.1750  1.073525E+01  2.479566E+00
    6.2250  1.137607E+01  2.520913E+00
    6.2750  1.160614E+01  2.563777E+00
    6.3250  1.035974E+01  2.602650E+00
    6.3750  1.040728E+01  2.642321E+00
    6.4250  9.998541E+00  2.681034E+00
    6.4750  9.215471E+00  2.717273E+00
    6.5250  9.334630E+00  2.754550E+00
    6.5750  8.701057E+00  2.789831E+00
    6.6250  8.783503E+00  2.825990E+00
    6.6750  8.079401E+00  2.859754E+00
    6.7250  8.448958E+00  2.895594E+00
    6.7750  7.712872E+00  2.928799E+00
    6.8250  8.933980E+00  2.967832E+00
    6.8750  8.174325E+00  3.004071E+00
    6.9250  7.311376E+00  3.036957E+00
    6.9750  7.556781E+00  3.071440E+00
    7.0250  8.173860E+00  3.109275E+00
    7.0750  7.089649E+00  3.142561E+00
    7.1250  7.024022E+00  3.176006E+00
    7.1750  8.182820E+00  3.215517E+00
    7.2250  7.906926E+00  3.254231E+00
    7.2750  8.329241E+00  3.295578E+00
    7.3250  8.184198E+00  3.336766E+00
    7.3750  8.574291E+00  3.380508E+00
    7.4250  7.918924E+00  3.421456E+00
    7.4750  7.143190E+00  3.458892E+00
    7.5250  7.289043E+00  3.497605E+00
    7.5750  7.549085E+00  3.538234E+00
    7.6250  7.172296E+00  3.577347E+00
    7.6750  7.671488E+00  3.619732E+00
    7.7250  6.773895E+00  3.657647E+00
    7.7750  6.053542E+00  3.691970E+00
    7.8250  6.157110E+00  3.727331E+00
    7.8750  5.598877E+00  3.759898E+00
    7.9250  4.823845E+00  3.788314E+00
    7.9750  4.669883E+00  3.816172E+00
    8.0250  4.545800E+00  3.843630E+00
    8.0750  4.737656E+00  3.872605E+00
    8.1250  4.795548E+00  3.902299E+00
    8.1750  4.291374E+00  3.929199E+00
    8.2250  3.912286E+00  3.954023E+00
    8.2750  3.467450E+00  3.976293E+00
    8.3250  3.941655E+00  4.001916E+00
    8.3750  4.355790E+00  4.030572E+00
    8.4250  3.668797E+00  4.054997E+00
    8.4750  3.767817E+00  4.080380E+00
    8.5250  3.723750E+00  4.105763E+00
    8.5750  3.923499E+00  4.132822E+00
    8.6250  3.981101E+00  4.160600E+00
    8.6750  4.037118E+00  4.189096E+00
    8.7250  3.800933E+00  4.216236E+00
    8.7750  3.359863E+00  4.240501E+00
    8.8250  3.147062E+00  4.263490E+00
    8.8750  3.543883E+00  4.289671E+00
    8.9250  2.959413E+00  4.311782E+00
    8.9750  2.778620E+00  4.332775E+00
    9.0250  2.507605E+00  4.351932E+00
    9.0750  2.283712E+00  4.369572E+00
    9.1250  2.320077E+00  4.387692E+00
    9.1750  2.365626E+00  4.406370E+00
    9.2250  2.210049E+00  4.424010E+00
    9.2750  2.304997E+00  4.442609E+00
    9.3250  2.035673E+00  4.459211E+00
    9.3750  1.975286E+00  4.475495E+00
    9.4250  2.098088E+00  4.492976E+00
    9.4750  2.227675E+00  4.511734E+00
    9.5250  1.894802E+00  4.527858E+00
    9.5750  2.107127E+00  4.545977E+00
    9.6250  1.956683E+00  4.562979E+00
    9.6750  2.145618E+00  4.581817E+00
    9.7250  1.844663E+00  4.598180E+00
    9.7750  2.048504E+00  4.616539E+00
    9.8250  1.833752E+00  4.633142E+00
    9.8750  1.780321E+00  4.649425E+00
    9.9250  1.831544E+00  4.666347E+00
    9.9750  1.693487E+00  4.682152E+00
   10.0250  1.422601E+00  4.695562E+00
   10.0750  1.215683E+00  4.707136E+00
   10.1250  1.220309E+00  4.718870E+00
   10.1750  1.093265E+00  4.729486E+00
   10.2250  1.155857E+00  4.740821E+00
   10.2750  1.104331E+00  4.751756E+00
   10.3250  1.117610E+00  4.762931E+00
   10.3750  9.092099E-01  4.772110E+00
   10.4250  8.300347E-01  4.780572E+00
   10.4750  6.282312E-01  4.787037E+00
   10.5250  7.528777E-01  4.794860E+00
   10.5750  7.609950E-01  4.802842E+00
   10.6250  6.860031E-01  4.810105E+00
   10.6750  6.870600E-01  4.817449E+00
   10.7250  6.806687E-01  4.824792E+00
   10.7750  5.204349E-01  4.830460E+00
   10.8250  5.011132E-01  4.835967E+00
   10.8750  4.893200E-01  4.841395E+00
   10.9250  5.205022E-01  4.847222E+00
   10.9750  3.250060E-01  4.850894E+00
   11.0250  4.971000E-01  4.856561E+00
   11.0750  5.550667E-01  4.862947E+00
   11.1250  4.744514E-01  4.868455E+00
   11.1750  6.473978E-01  4.876038E+00
   11.2250  6.416431E-01  4.883621E+00
   11.2750  6.493537E-01  4.891363E+00
   11.3250  7.166218E-01  4.899984E+00
   11.3750  5.722148E-01  4.906928E+00
   11.4250  4.629015E-01  4.912596E+00
   11.4750  6.204525E-01  4.920259E+00
   11.5250  3.972396E-01  4.925208E+00
   11.5750  2.921854E-01  4.928879E+00
   11.6250  4.597054E-01  4.934706E+00
   11.6750  2.872015E-01  4.938378E+00
   11.7250  3.404707E-01  4.942768E+00
   11.7750  3.928266E-01  4.947877E+00
   11.8250  3.164782E-01  4.952027E+00
   11.8750  3.500286E-01  4.956657E+00
   11.9250  3.411150E-01  4.961207E+00
   11.9750  3.501416E-01  4.965916E+00
   12.0250  2.648409E-01  4.969508E+00
   12.0750  3.093459E-01  4.973739E+00
   12.1250  2.836451E-01  4.977650E+00
   12.1750  2.698377E-01  4.981402E+00
   12.2250  2.163857E-01  4.984435E+00
   12.2750  1.863862E-01  4.987069E+00
   12.3250  1.232513E-01  4.988825E+00
   12.3750  1.667146E-01  4.991220E+00
   12.4250  2.205007E-01  4.994413E+00
   12.4750  1.148368E-01  4.996089E+00
   12.5250  8.137267E-02  4.997286E+00
   12.5750  3.767254E-02  4.997845E+00
   12.6250  4.271398E-02  4.998483E+00
   12.6750  2.118882E-02  4.998803E+00
   12.7250  2.627830E-02  4.999202E+00
   12.7750  1.042920E-02  4.999361E+00
   12.8250  1.552206E-02  4.999601E+00
   12.8750  5.133911E-03  4.999681E+00
   12.9250  1.018853E-02  4.999840E+00
   12.9750  5.055081E-03  4.999920E+00
   13.0250  5.016345E-03  5.000000E+00
   13.0750  0.000000E+00  5.000000E+00
   13.1250  0.000000E+00  5.000000E+00
   13.1750  0.000000E+00  5.000000E+00
   13.2250  0.000000E+00  5.000000E+00
   13.2750  0.000000E+00  5.000000E+00
   13.3250  0.000000E+00  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :N       O       

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  1.283439E-01  7.982120E-05
    2.6250  3.705040E-01  3.192848E-04
    2.6750  1.664988E+00  1.436782E-03
    2.7250  2.177468E+00  2.953384E-03
    2.7750  5.857085E+00  7.183908E-03
    2.8250  9.597047E+00  1.436782E-02
    2.8750  9.986848E+00  2.211047E-02
    2.9250  1.402491E+01  3.336526E-02
    2.9750  1.249979E+01  4.374202E-02
    3.0250  1.394999E+01  5.571520E-02
    3.0750  1.089003E+01  6.537356E-02
    3.1250  1.394293E+01  7.814496E-02
    3.1750  1.266305E+01  9.011814E-02
    3.2250  1.096428E+01  1.008142E-01
    3.2750  1.094943E+01  1.118295E-01
    3.3250  8.621243E+00  1.207695E-01
    3.3750  1.113202E+01  1.326628E-01
    3.4250  9.213364E+00  1.428001E-01
    3.4750  8.950143E+00  1.529374E-01
    3.5250  7.807692E+00  1.620370E-01
    3.5750  8.389861E+00  1.720945E-01
    3.6250  8.742874E+00  1.828704E-01
    3.6750  9.010689E+00  1.942848E-01
    3.7250  8.402429E+00  2.052203E-01
    3.7750  1.015201E+01  2.187899E-01
    3.8250  8.143336E+00  2.299649E-01
    3.8750  8.161245E+00  2.414591E-01
    3.9250  8.783251E+00  2.541507E-01
    3.9750  8.994558E+00  2.674808E-01
    4.0250  8.719952E+00  2.807312E-01
    4.0750  8.558530E+00  2.940613E-01
    4.1250  8.052227E+00  3.069125E-01
    4.1750  7.958163E+00  3.199234E-01
    4.2250  8.343013E+00  3.338921E-01
    4.2750  7.264250E+00  3.463442E-01
    4.3250  6.915282E+00  3.584770E-01
    4.3750  7.158275E+00  3.713282E-01
    4.4250  7.605894E+00  3.852969E-01
    4.4750  8.329306E+00  4.009419E-01
    4.5250  7.356565E+00  4.150702E-01
    4.5750  7.399941E+00  4.295977E-01
    4.6250  5.808561E+00  4.412516E-01
    4.6750  6.619496E+00  4.548212E-01
    4.7250  6.175195E+00  4.677522E-01
    4.7750  6.942335E+00  4.825990E-01
    4.8250  8.224838E+00  5.005587E-01
    4.8750  6.194930E+00  5.143678E-01
    4.9250  8.104741E+00  5.328065E-01
    4.9750  9.283619E+00  5.543582E-01
    5.0250  8.998682E+00  5.756705E-01
    5.0750  9.813506E+00  5.993774E-01
    5.1250  1.065978E+01  6.256386E-01
    5.1750  1.182122E+01  6.553321E-01
    5.2250  1.287412E+01  6.882982E-01
    5.2750  1.293706E+01  7.220626E-01
    5.3250  1.497620E+01  7.618934E-01
    5.3750  1.484615E+01  8.021232E-01
    5.4250  1.691596E+01  8.488186E-01
    5.4750  1.771563E+01  8.986271E-01
    5.5250  1.527764E+01  9.423691E-01
    5.5750  1.905724E+01  9.979246E-01
    5.6250  1.904271E+01  1.054438E+00
    5.6750  1.852366E+01  1.110393E+00
    5.7250  2.168084E+01  1.177043E+00
    5.7750  2.242981E+01  1.247206E+00
    5.8250  2.355128E+01  1.322158E+00
    5.8750  2.352195E+01  1.398308E+00
    5.9250  2.482356E+01  1.480045E+00
    5.9750  2.407611E+01  1.560664E+00
    6.0250  2.536612E+01  1.647031E+00
    6.0750  2.358979E+01  1.728688E+00
    6.1250  2.341038E+01  1.811063E+00
    6.1750  2.131427E+01  1.887292E+00
    6.2250  2.171994E+01  1.966236E+00
    6.2750  1.943002E+01  2.037995E+00
    6.3250  1.784769E+01  2.104965E+00
    6.3750  1.518164E+01  2.162835E+00
    6.4250  1.298780E+01  2.213123E+00
    6.4750  1.189486E+01  2.259898E+00
    6.5250  1.051395E+01  2.301884E+00
    6.5750  8.760114E+00  2.337404E+00
    6.6250  8.977399E+00  2.374361E+00
    6.6750  8.671508E+00  2.410600E+00
    6.7250  9.446273E+00  2.450670E+00
    6.7750  9.826496E+00  2.492976E+00
    6.8250  1.026768E+01  2.537835E+00
    6.8750  9.794786E+00  2.581258E+00
    6.9250  9.778079E+00  2.625239E+00
    6.9750  9.585917E+00  2.668981E+00
    7.0250  9.536171E+00  2.713123E+00
    7.0750  9.214843E+00  2.756386E+00
    7.1250  9.622407E+00  2.802203E+00
    7.1750  8.976306E+00  2.845546E+00
    7.2250  8.167773E+00  2.885536E+00
    7.2750  8.554356E+00  2.928001E+00
    7.3250  7.343573E+00  2.964958E+00
    7.3750  6.774942E+00  2.999521E+00
    7.4250  6.915552E+00  3.035281E+00
    7.4750  6.549193E+00  3.069604E+00
    7.5250  6.778058E+00  3.105603E+00
    7.5750  6.125289E+00  3.138570E+00
    7.6250  5.928122E+00  3.170897E+00
    7.6750  6.140080E+00  3.204821E+00
    7.7250  6.160680E+00  3.239304E+00
    7.7750  6.152088E+00  3.274186E+00
    7.8250  5.754049E+00  3.307232E+00
    7.8750  6.394796E+00  3.344428E+00
    7.9250  5.745254E+00  3.378273E+00
    7.9750  5.379063E+00  3.410361E+00
    8.0250  5.642606E+00  3.444444E+00
    8.0750  5.116147E+00  3.475734E+00
    8.1250  5.001808E+00  3.506705E+00
    8.1750  4.724332E+00  3.536319E+00
    8.2250  5.006720E+00  3.568087E+00
    8.2750  4.511414E+00  3.597063E+00
    8.3250  4.481944E+00  3.626197E+00
    8.3750  4.622718E+00  3.656609E+00
    8.4250  4.651939E+00  3.687580E+00
    8.4750  4.727544E+00  3.719428E+00
    8.5250  4.391214E+00  3.749361E+00
    8.5750  4.525334E+00  3.780572E+00
    8.6250  4.690378E+00  3.813298E+00
    8.6750  4.184128E+00  3.842832E+00
    8.7250  4.505224E+00  3.875000E+00
    8.7750  4.078254E+00  3.904454E+00
    8.8250  4.043100E+00  3.933988E+00
    8.8750  3.684341E+00  3.961207E+00
    8.9250  3.536338E+00  3.987628E+00
    8.9750  3.338569E+00  4.012851E+00
    9.0250  3.688269E+00  4.041028E+00
    9.0750  3.255064E+00  4.066172E+00
    9.1250  3.464785E+00  4.093231E+00
    9.1750  3.194605E+00  4.118455E+00
    9.2250  3.100068E+00  4.143199E+00
    9.2750  2.957915E+00  4.167066E+00
    9.3250  2.857771E+00  4.190374E+00
    9.3750  2.536887E+00  4.211287E+00
    9.4250  2.586684E+00  4.232838E+00
    9.4750  2.616333E+00  4.254869E+00
    9.5250  2.720260E+00  4.278017E+00
    9.5750  2.413449E+00  4.298771E+00
    9.6250  2.112850E+00  4.317130E+00
    9.6750  2.218351E+00  4.336606E+00
    9.7250  2.078620E+00  4.355045E+00
    9.7750  2.075223E+00  4.373643E+00
    9.8250  2.177581E+00  4.393359E+00
    9.8750  2.050860E+00  4.412117E+00
    9.9250  1.961134E+00  4.430236E+00
    9.9750  1.855993E+00  4.447557E+00
   10.0250  1.973012E+00  4.466156E+00
   10.0750  2.037317E+00  4.485552E+00
   10.1250  1.942532E+00  4.504231E+00
   10.1750  1.890608E+00  4.522589E+00
   10.2250  1.741926E+00  4.539671E+00
   10.2750  2.160298E+00  4.561063E+00
   10.3250  1.628518E+00  4.577347E+00
   10.3750  1.944919E+00  4.596983E+00
   10.4250  1.730544E+00  4.614623E+00
   10.4750  1.760599E+00  4.632743E+00
   10.5250  1.390519E+00  4.647190E+00
   10.5750  1.537210E+00  4.663314E+00
   10.6250  1.470007E+00  4.678879E+00
   10.6750  1.396524E+00  4.693806E+00
   10.7250  1.383533E+00  4.708732E+00
   10.7750  1.356063E+00  4.723499E+00
   10.8250  1.278202E+00  4.737548E+00
   10.8750  1.259279E+00  4.751517E+00
   10.9250  1.076655E+00  4.763570E+00
   10.9750  1.059802E+00  4.775543E+00
   11.0250  9.451902E-01  4.786319E+00
   11.0750  1.012997E+00  4.797973E+00
   11.1250  9.970355E-01  4.809547E+00
   11.1750  1.083539E+00  4.822238E+00
   11.2250  1.060400E+00  4.834770E+00
   11.2750  9.506002E-01  4.846105E+00
   11.3250  9.289541E-01  4.857280E+00
   11.3750  9.471142E-01  4.868774E+00
   11.4250  8.932043E-01  4.879709E+00
   11.4750  8.466591E-01  4.890166E+00
   11.5250  6.983728E-01  4.898867E+00
   11.5750  6.732968E-01  4.907328E+00
   11.6250  6.234361E-01  4.915230E+00
   11.6750  5.369420E-01  4.922095E+00
   11.7250  4.642782E-01  4.928081E+00
   11.7750  3.682749E-01  4.932870E+00
   11.8250  4.260283E-01  4.938458E+00
   11.8750  3.681335E-01  4.943327E+00
   11.9250  3.231616E-01  4.947637E+00
   11.9750  3.382724E-01  4.952187E+00
   12.0250  2.471849E-01  4.955540E+00
   12.0750  1.575913E-01  4.957695E+00
   12.1250  2.141810E-01  4.960648E+00
   12.1750  2.353904E-01  4.963921E+00
   12.2250  1.765252E-01  4.966395E+00
   12.2750  1.355536E-01  4.968311E+00
   12.3250  1.120467E-01  4.969907E+00
   12.3750  9.447160E-02  4.971264E+00
   12.4250  1.323004E-01  4.973180E+00
   12.4750  1.148368E-01  4.974856E+00
   12.5250  8.137267E-02  4.976054E+00
   12.5750  8.610865E-02  4.977331E+00
   12.6250  5.873172E-02  4.978209E+00
   12.6750  8.475530E-02  4.979486E+00
   12.7250  9.460187E-02  4.980923E+00
   12.7750  9.907740E-02  4.982439E+00
   12.8250  8.795833E-02  4.983796E+00
   12.8750  9.241040E-02  4.985233E+00
   12.9250  1.273567E-01  4.987229E+00
   12.9750  8.593637E-02  4.988586E+00
   13.0250  9.029420E-02  4.990022E+00
   13.0750  4.480247E-02  4.990741E+00
   13.1250  5.434216E-02  4.991619E+00
   13.1750  6.863879E-02  4.992736E+00
   13.2250  6.325500E-02  4.993774E+00
   13.2750  6.760858E-02  4.994891E+00
   13.3250  7.189516E-02  4.996089E+00
   13.3750  5.232967E-02  4.996967E+00
   13.4250  5.666247E-02  4.997925E+00
   13.4750  3.749517E-02  4.998563E+00
   13.5250  4.187076E-02  4.999282E+00
   13.5750  9.236197E-03  4.999441E+00
   13.6250  1.833707E-02  4.999761E+00
   13.6750  4.550805E-03  4.999840E+00
   13.7250  4.517708E-03  4.999920E+00
   13.7750  4.484971E-03  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :N       K       

        r      g(r)         n(r)

    3.1750  0.000000E+00  0.000000E+00
    3.2250  0.000000E+00  0.000000E+00
    3.2750  1.410554E-01  7.982120E-05
    3.3250  1.368451E-01  1.596424E-04
    3.3750  6.641029E-01  5.587484E-04
    3.4250  2.579419E-01  7.183908E-04
    3.4750  7.517181E-01  1.197318E-03
    3.5250  9.740591E-01  1.835888E-03
    3.5750  7.102527E-01  2.314815E-03
    3.6250  1.496722E+00  3.352490E-03
    3.6750  1.232231E+00  4.230524E-03
    3.7250  2.071645E+00  5.747126E-03
    3.7750  1.380143E+00  6.784802E-03
    3.8250  1.447704E+00  7.902299E-03
    3.8750  1.712854E+00  9.259259E-03
    3.9250  2.356931E+00  1.117497E-02
    3.9750  2.106510E+00  1.293103E-02
    4.0250  3.922227E+00  1.628352E-02
    4.0750  2.642154E+00  1.859834E-02
    4.1250  2.934145E+00  2.123244E-02
    4.1750  1.562339E+00  2.266922E-02
    4.2250  3.390177E+00  2.586207E-02
    4.2750  3.808040E+00  2.953384E-02
    4.3250  4.448427E+00  3.392401E-02
    4.3750  3.873077E+00  3.783525E-02
    4.4250  5.408635E+00  4.342273E-02
    4.4750  5.288449E+00  4.901022E-02
    4.5250  8.275558E+00  5.795019E-02
    4.5750  8.601640E+00  6.744891E-02
    4.6250  1.032633E+01  7.910281E-02
    4.6750  8.999053E+00  8.947957E-02
    4.7250  9.012905E+00  1.000958E-01
    4.7750  8.161599E+00  1.099138E-01
    4.8250  7.603406E+00  1.192529E-01
    4.8750  5.347454E+00  1.259579E-01
    4.9250  6.112667E+00  1.337803E-01
    4.9750  7.579712E+00  1.436782E-01
    5.0250  5.931716E+00  1.515805E-01
    5.0750  6.344085E+00  1.602011E-01
    5.1250  4.377672E+00  1.662676E-01
    5.1750  4.745435E+00  1.729725E-01
    5.2250  5.098387E+00  1.803161E-01
    5.2750  4.349734E+00  1.867018E-01
    5.3250  3.948300E+00  1.926086E-01
    5.3750  3.718083E+00  1.982759E-01
    5.4250  3.238611E+00  2.033046E-01
    5.4750  2.876898E+00  2.078544E-01
    5.5250  2.131188E+00  2.112867E-01
    5.5750  1.655035E+00  2.140006E-01
    5.6250  1.386663E+00  2.163155E-01
    5.6750  1.785130E+00  2.193487E-01
    5.7250  1.938726E+00  2.227011E-01
    5.7750  2.132122E+00  2.264527E-01
    5.8250  1.114721E+00  2.284483E-01
    5.8750  1.008162E+00  2.302842E-01
    5.9250  1.982437E+00  2.339559E-01
    5.9750  1.271346E+00  2.363506E-01
    6.0250  1.000266E+00  2.382663E-01
    6.0750  1.147847E+00  2.405013E-01
    6.1250  1.088855E+00  2.426564E-01
    6.1750  6.348404E-01  2.439336E-01
    6.2250  2.732989E-01  2.444923E-01
    6.2750  3.458069E-01  2.452107E-01
    6.3250  6.807224E-01  2.466475E-01
    6.3750  4.467242E-01  2.476054E-01
    6.4250  5.130981E-01  2.487229E-01
    6.4750  2.886883E-01  2.493614E-01
    6.5250  2.487458E-01  2.499202E-01
    6.5750  1.749836E-01  2.503193E-01
    6.6250  1.723523E-01  2.507184E-01
    6.6750  1.358239E-01  2.510377E-01
    6.7250  3.345294E-02  2.511175E-01
    6.7750  1.648050E-01  2.515166E-01
    6.8250  3.247982E-02  2.515964E-01
    6.8750  1.920546E-01  2.520754E-01
    6.9250  1.261942E-01  2.523946E-01
    6.9750  1.243915E-01  2.527139E-01
    7.0250  9.197030E-02  2.529534E-01
    7.0750  1.511249E-01  2.533525E-01
    7.1250  1.192091E-01  2.536718E-01
    7.1750  1.175534E-01  2.539911E-01
    7.2250  2.028810E-01  2.545498E-01
    7.2750  4.287898E-01  2.557471E-01
    7.3250  3.101677E-01  2.566252E-01
    7.3750  2.781603E-01  2.574234E-01
    7.4250  4.665253E-01  2.587803E-01
    7.4750  4.061515E-01  2.599777E-01
    7.5250  6.412354E-01  2.618934E-01
    7.5750  5.800650E-01  2.636494E-01
    7.6250  6.245264E-01  2.655651E-01
    7.6750  7.448358E-01  2.678799E-01
    7.7250  5.831096E-01  2.697158E-01
    7.7750  7.257993E-01  2.720307E-01
    7.8250  7.165536E-01  2.743455E-01
    7.8750  9.758392E-01  2.775383E-01
    7.9250  9.635646E-01  2.807312E-01
    7.9750  9.515202E-01  2.839240E-01
    8.0250  7.047752E-01  2.863186E-01
    8.0750  8.352893E-01  2.891922E-01
    8.1250  5.729447E-01  2.911877E-01
    8.1750  7.470642E-01  2.938218E-01
    8.2250  9.616480E-01  2.972542E-01
    8.2750  8.174953E-01  3.002075E-01
    8.3250  5.457466E-01  3.022031E-01
    8.3750  5.176797E-01  3.041188E-01
    8.4250  5.541829E-01  3.061941E-01
    8.4750  7.583028E-01  3.090677E-01
    8.5250  6.245282E-01  3.114623E-01
    8.5750  6.789930E-01  3.140964E-01
    8.6250  4.677666E-01  3.159323E-01
    8.6750  5.227018E-01  3.180077E-01
    8.7250  4.571057E-01  3.198436E-01
    8.7750  3.929664E-01  3.214400E-01
    8.8250  4.468051E-01  3.232759E-01
    8.8750  5.186170E-01  3.254310E-01
    8.9250  5.698027E-01  3.278257E-01
    8.9750  3.944301E-01  3.295019E-01
    9.0250  5.200958E-01  3.317369E-01
    9.0750  3.123025E-01  3.330939E-01
    9.1250  3.633992E-01  3.346903E-01
    9.1750  5.571464E-01  3.371648E-01
    9.2250  7.289049E-01  3.404374E-01
    9.2750  4.045012E-01  3.422733E-01
    9.3250  5.567652E-01  3.448276E-01
    9.3750  4.647731E-01  3.469828E-01
    9.4250  4.768866E-01  3.492178E-01
    9.4750  8.931765E-01  3.534483E-01
    9.5250  7.504165E-01  3.570402E-01
    9.5750  9.406264E-01  3.615900E-01
    9.6250  8.818854E-01  3.659004E-01
    9.6750  9.859338E-01  3.707695E-01
    9.7250  6.558802E-01  3.740421E-01
    9.7750  8.391937E-01  3.782727E-01
    9.8250  9.090396E-01  3.829023E-01
    9.8750  7.912539E-01  3.869732E-01
    9.9250  7.679428E-01  3.909642E-01
    9.9750  6.690319E-01  3.944764E-01
   10.0250  8.129146E-01  3.987867E-01
   10.0750  4.173379E-01  4.010217E-01
   10.1250  5.608071E-01  4.040549E-01
   10.1750  6.868296E-01  4.078065E-01
   10.2250  8.537788E-01  4.125160E-01
   10.2750  9.458021E-01  4.177842E-01
   10.3250  6.244426E-01  4.212963E-01
   10.3750  6.887155E-01  4.252075E-01
   10.4250  6.542832E-01  4.289591E-01
   10.4750  6.204753E-01  4.325511E-01
   10.5250  6.828822E-01  4.365421E-01
   10.5750  8.793720E-01  4.417305E-01
   10.6250  8.711151E-01  4.469189E-01
   10.6750  7.302086E-01  4.513091E-01
   10.7250  8.549462E-01  4.564974E-01
   10.7750  7.688427E-01  4.612069E-01
   10.8250  7.875789E-01  4.660760E-01
   10.8750  8.699023E-01  4.715038E-01
   10.9250  1.026744E+00  4.779693E-01
   10.9750  1.092774E+00  4.849138E-01
   11.0250  7.094761E-01  4.894636E-01
   11.0750  9.621156E-01  4.956897E-01
   11.1250  1.075729E+00  5.027139E-01
   11.1750  9.934337E-01  5.092593E-01
   11.2250  1.008618E+00  5.159642E-01
   11.2750  1.047297E+00  5.229885E-01
   11.3250  8.021445E-01  5.284163E-01
   11.3750  9.704997E-01  5.350415E-01
   11.4250  8.577080E-01  5.409483E-01
   11.4750  8.502497E-01  5.468550E-01
   11.5250  7.631556E-01  5.522031E-01
   11.5750  5.759017E-01  5.562739E-01
   11.6250  6.829110E-01  5.611430E-01
   11.6750  7.436716E-01  5.664911E-01
   11.7250  6.272914E-01  5.710409E-01
   11.7750  7.747413E-01  5.767082E-01
   11.8250  7.465639E-01  5.822158E-01
   11.8750  8.904941E-01  5.888410E-01
   11.9250  8.936814E-01  5.955460E-01
   11.9750  1.002289E+00  6.031290E-01
   12.0250  8.265652E-01  6.094349E-01
   12.0750  1.110273E+00  6.179757E-01
   12.1250  1.451028E+00  6.292305E-01
   12.1750  1.388101E+00  6.400862E-01
   12.2250  1.255290E+00  6.499840E-01
   12.2750  9.137316E-01  6.572478E-01
   12.3250  9.063330E-01  6.645115E-01
   12.3750  9.187826E-01  6.719349E-01
   12.4250  1.107404E+00  6.809547E-01
   12.4750  1.117988E+00  6.901341E-01
   12.5250  1.263386E+00  7.005907E-01
   12.5750  1.195954E+00  7.105683E-01
   12.6250  1.110563E+00  7.199074E-01
   12.6750  1.017064E+00  7.285281E-01
   12.7250  9.810565E-01  7.369093E-01
   12.7750  1.140259E+00  7.467273E-01
   12.8250  9.198257E-01  7.547095E-01
   12.8750  8.488066E-01  7.621328E-01
   12.9250  8.694216E-01  7.697957E-01
   12.9750  8.717206E-01  7.775383E-01
   13.0250  9.185485E-01  7.857599E-01
   13.0750  9.734858E-01  7.945402E-01
   13.1250  1.106604E+00  8.045977E-01
   13.1750  7.670113E-01  8.116220E-01
   13.2250  7.352718E-01  8.184068E-01
   13.2750  7.812547E-01  8.256705E-01
   13.3250  7.668818E-01  8.328544E-01
   13.3750  7.780734E-01  8.401980E-01
   13.4250  7.554996E-01  8.473819E-01
   13.4750  8.748873E-01  8.557631E-01
   13.5250  9.015136E-01  8.644636E-01
   13.5750  8.456252E-01  8.726852E-01
   13.6250  1.092074E+00  8.833812E-01
   13.6750  1.108374E+00  8.943167E-01
   13.7250  1.084250E+00  9.050926E-01
   13.7750  1.140179E+00  9.165070E-01
   13.8250  1.234851E+00  9.289591E-01
   13.8750  1.147380E+00  9.406130E-01
   13.9250  1.427845E+00  9.552203E-01
   13.9750  1.138765E+00  9.669540E-01

g(r)  :N       cl      

        r      g(r)         n(r)

    7.7750  0.000000E+00  0.000000E+00
    7.8250  0.000000E+00  0.000000E+00
    7.8750  4.879196E-02  1.596424E-04
    7.9250  2.408912E-02  2.394636E-04
    7.9750  0.000000E+00  2.394636E-04
    8.0250  4.698501E-02  3.991060E-04
    8.0750  6.960744E-02  6.385696E-04
    8.1250  1.375067E-01  1.117497E-03
    8.1750  4.527662E-02  1.277139E-03
    8.2250  6.709172E-02  1.516603E-03
    8.2750  4.418893E-02  1.676245E-03
    8.3250  4.365973E-02  1.835888E-03
    8.3750  2.156999E-02  1.915709E-03
    8.4250  8.525890E-02  2.234994E-03
    8.4750  4.212793E-02  2.394636E-03
    8.5250  2.081761E-02  2.474457E-03
    8.5750  8.230218E-02  2.793742E-03
    8.6250  6.101304E-02  3.033206E-03
    8.6750  8.041567E-02  3.352490E-03
    8.7250  5.962248E-02  3.591954E-03
    8.7750  9.824160E-02  3.991060E-03
    8.8250  3.885261E-02  4.150702E-03
    8.8750  1.152482E-01  4.629630E-03
    8.9250  1.139605E-01  5.108557E-03
    8.9750  1.126943E-01  5.587484E-03
    9.0250  1.114491E-01  6.066411E-03
    9.0750  2.571903E-01  7.183908E-03
    9.1250  1.090198E-01  7.662835E-03
    9.1750  1.258072E-01  8.221584E-03
    9.2250  1.955599E-01  9.099617E-03
    9.2750  3.869142E-01  1.085568E-02
    9.3250  3.305794E-01  1.237229E-02
    9.3750  3.614902E-01  1.404853E-02
    9.4250  3.746966E-01  1.580460E-02
    9.4750  4.381620E-01  1.787995E-02
    9.5250  4.168981E-01  1.987548E-02
    9.5750  4.785643E-01  2.219029E-02
    9.6250  4.409427E-01  2.434547E-02
    9.6750  6.141883E-01  2.737867E-02
    9.7250  5.598977E-01  3.017241E-02
    9.7750  6.016861E-01  3.320562E-02
    9.8250  5.015391E-01  3.575990E-02
    9.8750  5.585322E-01  3.863346E-02
    9.9250  4.607657E-01  4.102810E-02
    9.9750  4.105423E-01  4.318327E-02
   10.0250  4.817272E-01  4.573755E-02
   10.0750  2.980985E-01  4.733397E-02
   10.1250  3.246778E-01  4.909004E-02
   10.1750  3.653349E-01  5.108557E-02
   10.2250  6.367164E-01  5.459770E-02
   10.2750  5.732134E-01  5.779055E-02
   10.3250  4.683320E-01  6.042465E-02
   10.3750  4.638288E-01  6.305875E-02
   10.4250  6.125204E-01  6.657088E-02
   10.4750  5.791102E-01  6.992337E-02
   10.5250  5.872787E-01  7.335568E-02
   10.5750  5.952672E-01  7.686782E-02
   10.6250  6.030797E-01  8.045977E-02
   10.6750  7.434852E-01  8.492976E-02
   10.7250  5.655798E-01  8.836207E-02
   10.7750  7.167178E-01  9.275223E-02
   10.8250  6.455565E-01  9.674330E-02
   10.8750  6.524267E-01  1.008142E-01
   10.9250  5.070341E-01  1.040070E-01
   10.9750  6.029097E-01  1.078384E-01
   11.0250  5.352188E-01  1.112708E-01
   11.0750  5.180622E-01  1.146232E-01
   11.1250  5.989853E-01  1.185345E-01
   11.1750  5.209470E-01  1.219668E-01
   11.2250  3.722281E-01  1.244413E-01
   11.2750  4.641428E-01  1.275543E-01
   11.3250  6.369971E-01  1.318646E-01
   11.3750  5.612529E-01  1.356960E-01
   11.4250  3.940820E-01  1.384100E-01
   11.4750  4.136350E-01  1.412835E-01
   11.5250  3.417115E-01  1.436782E-01
   11.5750  4.742720E-01  1.470307E-01
   11.6250  4.813963E-01  1.504630E-01
   11.6750  5.882775E-01  1.546935E-01
   11.7250  5.942761E-01  1.590038E-01
   11.7750  6.001517E-01  1.633940E-01
   11.8250  4.111511E-01  1.664272E-01
   11.8750  5.578999E-01  1.705779E-01
   11.9250  5.319532E-01  1.745690E-01
   11.9750  7.279780E-01  1.800766E-01
   12.0250  7.742510E-01  1.859834E-01
   12.0750  7.263467E-01  1.915709E-01
   12.1250  8.232784E-01  1.979566E-01
   12.1750  6.634308E-01  2.031450E-01
   12.2250  9.110978E-01  2.103289E-01
   12.2750  6.526654E-01  2.155172E-01
   12.3250  6.473807E-01  2.207056E-01
   12.3750  7.310744E-01  2.266124E-01
   12.4250  8.232026E-01  2.333174E-01
   12.4750  5.444114E-01  2.377874E-01
   12.5250  5.400734E-01  2.422573E-01
   12.5750  6.697340E-01  2.478448E-01
   12.6250  5.030757E-01  2.520754E-01
   12.6750  5.744526E-01  2.569444E-01
   12.7250  7.474716E-01  2.633301E-01
   12.7750  6.952800E-01  2.693167E-01
   12.8250  5.886885E-01  2.744253E-01
   12.8750  6.023789E-01  2.796935E-01
   12.9250  5.705579E-01  2.847222E-01
   12.9750  5.661690E-01  2.897510E-01
   13.0250  6.599280E-01  2.956577E-01
   13.0750  6.017912E-01  3.010856E-01
   13.1250  5.708671E-01  3.062739E-01
   13.1750  6.449867E-01  3.121807E-01
   13.2250  5.709169E-01  3.174489E-01
   13.2750  6.868173E-01  3.238346E-01
   13.3250  7.754027E-01  3.310983E-01
   13.3750  8.203600E-01  3.388410E-01
   13.4250  8.394440E-01  3.468231E-01
   13.4750  7.165743E-01  3.536877E-01
   13.5250  7.278275E-01  3.607120E-01
   13.5750  7.799455E-01  3.682950E-01
   13.6250  6.682842E-01  3.748404E-01
   13.6750  7.685804E-01  3.824234E-01
   13.7250  7.870852E-01  3.902458E-01
   13.7750  6.857023E-01  3.971105E-01
   13.8250  8.628128E-01  4.058110E-01
   13.8750  9.194757E-01  4.151501E-01
   13.9250  8.036505E-01  4.233716E-01
   13.9750  9.683375E-01  4.333493E-01

g(r)  :N       OW      

        r      g(r)         n(r)

    2.5750  0.000000E+00  0.000000E+00
    2.6250  0.000000E+00  0.000000E+00
    2.6750  1.815691E-03  7.982120E-05
    2.7250  1.749673E-03  1.596424E-04
    2.7750  1.518472E-02  8.780332E-04
    2.8250  1.790798E-02  1.756066E-03
    2.8750  2.043425E-02  2.793742E-03
    2.9250  2.429740E-02  4.070881E-03
    2.9750  2.055161E-02  5.188378E-03
    3.0250  3.407632E-02  7.104087E-03
    3.0750  2.610693E-02  8.620690E-03
    3.1250  4.124340E-02  1.109515E-02
    3.1750  6.057640E-02  1.484674E-02
    3.2250  4.372220E-02  1.764049E-02
    3.2750  4.239738E-02  2.043423E-02
    3.3250  3.525590E-02  2.282886E-02
    3.3750  5.360983E-02  2.658046E-02
    3.4250  5.427118E-02  3.049170E-02
    3.4750  6.240408E-02  3.512133E-02
    3.5250  6.378321E-02  3.999042E-02
    3.5750  6.811107E-02  4.533844E-02
    3.6250  7.415500E-02  5.132503E-02
    3.6750  8.658112E-02  5.850894E-02
    3.7250  7.397246E-02  6.481481E-02
    3.7750  8.387830E-02  7.215837E-02
    3.8250  7.992369E-02  7.934227E-02
    3.8750  9.344937E-02  8.796296E-02
    3.9250  1.096378E-01  9.833972E-02
    3.9750  8.305073E-02  1.064017E-01
    4.0250  1.331290E-01  1.196520E-01
    4.0750  1.220579E-01  1.321041E-01
    4.1250  1.565318E-01  1.484674E-01
    4.1750  1.654767E-01  1.661877E-01
    4.2250  1.608555E-01  1.838282E-01
    4.2750  1.819973E-01  2.042625E-01
    4.3250  2.035132E-01  2.276501E-01
    4.3750  1.873485E-01  2.496807E-01
    4.4250  2.030450E-01  2.741060E-01
    4.4750  2.186459E-01  3.010057E-01
    4.5250  2.404915E-01  3.312580E-01
    4.5750  2.538861E-01  3.639049E-01
    4.6250  2.684705E-01  3.991858E-01
    4.6750  3.126946E-01  4.411718E-01
    4.7250  3.270625E-01  4.860313E-01
    4.7750  3.219584E-01  5.311303E-01
    4.8250  3.672226E-01  5.836526E-01
    4.8750  3.673824E-01  6.372925E-01
    4.9250  4.033489E-01  6.973978E-01
    4.9750  3.947572E-01  7.574234E-01
    5.0250  4.054643E-01  8.203225E-01
    5.0750  4.076034E-01  8.848180E-01
    5.1250  3.665465E-01  9.439655E-01
    5.1750  3.813296E-01  1.006705E+00
    5.2250  4.073802E-01  1.075032E+00
    5.2750  4.043633E-01  1.144157E+00
    5.3250  4.087187E-01  1.215358E+00
    5.3750  4.101444E-01  1.288155E+00
    5.4250  3.999703E-01  1.360473E+00
    5.4750  4.087356E-01  1.435744E+00
    5.5250  3.873254E-01  1.508381E+00
    5.5750  4.276466E-01  1.590038E+00
    5.6250  4.048844E-01  1.668742E+00
    5.6750  4.070602E-01  1.749282E+00
    5.7250  4.007739E-01  1.829981E+00
    5.7750  4.374971E-01  1.919620E+00
    5.8250  4.663960E-01  2.016842E+00
    5.8750  5.198492E-01  2.127075E+00
    5.9250  5.277671E-01  2.240900E+00
    5.9750  5.200630E-01  2.354965E+00
    6.0250  5.168359E-01  2.470227E+00
    6.0750  5.805341E-01  2.601852E+00
    6.1250  5.624365E-01  2.731481E+00
    6.1750  5.796023E-01  2.867257E+00
    6.2250  6.041932E-01  3.011095E+00
    6.2750  6.361790E-01  3.164990E+00
    6.3250  6.560397E-01  3.326229E+00
    6.3750  6.630530E-01  3.491778E+00
    6.4250  6.546617E-01  3.657807E+00
    6.4750  6.734108E-01  3.831258E+00
    6.5250  6.466509E-01  4.000399E+00
    6.5750  6.717165E-01  4.178799E+00
    6.6250  6.548071E-01  4.355364E+00
    6.6750  6.520326E-01  4.533844E+00
    6.7250  6.613339E-01  4.717593E+00
    6.7750  6.275483E-01  4.894556E+00
    6.8250  6.529745E-01  5.081418E+00
    6.8750  6.347149E-01  5.265725E+00
    6.9250  6.813945E-01  5.466475E+00
    6.9750  6.882183E-01  5.672174E+00
    7.0250  6.752972E-01  5.876916E+00
    7.0750  6.631905E-01  6.080859E+00
    7.1250  6.255064E-01  6.275942E+00
    7.1750  6.067237E-01  6.467832E+00
    7.2250  6.147826E-01  6.664990E+00
    7.2750  5.935956E-01  6.857998E+00
    7.3250  6.400034E-01  7.068966E+00
    7.3750  6.277717E-01  7.278736E+00
    7.4250  6.054407E-01  7.483796E+00
    7.4750  6.171333E-01  7.695642E+00
    7.5250  5.956514E-01  7.902858E+00
    7.5750  6.394402E-01  8.128273E+00
    7.6250  5.897395E-01  8.338921E+00
    7.6750  5.961970E-01  8.554678E+00
    7.7250  5.983018E-01  8.774026E+00
    7.7750  6.346923E-01  9.009738E+00
    7.8250  6.399753E-01  9.250479E+00
    7.8750  6.348076E-01  9.492337E+00
    7.9250  6.634391E-01  9.748324E+00
    7.9750  6.575976E-01  1.000527E+01
    8.0250  6.447886E-01  1.026038E+01
    8.0750  6.591452E-01  1.052443E+01
    8.1250  6.744784E-01  1.079797E+01
    8.1750  6.771403E-01  1.107599E+01
    8.2250  6.902509E-01  1.136287E+01
    8.2750  6.665656E-01  1.164328E+01
    8.3250  6.850162E-01  1.193495E+01
    8.3750  7.109452E-01  1.224130E+01
    8.4250  7.047283E-01  1.254861E+01
    8.4750  7.221242E-01  1.286726E+01
    8.5250  7.101029E-01  1.318431E+01
    8.5750  7.186323E-01  1.350894E+01
    8.6250  7.471769E-01  1.385042E+01
    8.6750  7.418691E-01  1.419341E+01
    8.7250  7.354387E-01  1.453736E+01
    8.7750  7.707841E-01  1.490198E+01
    8.8250  7.860981E-01  1.527810E+01
    8.8750  8.082771E-01  1.566922E+01
    8.9250  8.026715E-01  1.606202E+01
    8.9750  8.045601E-01  1.646017E+01
    9.0250  8.227879E-01  1.687189E+01
    9.0750  7.932370E-01  1.727323E+01
    9.1250  7.939302E-01  1.767936E+01
    9.1750  8.504337E-01  1.811917E+01
    9.2250  8.389498E-01  1.855779E+01
    9.2750  8.169400E-01  1.898954E+01
    9.3250  8.424195E-01  1.943958E+01
    9.3750  8.260663E-01  1.988562E+01
    9.4250  8.275634E-01  2.033724E+01
    9.4750  8.382454E-01  2.079957E+01
    9.5250  8.495173E-01  2.127307E+01
    9.5750  8.726964E-01  2.176461E+01
    9.6250  8.642140E-01  2.225647E+01
    9.6750  8.647433E-01  2.275375E+01
    9.7250  8.778549E-01  2.326381E+01
    9.7750  8.849427E-01  2.378329E+01
    9.8250  8.941292E-01  2.431354E+01
    9.8750  8.920260E-01  2.484794E+01
    9.9250  9.090450E-01  2.539807E+01
    9.9750  8.789313E-01  2.593534E+01
   10.0250  8.836310E-01  2.648092E+01
   10.0750  8.856342E-01  2.703321E+01
   10.1250  8.775425E-01  2.758589E+01
   10.1750  8.828694E-01  2.814743E+01
   10.2250  8.786056E-01  2.871177E+01
   10.2750  8.921043E-01  2.929039E+01
   10.3250  8.907976E-01  2.987380E+01
   10.3750  8.845257E-01  3.045873E+01
   10.4250  8.539447E-01  3.102890E+01
   10.4750  8.787303E-01  3.162125E+01
   10.5250  8.702839E-01  3.221352E+01
   10.5750  9.016919E-01  3.283301E+01
   10.6250  8.596187E-01  3.342920E+01
   10.6750  8.783787E-01  3.404414E+01
   10.7250  8.687393E-01  3.465805E+01
   10.7750  8.789368E-01  3.528496E+01
   10.8250  8.802607E-01  3.591866E+01
   10.8750  8.805343E-01  3.655843E+01
   10.9250  9.148386E-01  3.722925E+01
   10.9750  9.091107E-01  3.790198E+01
   11.0250  9.210861E-01  3.858980E+01
   11.0750  9.110932E-01  3.927634E+01
   11.1250  9.175141E-01  3.997398E+01
   11.1750  9.271131E-01  4.068527E+01
   11.2250  9.234093E-01  4.140006E+01
   11.2750  9.142155E-01  4.211406E+01
   11.3250  9.164938E-01  4.283621E+01
   11.3750  9.299432E-01  4.357543E+01
   11.4250  9.400370E-01  4.432926E+01
   11.4750  9.790282E-01  4.512125E+01
   11.5250  9.690846E-01  4.591204E+01
   11.5750  9.614093E-01  4.670338E+01
   11.6250  9.660400E-01  4.750543E+01
   11.6750  9.518734E-01  4.830252E+01
   11.7250  9.705186E-01  4.912221E+01
   11.7750  9.610757E-01  4.994085E+01
   11.8250  9.643943E-01  5.076932E+01
   11.8750  9.652275E-01  5.160552E+01
   11.9250  9.871184E-01  5.246791E+01
   11.9750  9.839663E-01  5.333477E+01
   12.0250  9.890090E-01  5.421336E+01
   12.0750  9.914395E-01  5.510145E+01
   12.1250  9.898194E-01  5.599545E+01
   12.1750  1.006862E+00  5.691236E+01
   12.2250  9.927315E-01  5.782383E+01
   12.2750  9.846606E-01  5.873531E+01
   12.3250  9.907149E-01  5.965988E+01
   12.3750  9.724594E-01  6.057479E+01
   12.4250  1.002521E+00  6.152562E+01
   12.4750  9.953355E-01  6.247725E+01
   12.5250  1.011754E+00  6.345235E+01
   12.5750  1.016378E+00  6.443973E+01
   12.6250  1.026603E+00  6.544500E+01
   12.6750  1.026768E+00  6.645841E+01
   12.7250  1.021443E+00  6.747454E+01
   12.7750  1.006935E+00  6.848412E+01
   12.8250  1.023350E+00  6.951820E+01
   12.8750  1.029134E+00  7.056625E+01
   12.9250  1.000265E+00  7.159283E+01
   12.9750  1.012483E+00  7.264001E+01
   13.0250  1.012842E+00  7.369564E+01
   13.0750  1.008531E+00  7.475487E+01
   13.1250  1.005236E+00  7.581873E+01
   13.1750  1.005105E+00  7.689057E+01
   13.2250  1.006657E+00  7.797222E+01
   13.2750  1.022976E+00  7.907974E+01
   13.3250  1.025558E+00  8.019844E+01
   13.3750  1.042744E+00  8.134443E+01
   13.4250  1.033838E+00  8.248914E+01
   13.4750  1.026967E+00  8.363474E+01
   13.5250  1.031392E+00  8.479382E+01
   13.5750  1.037627E+00  8.596855E+01
   13.6250  1.020507E+00  8.713242E+01
   13.6750  1.031747E+00  8.831777E+01
   13.7250  1.069283E+00  8.955524E+01
   13.7750  1.070368E+00  9.080300E+01
   13.8250  1.081401E+00  9.207280E+01
   13.8750  1.082665E+00  9.335329E+01
   13.9250  1.078120E+00  9.463761E+01
   13.9750  1.081663E+00  9.593542E+01

g(r)  :N       HW      

        r      g(r)         n(r)

    2.2250  0.000000E+00  0.000000E+00
    2.2750  0.000000E+00  0.000000E+00
    2.3250  2.403474E-03  1.596424E-04
    2.3750  0.000000E+00  1.596424E-04
    2.4250  2.209343E-03  3.192848E-04
    2.4750  2.120982E-03  4.789272E-04
    2.5250  2.037817E-03  6.385696E-04
    2.5750  3.918898E-03  9.578544E-04
    2.6250  7.542066E-03  1.596424E-03
    2.6750  7.262763E-03  2.234994E-03
    2.7250  6.998692E-03  2.873563E-03
    2.7750  1.012315E-02  3.831418E-03
    2.8250  1.058199E-02  4.869093E-03
    2.8750  1.100306E-02  5.986590E-03
    2.9250  1.442658E-02  7.503193E-03
    2.9750  3.302938E-02  1.109515E-02
    3.0250  2.839693E-02  1.428799E-02
    3.0750  3.022908E-02  1.780013E-02
    3.1250  3.525645E-02  2.203065E-02
    3.1750  4.575452E-02  2.769796E-02
    3.2250  6.121108E-02  3.552043E-02
    3.2750  7.207555E-02  4.501916E-02
    3.3250  7.873818E-02  5.571520E-02
    3.3750  9.182109E-02  6.856641E-02
    3.4250  1.079886E-01  8.413155E-02
    3.4750  1.145868E-01  1.011335E-01
    3.5250  1.259980E-01  1.203704E-01
    3.5750  1.306309E-01  1.408844E-01
    3.6250  1.621523E-01  1.670658E-01
    3.6750  1.789343E-01  1.967593E-01
    3.7250  1.839948E-01  2.281290E-01
    3.7750  2.124309E-01  2.653257E-01
    3.8250  1.931489E-01  3.000479E-01
    3.8750  2.267013E-01  3.418742E-01
    3.9250  2.218057E-01  3.838602E-01
    3.9750  2.322954E-01  4.289591E-01
    4.0250  2.153322E-01  4.718231E-01
    4.0750  2.167311E-01  5.160441E-01
    4.1250  2.309799E-01  5.643359E-01
    4.1750  2.090821E-01  6.091156E-01
    4.2250  2.012513E-01  6.532567E-01
    4.2750  2.136335E-01  7.012292E-01
    4.3250  2.128901E-01  7.501596E-01
    4.3750  1.988881E-01  7.969349E-01
    4.4250  1.970731E-01  8.443487E-01
    4.4750  2.248095E-01  8.996648E-01
    4.5250  2.430296E-01  9.608078E-01
    4.5750  2.439541E-01  1.023547E+00
    4.6250  2.350636E-01  1.085329E+00
    4.6750  2.526525E-01  1.153177E+00
    4.7250  2.633377E-01  1.225415E+00
    4.7750  2.777960E-01  1.303241E+00
    4.8250  2.793236E-01  1.383142E+00
    4.8750  2.769035E-01  1.464001E+00
    4.9250  3.018421E-01  1.553959E+00
    4.9750  3.173281E-01  1.650463E+00
    5.0250  3.498930E-01  1.759020E+00
    5.0750  3.505995E-01  1.869971E+00
    5.1250  3.771818E-01  1.991699E+00
    5.1750  3.747801E-01  2.115022E+00
    5.2250  3.888197E-01  2.245450E+00
    5.2750  4.003944E-01  2.382344E+00
    5.3250  4.128425E-01  2.526181E+00
    5.3750  4.087953E-01  2.671296E+00
    5.4250  4.260169E-01  2.825351E+00
    5.4750  4.243395E-01  2.981641E+00
    5.5250  4.411678E-01  3.147110E+00
    5.5750  4.443679E-01  3.316810E+00
    5.6250  4.619625E-01  3.496408E+00
    5.6750  4.703987E-01  3.682551E+00
    5.7250  4.905616E-01  3.880109E+00
    5.7750  4.778185E-01  4.075910E+00
    5.8250  4.903285E-01  4.280332E+00
    5.8750  4.910523E-01  4.488586E+00
    5.9250  5.298027E-01  4.717114E+00
    5.9750  5.204269E-01  4.945402E+00
    6.0250  5.476170E-01  5.189655E+00
    6.0750  5.481453E-01  5.438218E+00
    6.1250  5.568953E-01  5.694923E+00
    6.1750  5.683578E-01  5.961207E+00
    6.2250  5.681495E-01  6.231721E+00
    6.2750  5.807443E-01  6.512692E+00
    6.3250  6.035890E-01  6.809387E+00
    6.3750  5.786528E-01  7.098340E+00
    6.4250  5.781796E-01  7.391603E+00
    6.4750  5.954712E-01  7.698356E+00
    6.5250  5.891267E-01  8.006545E+00
    6.5750  6.095038E-01  8.330300E+00
    6.6250  6.220963E-01  8.665789E+00
    6.6750  6.131031E-01  9.001437E+00
    6.7250  6.281523E-01  9.350495E+00
    6.7750  6.310866E-01  9.706418E+00
    6.8250  6.243842E-01  1.006378E+01
    6.8750  6.124490E-01  1.041946E+01
    6.9250  6.305947E-01  1.079103E+01
    6.9750  6.366754E-01  1.117162E+01
    7.0250  6.512076E-01  1.156649E+01
    7.0750  6.363254E-01  1.195785E+01
    7.1250  6.468770E-01  1.236135E+01
    7.1750  6.407951E-01  1.276668E+01
    7.2250  6.559756E-01  1.318742E+01
    7.2750  6.460078E-01  1.360752E+01
    7.3250  6.513845E-01  1.403696E+01
    7.3750  6.452098E-01  1.446815E+01
    7.4250  6.411450E-01  1.490246E+01
    7.4750  6.570121E-01  1.535353E+01
    7.5250  6.577175E-01  1.581114E+01
    7.5750  6.609511E-01  1.627714E+01
    7.6250  6.602445E-01  1.674880E+01
    7.6750  6.599414E-01  1.722645E+01
    7.7250  6.507729E-01  1.770362E+01
    7.7750  6.583347E-01  1.819261E+01
    7.8250  6.380656E-01  1.867265E+01
    7.8750  6.669670E-01  1.918087E+01
    7.9250  6.730586E-01  1.970027E+01
    7.9750  6.570869E-01  2.021376E+01
    8.0250  6.718229E-01  2.074537E+01
    8.0750  6.677133E-01  2.128033E+01
    8.1250  6.731991E-01  2.182639E+01
    8.1750  6.603236E-01  2.236861E+01
    8.2250  6.761348E-01  2.293064E+01
    8.2750  6.875321E-01  2.350910E+01
    8.3250  6.821104E-01  2.408996E+01
    8.3750  6.983490E-01  2.469181E+01
    8.4250  6.965827E-01  2.529933E+01
    8.4750  7.065675E-01  2.592289E+01
    8.5250  7.219022E-01  2.656753E+01
    8.5750  7.181906E-01  2.721640E+01
    8.6250  7.286634E-01  2.788242E+01
    8.6750  7.257264E-01  2.855348E+01
    8.7250  7.325373E-01  2.923867E+01
    8.7750  7.599006E-01  2.995761E+01
    8.8250  7.553182E-01  3.068040E+01
    8.8750  7.717397E-01  3.142728E+01
    8.9250  7.850555E-01  3.219564E+01
    8.9750  8.019793E-01  3.298938E+01
    9.0250  7.983020E-01  3.378831E+01
    9.0750  7.967867E-01  3.459459E+01
    9.1250  8.110946E-01  3.542441E+01
    9.1750  7.954102E-01  3.624713E+01
    9.2250  8.010863E-01  3.708477E+01
    9.2750  8.237365E-01  3.795546E+01
    9.3250  8.268800E-01  3.883892E+01
    9.3750  8.310924E-01  3.973643E+01
    9.4250  8.264664E-01  4.063849E+01
    9.4750  8.435278E-01  4.156897E+01
    9.5250  8.482285E-01  4.251453E+01
    9.5750  8.425815E-01  4.346368E+01
    9.6250  8.509605E-01  4.443231E+01
    9.6750  8.602322E-01  4.542170E+01
    9.7250  8.626058E-01  4.642409E+01
    9.7750  8.692372E-01  4.744460E+01
    9.8250  8.597396E-01  4.846432E+01
    9.8750  8.658448E-01  4.950176E+01
    9.9250  8.609020E-01  5.054374E+01
    9.9750  8.605196E-01  5.159579E+01
   10.0250  8.667599E-01  5.266611E+01
   10.0750  8.737942E-01  5.375591E+01
   10.1250  8.653756E-01  5.484595E+01
   10.1750  8.721394E-01  5.595538E+01
   10.2250  8.736347E-01  5.707767E+01
   10.2750  8.655221E-01  5.820043E+01
   10.3250  8.784272E-01  5.935105E+01
   10.3750  8.812667E-01  6.051660E+01
   10.4250  8.799468E-01  6.169165E+01
   10.4750  8.815722E-01  6.288019E+01
   10.5250  8.722778E-01  6.406745E+01
   10.5750  8.904803E-01  6.529103E+01
   10.6250  8.901755E-01  6.652578E+01
   10.6750  8.890392E-01  6.777059E+01
   10.7250  8.917258E-01  6.903089E+01
   10.7750  8.979614E-01  7.031186E+01
   10.8250  8.936215E-01  7.159850E+01
   10.8750  9.149757E-01  7.292808E+01
   10.9250  9.177233E-01  7.427395E+01
   10.9750  9.119153E-01  7.562356E+01
   11.0250  9.198568E-01  7.699737E+01
   11.0750  9.181375E-01  7.838107E+01
   11.1250  9.259124E-01  7.978911E+01
   11.1750  9.292980E-01  8.121504E+01
   11.2250  9.319164E-01  8.265781E+01
   11.2750  9.091564E-01  8.407791E+01
   11.3250  9.419717E-01  8.556234E+01
   11.3750  9.220105E-01  8.702818E+01
   11.4250  9.264003E-01  8.851397E+01
   11.4750  9.271265E-01  9.001397E+01
   11.5250  9.471244E-01  9.155971E+01
   11.5750  9.388141E-01  9.310520E+01
   11.6250  9.418121E-01  9.466906E+01
   11.6750  9.415787E-01  9.624601E+01
   11.7250  9.620127E-01  9.787101E+01
   11.7750  9.709620E-01  9.952514E+01
   11.8250  9.527331E-01  1.011620E+02
   11.8750  9.535261E-01  1.028142E+02
   11.9250  9.640484E-01  1.044986E+02
   11.9750  9.606356E-01  1.061913E+02
   12.0250  9.715326E-01  1.079174E+02
   12.0750  9.658649E-01  1.096477E+02
   12.1250  9.728953E-01  1.114052E+02
   12.1750  9.703991E-01  1.131726E+02
   12.2250  9.888628E-01  1.149884E+02
   12.2750  9.808664E-01  1.168044E+02
   12.3250  9.883627E-01  1.186491E+02
   12.3750  9.866704E-01  1.205057E+02
   12.4250  9.916640E-01  1.223867E+02
   12.4750  9.958782E-01  1.242910E+02
   12.5250  1.007655E+00  1.262333E+02
   12.5750  9.896743E-01  1.281562E+02
   12.6250  1.001292E+00  1.301172E+02
   12.6750  1.000080E+00  1.320913E+02
   12.7250  1.009167E+00  1.340991E+02
   12.7750  1.025843E+00  1.361562E+02
   12.8250  1.019558E+00  1.382167E+02
   12.8750  1.020865E+00  1.402960E+02
   12.9250  1.004154E+00  1.423571E+02
   12.9750  1.030272E+00  1.444883E+02
   13.0250  1.029997E+00  1.466353E+02
   13.0750  1.025745E+00  1.487899E+02
   13.1250  1.046190E+00  1.510043E+02
   13.1750  1.040361E+00  1.532232E+02
   13.2250  1.038489E+00  1.554549E+02
   13.2750  1.043214E+00  1.577138E+02
   13.3250  1.044876E+00  1.599933E+02
   13.3750  1.032866E+00  1.622636E+02
   13.4250  1.042489E+00  1.645722E+02
   13.4750  1.048398E+00  1.669112E+02
   13.5250  1.046485E+00  1.692633E+02
   13.5750  1.049190E+00  1.716389E+02
   13.6250  1.043358E+00  1.740188E+02
   13.6750  1.044531E+00  1.764188E+02
   13.7250  1.036073E+00  1.788169E+02
   13.7750  1.040787E+00  1.812435E+02
   13.8250  1.041396E+00  1.836891E+02
   13.8750  1.032385E+00  1.861311E+02
   13.9250  1.041971E+00  1.886137E+02
   13.9750  1.059443E+00  1.911560E+02

g(r)  :OS      OS      

        r      g(r)         n(r)

    3.1750  0.000000E+00  0.000000E+00
    3.2250  0.000000E+00  0.000000E+00
    3.2750  1.586874E-01  1.596424E-04
    3.3250  1.539508E-01  3.192848E-04
    3.3750  7.471157E-01  1.117497E-03
    3.4250  2.901847E-01  1.436782E-03
    3.4750  7.047357E-01  2.234994E-03
    3.5250  4.109312E-01  2.713921E-03
    3.5750  2.130758E+00  5.268199E-03
    3.6250  2.331433E+00  8.141762E-03
    3.6750  2.646496E+00  1.149425E-02
    3.7250  2.698590E+00  1.500639E-02
    3.7750  3.463627E+00  1.963602E-02
    3.8250  5.235002E+00  2.681992E-02
    3.8750  5.780882E+00  3.496169E-02
    3.9250  8.065124E+00  4.661558E-02
    3.9750  8.725260E+00  5.954662E-02
    4.0250  9.455370E+00  7.391443E-02
    4.0750  1.168470E+01  9.211367E-02
    4.1250  1.300360E+01  1.128672E-01
    4.1750  1.493986E+01  1.372925E-01
    4.2250  1.706742E+01  1.658685E-01
    4.2750  1.508729E+01  1.917305E-01
    4.3250  1.774316E+01  2.228608E-01
    4.3750  1.556147E+01  2.507982E-01
    4.4250  1.451639E+01  2.774585E-01
    4.4750  1.742355E+01  3.101852E-01
    4.5250  1.587688E+01  3.406769E-01
    4.5750  1.788997E+01  3.757982E-01
    4.6250  1.607300E+01  4.080460E-01
    4.6750  1.744432E+01  4.438059E-01
    4.7250  1.517116E+01  4.755747E-01
    4.7750  1.478046E+01  5.071839E-01
    4.8250  1.498748E+01  5.399106E-01
    4.8750  1.489648E+01  5.731162E-01
    4.9250  1.606914E+01  6.096743E-01
    4.9750  1.698558E+01  6.491060E-01
    5.0250  1.873883E+01  6.934866E-01
    5.0750  2.028786E+01  7.424968E-01
    5.1250  1.918112E+01  7.897510E-01
    5.1750  2.237134E+01  8.459451E-01
    5.2250  2.450135E+01  9.086845E-01
    5.2750  2.318272E+01  9.691890E-01
    5.3250  2.545053E+01  1.036877E+00
    5.3750  2.350640E+01  1.100575E+00
    5.4250  2.781736E+01  1.177363E+00
    5.4750  2.447256E+01  1.246169E+00
    5.5250  2.258192E+01  1.310824E+00
    5.5750  2.590251E+01  1.386335E+00
    5.6250  2.442200E+01  1.458812E+00
    5.6750  2.557904E+01  1.536079E+00
    5.7250  2.175874E+01  1.602969E+00
    5.7750  2.638501E+01  1.685504E+00
    5.8250  2.588383E+01  1.767880E+00
    5.8750  2.465614E+01  1.847701E+00
    5.9250  2.700532E+01  1.936622E+00
    5.9750  2.650756E+01  2.025383E+00
    6.0250  2.766361E+01  2.119572E+00
    6.0750  2.716400E+01  2.213602E+00
    6.1250  2.413628E+01  2.298531E+00
    6.1750  2.039921E+01  2.371488E+00
    6.2250  1.989713E+01  2.443806E+00
    6.2750  1.547486E+01  2.500958E+00
    6.3250  1.123192E+01  2.543103E+00
    6.3750  1.101454E+01  2.585089E+00
    6.4250  9.854233E+00  2.623244E+00
    6.4750  8.241148E+00  2.655651E+00
    6.5250  6.476274E+00  2.681513E+00
    6.5750  4.133987E+00  2.698276E+00
    6.6250  4.537174E+00  2.716954E+00
    6.6750  3.972850E+00  2.733557E+00
    6.7250  2.634419E+00  2.744732E+00
    6.7750  2.595678E+00  2.755907E+00
    6.8250  2.411626E+00  2.766443E+00
    6.8750  2.376676E+00  2.776980E+00
    6.9250  2.094035E+00  2.786398E+00
    6.9750  2.204061E+00  2.796456E+00
    7.0250  2.655642E+00  2.808748E+00
    7.0750  2.618240E+00  2.821041E+00
    7.1250  2.615149E+00  2.833493E+00
    7.1750  1.752281E+00  2.841954E+00
    7.2250  1.760718E+00  2.850575E+00
    7.2750  1.704439E+00  2.859036E+00
    7.3250  1.617807E+00  2.867178E+00
    7.3750  1.533359E+00  2.875000E+00
    7.4250  1.543650E+00  2.882982E+00
    7.4750  1.888605E+00  2.892880E+00
    7.5250  1.833532E+00  2.902618E+00
    7.5750  1.690758E+00  2.911718E+00
    7.6250  1.522283E+00  2.920019E+00
    7.6750  1.589197E+00  2.928799E+00
    7.7250  1.882430E+00  2.939336E+00
    7.7750  2.562197E+00  2.953863E+00
    7.8250  3.419072E+00  2.973499E+00
    7.8750  4.199158E+00  2.997925E+00
    7.9250  4.146339E+00  3.022350E+00
    7.9750  5.405824E+00  3.054598E+00
    8.0250  5.523676E+00  3.087963E+00
    8.0750  5.324969E+00  3.120530E+00
    8.1250  5.826848E+00  3.156609E+00
    8.1750  7.105599E+00  3.201149E+00
    8.2250  6.591762E+00  3.242976E+00
    8.2750  6.412919E+00  3.284163E+00
    8.3250  5.795829E+00  3.321839E+00
    8.3750  6.746014E+00  3.366220E+00
    8.4250  7.073825E+00  3.413314E+00
    8.4750  6.706241E+00  3.458493E+00
    8.5250  7.119622E+00  3.507024E+00
    8.5750  7.083131E+00  3.555875E+00
    8.6250  7.710523E+00  3.609674E+00
    8.6750  7.146942E+00  3.660121E+00
    8.7250  7.467716E+00  3.713442E+00
    8.7750  6.609204E+00  3.761175E+00
    8.8250  7.408708E+00  3.815294E+00
    8.8750  6.763630E+00  3.865262E+00
    8.9250  7.457293E+00  3.920977E+00
    8.9750  6.571488E+00  3.970626E+00
    9.0250  6.331702E+00  4.018997E+00
    9.0750  6.448127E+00  4.068806E+00
    9.1250  5.621332E+00  4.112708E+00
    9.1750  5.984830E+00  4.159962E+00
    9.2250  5.540122E+00  4.204183E+00
    9.2750  4.629780E+00  4.241539E+00
    9.3250  4.012624E+00  4.274266E+00
    9.3750  3.795647E+00  4.305556E+00
    9.4250  3.448912E+00  4.334291E+00
    9.4750  3.223019E+00  4.361430E+00
    9.5250  3.508197E+00  4.391284E+00
    9.5750  3.341699E+00  4.420019E+00
    9.6250  3.601032E+00  4.451309E+00
    9.6750  3.200244E+00  4.479406E+00
    9.7250  2.807487E+00  4.504310E+00
    9.7750  2.814466E+00  4.529534E+00
    9.8250  2.662467E+00  4.553640E+00
    9.8750  2.077042E+00  4.572637E+00
    9.9250  2.021610E+00  4.591315E+00
    9.9750  1.864546E+00  4.608716E+00
   10.0250  1.727444E+00  4.625000E+00
   10.0750  1.727108E+00  4.641443E+00
   10.1250  1.909327E+00  4.659802E+00
   10.1750  1.775528E+00  4.677043E+00
   10.2250  1.774485E+00  4.694444E+00
   10.2750  1.531554E+00  4.709610E+00
   10.3250  1.979767E+00  4.729406E+00
   10.3750  1.770983E+00  4.747286E+00
   10.4250  1.644408E+00  4.764049E+00
   10.4750  1.147879E+00  4.775862E+00
   10.5250  1.352107E+00  4.789911E+00
   10.5750  8.827542E-01  4.799170E+00
   10.6250  9.046195E-01  4.808748E+00
   10.6750  7.468043E-01  4.816731E+00
   10.7250  7.990459E-01  4.825351E+00
   10.7750  5.277649E-01  4.831098E+00
   10.8250  5.229008E-01  4.836845E+00
   10.8750  6.332377E-01  4.843870E+00
   10.9250  4.420704E-01  4.848819E+00
   10.9750  5.369665E-01  4.854885E+00
   11.0250  4.340873E-01  4.859834E+00
   11.0750  4.579300E-01  4.865102E+00
   11.1250  4.675752E-01  4.870530E+00
   11.1750  4.361416E-01  4.875639E+00
   11.2250  4.862980E-01  4.881386E+00
   11.2750  3.748846E-01  4.885856E+00
   11.3250  6.768094E-01  4.893997E+00
   11.3750  5.261746E-01  4.900383E+00
   11.4250  5.606976E-01  4.907248E+00
   11.4750  6.204525E-01  4.914911E+00
   11.5250  6.150806E-01  4.922573E+00
   11.5750  4.446300E-01  4.928161E+00
   11.6250  5.037868E-01  4.934547E+00
   11.6750  3.371496E-01  4.938857E+00
   11.7250  2.847573E-01  4.942529E+00
   11.7750  3.437233E-01  4.946999E+00
   11.8250  2.921337E-01  4.950830E+00
   11.8750  3.017488E-01  4.954821E+00
   11.9250  2.633168E-01  4.958333E+00
   11.9750  2.729918E-01  4.962005E+00
   12.0250  2.236434E-01  4.965038E+00
   12.0750  1.517546E-01  4.967114E+00
   12.1250  1.736603E-01  4.969508E+00
   12.1750  2.755790E-01  4.973340E+00
   12.2250  3.188842E-01  4.977810E+00
   12.2750  3.162917E-01  4.982280E+00
   12.3250  2.016840E-01  4.985153E+00
   12.3750  2.111718E-01  4.988186E+00
   12.4250  2.756259E-01  4.992178E+00
   12.4750  1.531157E-01  4.994413E+00
   12.5250  6.509814E-02  4.995370E+00
   12.5750  6.458149E-02  4.996328E+00
   12.6250  4.271398E-02  4.996967E+00
   12.6750  2.118882E-02  4.997286E+00
   12.7250  3.153396E-02  4.997765E+00
   12.7750  5.214600E-02  4.998563E+00
   12.8250  4.139216E-02  4.999202E+00
   12.8750  2.053564E-02  4.999521E+00
   12.9250  2.037707E-02  4.999840E+00
   12.9750  1.011016E-02  5.000000E+00
   13.0250  0.000000E+00  5.000000E+00
   13.0750  0.000000E+00  5.000000E+00
   13.1250  0.000000E+00  5.000000E+00
   13.1750  0.000000E+00  5.000000E+00
   13.2250  0.000000E+00  5.000000E+00
   13.2750  0.000000E+00  5.000000E+00
   13.3250  0.000000E+00  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :OS      Oe      

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  1.283439E-01  7.982120E-05
    2.6250  4.940053E-01  3.991060E-04
    2.6750  8.324942E-01  9.578544E-04
    2.7250  1.031432E+00  1.676245E-03
    2.7750  1.436643E+00  2.713921E-03
    2.8250  2.452579E+00  4.549808E-03
    2.8750  3.088716E+00  6.944444E-03
    2.9250  5.371243E+00  1.125479E-02
    2.9750  6.826806E+00  1.692209E-02
    3.0250  9.485995E+00  2.506386E-02
    3.0750  9.180022E+00  3.320562E-02
    3.1250  1.028291E+01  4.262452E-02
    3.1750  1.173442E+01  5.371967E-02
    3.2250  1.431902E+01  6.768838E-02
    3.2750  1.602742E+01  8.381226E-02
    3.3250  1.593391E+01  1.003352E-01
    3.3750  1.554001E+01  1.169381E-01
    3.4250  1.842673E+01  1.372126E-01
    3.4750  1.642034E+01  1.558110E-01
    3.5250  1.527294E+01  1.736111E-01
    3.5750  1.711265E+01  1.941252E-01
    3.6250  1.774480E+01  2.159962E-01
    3.6750  1.751728E+01  2.381865E-01
    3.7250  1.778616E+01  2.613346E-01
    3.7750  1.457112E+01  2.808110E-01
    3.8250  1.646117E+01  3.034004E-01
    3.8750  1.439553E+01  3.236750E-01
    3.9250  1.474923E+01  3.449872E-01
    3.9750  1.890473E+01  3.730045E-01
    4.0250  1.885821E+01  4.016603E-01
    4.0750  1.937200E+01  4.318327E-01
    4.1250  1.905527E+01  4.622446E-01
    4.1750  1.948041E+01  4.940932E-01
    4.2250  1.964184E+01  5.269796E-01
    4.2750  2.020952E+01  5.616220E-01
    4.3250  2.206521E+01  6.003352E-01
    4.3750  2.263082E+01  6.409642E-01
    4.4250  2.220921E+01  6.817529E-01
    4.4750  2.167320E+01  7.224617E-01
    4.5250  2.202813E+01  7.647669E-01
    4.5750  1.915040E+01  8.023627E-01
    4.6250  1.758482E+01  8.376437E-01
    4.6750  1.658768E+01  8.716475E-01
    4.7250  1.669590E+01  9.066092E-01
    4.7750  1.522835E+01  9.391762E-01
    4.8250  1.531648E+01  9.726213E-01
    4.8750  1.586332E+01  1.007982E+00
    4.9250  1.656034E+01  1.045658E+00
    4.9750  1.671051E+01  1.084451E+00
    5.0250  1.749182E+01  1.125878E+00
    5.0750  1.764449E+01  1.168503E+00
    5.1250  1.966712E+01  1.216954E+00
    5.1750  2.081424E+01  1.269237E+00
    5.2250  1.976318E+01  1.319844E+00
    5.2750  1.997139E+01  1.371967E+00
    5.3250  1.890782E+01  1.422254E+00
    5.3750  1.891117E+01  1.473499E+00
    5.4250  2.055940E+01  1.530252E+00
    5.4750  2.089536E+01  1.589001E+00
    5.5250  2.132737E+01  1.650064E+00
    5.5750  2.132987E+01  1.712245E+00
    5.6250  2.108684E+01  1.774824E+00
    5.6750  1.995059E+01  1.835089E+00
    5.7250  2.004504E+01  1.896711E+00
    5.7750  1.959737E+01  1.958014E+00
    5.8250  1.971385E+01  2.020754E+00
    5.8750  1.762914E+01  2.077826E+00
    5.9250  1.638743E+01  2.131785E+00
    5.9750  1.594745E+01  2.185185E+00
    6.0250  1.512121E+01  2.236670E+00
    6.0750  1.374341E+01  2.284243E+00
    6.1250  1.308894E+01  2.330300E+00
    6.1750  1.345812E+01  2.378432E+00
    6.2250  1.324279E+01  2.426564E+00
    6.2750  1.203840E+01  2.471025E+00
    6.3250  1.184882E+01  2.515485E+00
    6.3750  1.055386E+01  2.555715E+00
    6.4250  9.380075E+00  2.592034E+00
    6.4750  8.322341E+00  2.624761E+00
    6.5250  8.675009E+00  2.659403E+00
    6.5750  8.819171E+00  2.695163E+00
    6.6250  8.725334E+00  2.731082E+00
    6.6750  8.614208E+00  2.767082E+00
    6.7250  7.639815E+00  2.799489E+00
    6.7750  7.546007E+00  2.831976E+00
    6.8250  7.965675E+00  2.866778E+00
    6.8750  7.706192E+00  2.900942E+00
    6.9250  7.737282E+00  2.935744E+00
    6.9750  7.661736E+00  2.970706E+00
    7.0250  8.260083E+00  3.008940E+00
    7.0750  7.327671E+00  3.043343E+00
    7.1250  8.063376E+00  3.081737E+00
    7.1750  8.149758E+00  3.121089E+00
    7.2250  7.760199E+00  3.159084E+00
    7.2750  6.721279E+00  3.192449E+00
    7.3250  7.660790E+00  3.231003E+00
    7.3750  6.681062E+00  3.265086E+00
    7.4250  6.900115E+00  3.300766E+00
    7.4750  7.615341E+00  3.340677E+00
    7.5250  7.484419E+00  3.380428E+00
    7.5750  7.222798E+00  3.419301E+00
    7.6250  7.860251E+00  3.462165E+00
    7.6750  7.281412E+00  3.502395E+00
    7.7250  6.945025E+00  3.541268E+00
    7.7750  7.081236E+00  3.581418E+00
    7.8250  6.852044E+00  3.620769E+00
    7.8750  6.929983E+00  3.661079E+00
    7.9250  6.463411E+00  3.699154E+00
    7.9750  6.717138E+00  3.739224E+00
    8.0250  6.224046E+00  3.776820E+00
    8.0750  5.703459E+00  3.811702E+00
    8.1250  6.007326E+00  3.848898E+00
    8.1750  4.966279E+00  3.880029E+00
    8.2250  4.893503E+00  3.911079E+00
    8.2750  4.399561E+00  3.939336E+00
    8.3250  4.653854E+00  3.969588E+00
    8.3750  3.858332E+00  3.994971E+00
    8.4250  4.004504E+00  4.021632E+00
    8.4750  3.329423E+00  4.044061E+00
    8.5250  3.782299E+00  4.069844E+00
    8.5750  2.962879E+00  4.090278E+00
    8.6250  3.775182E+00  4.116619E+00
    8.6750  3.155058E+00  4.138889E+00
    8.7250  3.051926E+00  4.160680E+00
    8.7750  3.216184E+00  4.183908E+00
    8.8250  3.190771E+00  4.207216E+00
    8.8750  2.819980E+00  4.228049E+00
    8.9250  2.564112E+00  4.247206E+00
    8.9750  2.704664E+00  4.267640E+00
    9.0250  2.622537E+00  4.287676E+00
    9.0750  2.438715E+00  4.306513E+00
    9.1250  2.626695E+00  4.327027E+00
    9.1750  2.537487E+00  4.347063E+00
    9.2250  2.810062E+00  4.369492E+00
    9.2750  2.502851E+00  4.389687E+00
    9.3250  2.926280E+00  4.413554E+00
    9.3750  2.575618E+00  4.434786E+00
    9.4250  2.577104E+00  4.456258E+00
    9.4750  2.531018E+00  4.477570E+00
    9.5250  2.617078E+00  4.499840E+00
    9.5750  2.172104E+00  4.518519E+00
    9.6250  2.030174E+00  4.536159E+00
    9.6750  1.900145E+00  4.552842E+00
    9.7250  1.763678E+00  4.568487E+00
    9.7750  1.683336E+00  4.583573E+00
    9.8250  1.622165E+00  4.598260E+00
    9.8750  1.719232E+00  4.613985E+00
    9.9250  1.667396E+00  4.629390E+00
    9.9750  1.607957E+00  4.644397E+00
   10.0250  1.320986E+00  4.656849E+00
   10.0750  1.274371E+00  4.668981E+00
   10.1250  1.212007E+00  4.680635E+00
   10.1750  1.348086E+00  4.693726E+00
   10.2250  1.204696E+00  4.705540E+00
   10.2750  1.201061E+00  4.717433E+00
   10.3250  1.109627E+00  4.728528E+00
   10.3750  1.178020E+00  4.740421E+00
   10.4250  1.119764E+00  4.751836E+00
   10.4750  1.039296E+00  4.762532E+00
   10.5250  1.144681E+00  4.774425E+00
   10.5750  1.126273E+00  4.786239E+00
   10.6250  1.130774E+00  4.798212E+00
   10.6750  9.932497E-01  4.808828E+00
   10.7250  1.072793E+00  4.820402E+00
   10.7750  8.796082E-01  4.829981E+00
   10.8250  8.134012E-01  4.838921E+00
   10.8750  7.699594E-01  4.847462E+00
   10.9250  8.057089E-01  4.856481E+00
   10.9750  7.277308E-01  4.864703E+00
   11.0250  5.741155E-01  4.871248E+00
   11.0750  6.036350E-01  4.878193E+00
   11.1250  5.157080E-01  4.884179E+00
   11.1750  5.042888E-01  4.890086E+00
   11.2250  4.255107E-01  4.895115E+00
   11.2750  3.280240E-01  4.899026E+00
   11.3250  3.052278E-01  4.902698E+00
   11.3750  1.973155E-01  4.905093E+00
   11.4250  2.086317E-01  4.907647E+00
   11.4750  2.068175E-01  4.910201E+00
   11.5250  2.370623E-01  4.913155E+00
   11.5750  2.159631E-01  4.915868E+00
   11.6250  3.085694E-01  4.919780E+00
   11.6750  2.372534E-01  4.922813E+00
   11.7250  1.919016E-01  4.925287E+00
   11.7750  2.332408E-01  4.928321E+00
   11.8250  3.164782E-01  4.932471E+00
   11.8750  3.198537E-01  4.936702E+00
   11.9250  2.453634E-01  4.939974E+00
   11.9750  2.373841E-01  4.943167E+00
   12.0250  2.530702E-01  4.946600E+00
   12.0750  1.809382E-01  4.949074E+00
   12.1250  1.910263E-01  4.951708E+00
   12.1750  1.952018E-01  4.954422E+00
   12.2250  2.049970E-01  4.957296E+00
   12.2750  1.299055E-01  4.959132E+00
   12.3250  1.400583E-01  4.961127E+00
   12.3750  1.000288E-01  4.962564E+00
   12.4250  6.615021E-02  4.963522E+00
   12.4750  1.312420E-01  4.965437E+00
   12.5250  1.084969E-01  4.967034E+00
   12.5750  8.072686E-02  4.968231E+00
   12.6250  1.228027E-01  4.970067E+00
   12.6750  1.801050E-01  4.972781E+00
   12.7250  1.892037E-01  4.975655E+00
   12.7750  1.303650E-01  4.977650E+00
   12.8250  1.810907E-01  4.980444E+00
   12.8750  1.642852E-01  4.982998E+00
   12.9250  1.273567E-01  4.984994E+00
   12.9750  9.604653E-02  4.986510E+00
   13.0250  1.053432E-01  4.988186E+00
   13.0750  8.462689E-02  4.989543E+00
   13.1250  5.434216E-02  4.990421E+00
   13.1750  4.902771E-02  4.991220E+00
   13.2250  6.812077E-02  4.992337E+00
   13.2750  1.062421E-01  4.994093E+00
   13.3250  1.006532E-01  4.995769E+00
   13.3750  8.087312E-02  4.997126E+00
   13.4250  4.721873E-02  4.997925E+00
   13.4750  4.218206E-02  4.998643E+00
   13.5250  3.256615E-02  4.999202E+00
   13.5750  2.309049E-02  4.999601E+00
   13.6250  1.833707E-02  4.999920E+00
   13.6750  4.550805E-03  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :OS      O       

        r      g(r)         n(r)

    2.4250  0.000000E+00  0.000000E+00
    2.4750  0.000000E+00  0.000000E+00
    2.5250  4.004310E-01  2.394636E-04
    2.5750  6.417195E-01  6.385696E-04
    2.6250  1.605517E+00  1.676245E-03
    2.6750  3.448904E+00  3.991060E-03
    2.7250  6.417800E+00  8.461047E-03
    2.7750  8.509350E+00  1.460728E-02
    2.8250  1.258280E+01  2.402618E-02
    2.8750  1.544358E+01  3.599936E-02
    2.9250  1.760574E+01  5.012771E-02
    2.9750  1.980735E+01  6.657088E-02
    3.0250  1.971599E+01  8.349298E-02
    3.0750  2.286006E+01  1.037676E-01
    3.1250  2.431298E+01  1.260377E-01
    3.1750  2.600145E+01  1.506226E-01
    3.2250  2.397413E+01  1.740102E-01
    3.2750  2.467588E+01  1.988346E-01
    3.3250  2.547885E+01  2.252554E-01
    3.3750  2.480424E+01  2.517561E-01
    3.4250  2.705972E+01  2.815294E-01
    3.4750  2.501812E+01  3.098659E-01
    3.5250  2.308063E+01  3.367656E-01
    3.5750  2.277248E+01  3.640645E-01
    3.6250  2.007623E+01  3.888091E-01
    3.6750  1.915559E+01  4.130747E-01
    3.7250  1.760217E+01  4.359834E-01
    3.7750  1.672096E+01  4.583333E-01
    3.8250  1.721734E+01  4.819604E-01
    3.8750  1.513231E+01  5.032727E-01
    3.9250  1.513592E+01  5.251437E-01
    3.9750  1.400350E+01  5.458972E-01
    4.0250  1.386788E+01  5.669700E-01
    4.0750  1.337591E+01  5.878033E-01
    4.1250  1.270351E+01  6.080779E-01
    4.1750  1.181519E+01  6.273946E-01
    4.2250  1.206161E+01  6.475894E-01
    4.2750  1.182769E+01  6.678640E-01
    4.3250  1.110085E+01  6.873404E-01
    4.3750  1.093749E+01  7.069764E-01
    4.4250  1.251713E+01  7.299649E-01
    4.4750  1.223898E+01  7.529534E-01
    4.5250  1.408969E+01  7.800128E-01
    4.5750  1.593833E+01  8.113027E-01
    4.6250  1.372571E+01  8.388410E-01
    4.6750  1.662662E+01  8.729246E-01
    4.7250  1.761074E+01  9.098020E-01
    4.7750  1.966995E+01  9.518678E-01
    4.8250  2.394342E+01  1.004151E+00
    4.8750  2.603303E+01  1.062181E+00
    4.9250  2.578781E+01  1.120849E+00
    4.9750  2.362165E+01  1.175686E+00
    5.0250  1.880623E+01  1.220227E+00
    5.0750  1.599238E+01  1.258860E+00
    5.1250  1.276581E+01  1.290310E+00
    5.1750  1.217077E+01  1.320881E+00
    5.2250  1.228185E+01  1.352331E+00
    5.2750  1.220304E+01  1.384179E+00
    5.3250  9.333861E+00  1.409004E+00
    5.3750  7.894381E+00  1.430396E+00
    5.4250  7.489289E+00  1.451070E+00
    5.4750  7.608638E+00  1.472462E+00
    5.5250  6.440029E+00  1.490900E+00
    5.5750  7.119083E+00  1.511654E+00
    5.6250  7.369636E+00  1.533525E+00
    5.6750  7.134649E+00  1.555077E+00
    5.7250  6.231619E+00  1.574234E+00
    5.7750  6.838667E+00  1.595626E+00
    5.8250  6.445876E+00  1.616140E+00
    5.8750  4.906571E+00  1.632024E+00
    5.9250  4.993802E+00  1.648467E+00
    5.9750  4.648359E+00  1.664033E+00
    6.0250  4.313647E+00  1.678720E+00
    6.0750  5.188369E+00  1.696679E+00
    6.1250  5.240114E+00  1.715118E+00
    6.1750  5.802838E+00  1.735872E+00
    6.2250  4.809572E+00  1.753352E+00
    6.2750  5.122264E+00  1.772270E+00
    6.3250  5.679777E+00  1.793582E+00
    6.3750  5.465391E+00  1.814416E+00
    6.4250  5.071425E+00  1.834052E+00
    6.4750  5.947429E+00  1.857439E+00
    6.5250  5.476849E+00  1.879310E+00
    6.5750  5.689153E+00  1.902379E+00
    6.6250  5.991396E+00  1.927043E+00
    6.6750  6.532282E+00  1.954342E+00
    6.7250  6.303788E+00  1.981082E+00
    6.7750  6.470655E+00  2.008940E+00
    6.8250  7.563738E+00  2.041986E+00
    6.8750  7.580156E+00  2.075591E+00
    6.9250  7.879250E+00  2.111031E+00
    6.9750  7.241915E+00  2.144077E+00
    7.0250  7.777239E+00  2.180077E+00
    7.0750  7.667702E+00  2.216076E+00
    7.1250  7.593991E+00  2.252235E+00
    7.1750  8.166289E+00  2.291667E+00
    7.2250  7.988441E+00  2.330779E+00
    7.2750  8.666913E+00  2.373803E+00
    7.3250  9.088266E+00  2.419540E+00
    7.3750  1.043623E+01  2.472781E+00
    7.4250  1.049682E+01  2.527059E+00
    7.4750  1.172763E+01  2.588522E+00
    7.5250  1.092605E+01  2.646552E+00
    7.5750  1.098992E+01  2.705699E+00
    7.6250  1.037787E+01  2.762292E+00
    7.6750  1.027199E+01  2.819045E+00
    7.7250  1.045319E+01  2.877554E+00
    7.7750  9.361872E+00  2.930635E+00
    7.8250  9.603980E+00  2.985792E+00
    7.8750  9.304017E+00  3.039911E+00
    7.9250  9.200537E+00  3.094109E+00
    7.9750  8.229163E+00  3.143199E+00
    8.0250  8.721593E+00  3.195881E+00
    8.0750  9.566672E+00  3.254390E+00
    8.1250  9.939159E+00  3.315932E+00
    8.1750  9.410462E+00  3.374920E+00
    8.2250  9.044803E+00  3.432312E+00
    8.2750  8.289568E+00  3.485552E+00
    8.3250  9.013006E+00  3.544141E+00
    8.3750  8.675180E+00  3.601213E+00
    8.4250  8.308747E+00  3.656529E+00
    8.4750  7.843695E+00  3.709371E+00
    8.5250  6.920553E+00  3.756545E+00
    8.5750  5.867888E+00  3.797015E+00
    8.6250  5.525494E+00  3.835568E+00
    8.6750  5.710769E+00  3.875878E+00
    8.7250  5.120080E+00  3.912436E+00
    8.7750  5.061898E+00  3.948994E+00
    8.8250  4.436483E+00  3.981402E+00
    8.8750  4.386635E+00  4.013809E+00
    8.9250  3.867536E+00  4.042704E+00
    8.9750  3.296309E+00  4.067609E+00
    9.0250  3.270334E+00  4.092593E+00
    9.0750  2.852056E+00  4.114623E+00
    9.1250  3.076402E+00  4.138649E+00
    9.1750  2.557706E+00  4.158844E+00
    9.2250  2.430053E+00  4.178241E+00
    9.2750  2.403924E+00  4.197637E+00
    9.3250  2.260771E+00  4.216076E+00
    9.3750  2.285135E+00  4.234914E+00
    9.4250  1.772358E+00  4.249681E+00
    9.4750  1.810578E+00  4.264927E+00
    9.5250  1.688437E+00  4.279294E+00
    9.5750  1.819369E+00  4.294939E+00
    9.6250  1.524927E+00  4.308190E+00
    9.6750  1.881962E+00  4.324713E+00
    9.7250  1.574712E+00  4.338681E+00
    9.7750  1.986158E+00  4.356481E+00
    9.8250  1.948362E+00  4.374122E+00
    9.8750  1.736686E+00  4.390006E+00
    9.9250  1.892019E+00  4.407487E+00
    9.9750  1.890205E+00  4.425128E+00
   10.0250  1.989947E+00  4.443886E+00
   10.0750  2.288838E+00  4.465677E+00
   10.1250  2.166671E+00  4.486510E+00
   10.1750  1.890608E+00  4.504869E+00
   10.2250  1.611688E+00  4.520674E+00
   10.2750  1.668588E+00  4.537197E+00
   10.3250  1.620535E+00  4.553400E+00
   10.3750  1.739358E+00  4.570961E+00
   10.4250  1.597425E+00  4.587245E+00
   10.4750  1.589968E+00  4.603608E+00
   10.5250  1.475026E+00  4.618934E+00
   10.5750  1.369791E+00  4.633301E+00
   10.6250  1.251390E+00  4.646552E+00
   10.6750  1.179951E+00  4.659163E+00
   10.7250  1.013605E+00  4.670099E+00
   10.7750  1.077520E+00  4.681833E+00
   10.8250  1.024014E+00  4.693087E+00
   10.8750  1.115362E+00  4.705460E+00
   10.9250  9.839631E-01  4.716475E+00
   10.9750  8.407764E-01  4.725974E+00
   11.0250  8.611733E-01  4.735792E+00
   11.0750  9.158600E-01  4.746328E+00
   11.1250  8.388850E-01  4.756066E+00
   11.1750  8.790980E-01  4.766363E+00
   11.2250  7.497094E-01  4.775223E+00
   11.2750  9.372115E-01  4.786398E+00
   11.3250  7.829756E-01  4.795817E+00
   11.3750  9.142283E-01  4.806913E+00
   11.4250  8.997241E-01  4.817928E+00
   11.4750  8.208069E-01  4.828065E+00
   11.5250  6.855586E-01  4.836606E+00
   11.5750  7.495191E-01  4.846025E+00
   11.6250  6.297335E-01  4.854007E+00
   11.6750  6.805428E-01  4.862708E+00
   11.7250  5.571338E-01  4.869891E+00
   11.7750  5.033090E-01  4.876437E+00
   11.8250  5.781813E-01  4.884020E+00
   11.8750  5.190079E-01  4.890884E+00
   11.9250  4.009597E-01  4.896232E+00
   11.9750  3.145340E-01  4.900463E+00
   12.0250  2.824970E-01  4.904294E+00
   12.0750  4.027333E-01  4.909802E+00
   12.1250  2.662791E-01  4.913474E+00
   12.1750  2.640965E-01  4.917146E+00
   12.2250  2.562463E-01  4.920738E+00
   12.2750  2.767552E-01  4.924649E+00
   12.3250  2.184910E-01  4.927762E+00
   12.3750  2.500719E-01  4.931354E+00
   12.4250  2.039632E-01  4.934307E+00
   12.4750  3.226366E-01  4.939017E+00
   12.5250  3.146410E-01  4.943646E+00
   12.5750  2.798531E-01  4.947797E+00
   12.6250  1.975521E-01  4.950750E+00
   12.6750  2.595631E-01  4.954662E+00
   12.7250  2.522717E-01  4.958493E+00
   12.7750  1.825110E-01  4.961287E+00
   12.8250  2.380049E-01  4.964958E+00
   12.8750  1.694191E-01  4.967593E+00
   12.9250  1.222624E-01  4.969508E+00
   12.9750  1.718727E-01  4.972222E+00
   13.0250  1.605230E-01  4.974777E+00
   13.0750  1.294294E-01  4.976852E+00
   13.1250  1.877275E-01  4.979885E+00
   13.1750  1.470831E-01  4.982280E+00
   13.2250  1.265100E-01  4.984355E+00
   13.2750  1.110712E-01  4.986191E+00
   13.3250  1.006532E-01  4.987867E+00
   13.3750  1.189311E-01  4.989863E+00
   13.4250  1.605437E-01  4.992577E+00
   13.4750  7.030344E-02  4.993774E+00
   13.5250  9.304613E-02  4.995370E+00
   13.5750  8.312577E-02  4.996807E+00
   13.6250  6.876400E-02  4.998004E+00
   13.6750  3.185563E-02  4.998563E+00
   13.7250  3.614167E-02  4.999202E+00
   13.7750  2.242486E-02  4.999601E+00
   13.8250  1.781036E-02  4.999920E+00
   13.8750  4.420556E-03  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :OS      K       

        r      g(r)         n(r)

    3.8750  0.000000E+00  0.000000E+00
    3.9250  0.000000E+00  0.000000E+00
    3.9750  9.575046E-02  7.982120E-05
    4.0250  3.735455E-01  3.991060E-04
    4.0750  9.110877E-02  4.789272E-04
    4.1250  1.778270E-01  6.385696E-04
    4.1750  7.811694E-01  1.356960E-03
    4.2250  5.085265E-01  1.835888E-03
    4.2750  6.622678E-01  2.474457E-03
    4.3250  4.852829E-01  2.953384E-03
    4.3750  1.659890E+00  4.629630E-03
    4.4250  2.008922E+00  6.704981E-03
    4.4750  4.004111E+00  1.093550E-02
    4.5250  5.911113E+00  1.732120E-02
    4.5750  5.782615E+00  2.370690E-02
    4.6250  8.275210E+00  3.304598E-02
    4.6750  7.960701E+00  4.222542E-02
    4.7250  7.318750E+00  5.084610E-02
    4.7750  8.095244E+00  6.058429E-02
    4.8250  7.018529E+00  6.920498E-02
    4.8750  8.976084E+00  8.045977E-02
    4.9250  7.859143E+00  9.051724E-02
    4.9750  7.335205E+00  1.000958E-01
    5.0250  6.590795E+00  1.088761E-01
    5.0750  5.462962E+00  1.162995E-01
    5.1250  5.126485E+00  1.234036E-01
    5.1750  4.914915E+00  1.303480E-01
    5.2250  3.879207E+00  1.359355E-01
    5.2750  4.132247E+00  1.420019E-01
    5.3250  3.841589E+00  1.477490E-01
    5.3750  4.922533E+00  1.552522E-01
    5.4250  3.752677E+00  1.610792E-01
    5.4750  3.734920E+00  1.669860E-01
    5.5250  3.419813E+00  1.724936E-01
    5.5750  3.894199E+00  1.788793E-01
    5.6250  3.825277E+00  1.852650E-01
    5.6750  3.382352E+00  1.910121E-01
    5.7250  3.138889E+00  1.964400E-01
    5.7750  2.812586E+00  2.013889E-01
    5.8250  3.388753E+00  2.074553E-01
    5.8750  2.849153E+00  2.126437E-01
    5.9250  2.068630E+00  2.164751E-01
    5.9750  1.907019E+00  2.200670E-01
    6.0250  1.625432E+00  2.231801E-01
    6.0750  1.311825E+00  2.257344E-01
    6.1250  1.129183E+00  2.279693E-01
    6.1750  9.522605E-01  2.298851E-01
    6.2250  9.760674E-01  2.318806E-01
    6.2750  8.837286E-01  2.337165E-01
    6.3250  6.429045E-01  2.350734E-01
    6.3750  6.700863E-01  2.365102E-01
    6.4250  5.863978E-01  2.377874E-01
    6.4750  3.969464E-01  2.386654E-01
    6.5250  3.553511E-01  2.394636E-01
    6.5750  2.449770E-01  2.400223E-01
    6.6250  1.723523E-01  2.404215E-01
    6.6750  1.358239E-01  2.407407E-01
    6.7250  4.348882E-01  2.417784E-01
    6.7750  6.262588E-01  2.432950E-01
    6.8250  1.104314E+00  2.460089E-01
    6.8750  7.042003E-01  2.477650E-01
    6.9250  7.887137E-01  2.497605E-01
    6.9750  6.841530E-01  2.515166E-01
    7.0250  3.678812E-01  2.524745E-01
    7.0750  5.138248E-01  2.538314E-01
    7.1250  1.192091E-01  2.541507E-01
    7.1750  8.816506E-02  2.543902E-01
    7.2250  1.449150E-01  2.547893E-01
    7.2750  1.143439E-01  2.551086E-01
    7.3250  1.409853E-01  2.555077E-01
    7.3750  3.616084E-01  2.565453E-01
    7.4250  4.939680E-01  2.579821E-01
    7.4750  4.061515E-01  2.591794E-01
    7.5250  2.671814E-01  2.599777E-01
    7.5750  2.636659E-01  2.607759E-01
    7.6250  4.163510E-01  2.620530E-01
    7.6750  5.393638E-01  2.637292E-01
    7.7250  5.324044E-01  2.654055E-01
    7.7750  5.506064E-01  2.671616E-01
    7.8250  4.447574E-01  2.685983E-01
    7.8750  6.830874E-01  2.708333E-01
    7.9250  6.744952E-01  2.730683E-01
    7.9750  5.471241E-01  2.749042E-01
    8.0250  6.108052E-01  2.769796E-01
    8.0750  5.336570E-01  2.788155E-01
    8.1250  5.041914E-01  2.805715E-01
    8.1750  4.527662E-01  2.821679E-01
    8.2250  3.354586E-01  2.833653E-01
    8.2750  3.977004E-01  2.848020E-01
    8.3250  5.239168E-01  2.867178E-01
    8.3750  2.804099E-01  2.877554E-01
    8.4250  2.557767E-01  2.887133E-01
    8.4750  4.844712E-01  2.905492E-01
    8.5250  2.498113E-01  2.915070E-01
    8.5750  2.880576E-01  2.926245E-01
    8.6250  3.457406E-01  2.939815E-01
    8.6750  4.623901E-01  2.958174E-01
    8.7250  6.160990E-01  2.982918E-01
    8.7750  4.715597E-01  3.002075E-01
    8.8250  6.022155E-01  3.026820E-01
    8.8750  3.457447E-01  3.041188E-01
    8.9250  6.457764E-01  3.068327E-01
    8.9750  4.507773E-01  3.087484E-01
    9.0250  6.686946E-01  3.116220E-01
    9.0750  7.164586E-01  3.147350E-01
    9.1250  7.631384E-01  3.180875E-01
    9.1750  5.212015E-01  3.204023E-01
    9.2250  7.111268E-01  3.235951E-01
    9.2750  4.572622E-01  3.256705E-01
    9.3250  5.567652E-01  3.282248E-01
    9.3750  7.229804E-01  3.315773E-01
    9.4250  8.175199E-01  3.354087E-01
    9.4750  7.246526E-01  3.388410E-01
    9.5250  8.171202E-01  3.427522E-01
    9.5750  8.911197E-01  3.470626E-01
    9.6250  9.798727E-01  3.518519E-01
    9.6750  7.434911E-01  3.555236E-01
    9.7250  8.638422E-01  3.598340E-01
    9.7750  5.383507E-01  3.625479E-01
    9.8250  4.231736E-01  3.647031E-01
    9.8750  7.602244E-01  3.686143E-01
    9.9250  8.293783E-01  3.729246E-01
    9.9750  9.427267E-01  3.778736E-01
   10.0250  7.828067E-01  3.820243E-01
   10.0750  8.197710E-01  3.864144E-01
   10.1250  6.936298E-01  3.901660E-01
   10.1750  8.329635E-01  3.947158E-01
   10.2250  8.537788E-01  3.994253E-01
   10.2750  8.741504E-01  4.042944E-01
   10.3250  6.670183E-01  4.080460E-01
   10.3750  9.698239E-01  4.135536E-01
   10.4250  8.491760E-01  4.184227E-01
   10.4750  1.006549E+00  4.242497E-01
   10.5250  9.833504E-01  4.299968E-01
   10.5750  1.177006E+00  4.369413E-01
   10.6250  1.045338E+00  4.431673E-01
   10.6750  9.957391E-01  4.491539E-01
   10.7250  1.012782E+00  4.553001E-01
   10.7750  1.250998E+00  4.629630E-01
   10.8250  1.071624E+00  4.695881E-01
   10.8750  9.210730E-01  4.753352E-01
   10.9250  8.366063E-01  4.806034E-01
   10.9750  8.415615E-01  4.859515E-01
   11.0250  1.020650E+00  4.924968E-01
   11.0750  7.770933E-01  4.975255E-01
   11.1250  1.124625E+00  5.048691E-01
   11.1750  9.086284E-01  5.108557E-01
   11.2250  8.405150E-01  5.164432E-01
   11.2750  1.011593E+00  5.232280E-01
   11.3250  8.375333E-01  5.288953E-01
   11.3750  1.028964E+00  5.359195E-01
   11.4250  7.881641E-01  5.413474E-01
   11.4750  8.502497E-01  5.472542E-01
   11.5250  8.884498E-01  5.534802E-01
   11.5750  7.339923E-01  5.586686E-01
   11.6250  9.180115E-01  5.652139E-01
   11.6750  8.435678E-01  5.712803E-01
   11.7250  7.813630E-01  5.769476E-01
   11.7750  5.128569E-01  5.806992E-01
   11.8250  5.950872E-01  5.850894E-01
   11.8750  6.759172E-01  5.901181E-01
   11.9250  6.809001E-01  5.952267E-01
   11.9750  7.807300E-01  6.011335E-01
   12.0250  9.939709E-01  6.087165E-01
   12.0750  9.650035E-01  6.161398E-01
   12.1250  9.158972E-01  6.232439E-01
   12.1750  1.061489E+00  6.315453E-01
   12.2250  9.617144E-01  6.391284E-01
   12.2750  1.164757E+00  6.483876E-01
   12.3250  1.304721E+00  6.588442E-01
   12.3750  1.165767E+00  6.682631E-01
   12.4250  1.087803E+00  6.771232E-01
   12.4750  9.916064E-01  6.852650E-01
   12.5250  1.099435E+00  6.943646E-01
   12.5750  1.215089E+00  7.045019E-01
   12.6250  1.034627E+00  7.132024E-01
   12.6750  1.120653E+00  7.227011E-01
   12.7250  7.194414E-01  7.288474E-01
   12.7750  1.056826E+00  7.379470E-01
   12.8250  8.186449E-01  7.450511E-01
   12.8750  8.396797E-01  7.523946E-01
   12.9250  9.871558E-01  7.610951E-01
   12.9750  6.829976E-01  7.671616E-01
   13.0250  7.758613E-01  7.741060E-01
   13.0750  1.000035E+00  7.831258E-01
   13.1250  9.397351E-01  7.916667E-01
   13.1750  8.367396E-01  7.993295E-01
   13.2250  1.046681E+00  8.089879E-01
   13.2750  1.047396E+00  8.187261E-01
   13.3250  9.032163E-01  8.271871E-01
   13.3750  7.442441E-01  8.342114E-01
   13.4250  8.058663E-01  8.418742E-01
   13.4750  8.748873E-01  8.502554E-01
   13.5250  7.939937E-01  8.579183E-01
   13.5750  1.001614E+00  8.676564E-01
   13.6250  8.801792E-01  8.762771E-01
   13.6750  9.303868E-01  8.854566E-01
   13.7250  1.028030E+00  8.956737E-01
   13.7750  9.089542E-01  9.047733E-01
   13.8250  8.153185E-01  9.129949E-01
   13.8750  6.287013E-01  9.193806E-01
   13.9250  6.944164E-01  9.264847E-01
   13.9750  7.126964E-01  9.338282E-01

g(r)  :OS      cl      

        r      g(r)         n(r)

    7.4750  0.000000E+00  0.000000E+00
    7.5250  0.000000E+00  0.000000E+00
    7.5750  2.636659E-02  7.982120E-05
    7.6250  2.602194E-02  1.596424E-04
    7.6750  0.000000E+00  1.596424E-04
    7.7250  5.070518E-02  3.192848E-04
    7.7750  7.508269E-02  5.587484E-04
    7.8250  2.470874E-02  6.385696E-04
    7.8750  2.439598E-02  7.183908E-04
    7.9250  2.408912E-02  7.982120E-04
    7.9750  0.000000E+00  7.982120E-04
    8.0250  2.349251E-02  8.780332E-04
    8.0750  2.320248E-02  9.578544E-04
    8.1250  9.167116E-02  1.277139E-03
    8.1750  9.055323E-02  1.596424E-03
    8.2250  1.565474E-01  2.155172E-03
    8.2750  1.546613E-01  2.713921E-03
    8.3250  2.619584E-01  3.671775E-03
    8.3750  1.725599E-01  4.310345E-03
    8.4250  1.065736E-01  4.709451E-03
    8.4750  1.263838E-01  5.188378E-03
    8.5250  2.706289E-01  6.226054E-03
    8.5750  8.230218E-02  6.545338E-03
    8.6250  8.135072E-02  6.864623E-03
    8.6750  6.031175E-02  7.104087E-03
    8.7250  7.949664E-02  7.423372E-03
    8.7750  2.554282E-01  8.461047E-03
    8.8250  1.554105E-01  9.099617E-03
    8.8750  1.536643E-01  9.738186E-03
    8.9250  2.089277E-01  1.061622E-02
    8.9750  2.066063E-01  1.149425E-02
    9.0250  4.086467E-01  1.325032E-02
    9.0750  3.123025E-01  1.460728E-02
    9.1250  2.907194E-01  1.588442E-02
    9.1750  3.055319E-01  1.724138E-02
    9.2250  4.266761E-01  1.915709E-02
    9.2750  5.979583E-01  2.187101E-02
    9.3250  6.089620E-01  2.466475E-02
    9.3750  4.819870E-01  2.689974E-02
    9.4250  5.961083E-01  2.969349E-02
    9.4750  4.718668E-01  3.192848E-02
    9.5250  6.003332E-01  3.480204E-02
    9.5750  7.425998E-01  3.839400E-02
    9.6250  7.022421E-01  4.182631E-02
    9.6750  6.303511E-01  4.493934E-02
    9.7250  6.718773E-01  4.829183E-02
    9.7750  6.333538E-01  5.148467E-02
    9.8250  7.209624E-01  5.515645E-02
    9.8750  5.740470E-01  5.810983E-02
    9.9250  5.682777E-01  6.106322E-02
    9.9750  4.105423E-01  6.321839E-02
   10.0250  4.064573E-01  6.537356E-02
   10.0750  2.682887E-01  6.681034E-02
   10.1250  3.689520E-01  6.880587E-02
   10.1750  2.045875E-01  6.992337E-02
   10.2250  2.025916E-01  7.104087E-02
   10.2750  2.436157E-01  7.239783E-02
   10.3250  4.115645E-01  7.471264E-02
   10.3750  3.935517E-01  7.694764E-02
   10.4250  4.176275E-01  7.934227E-02
   10.4750  2.757668E-01  8.093870E-02
   10.5250  4.370446E-01  8.349298E-02
   10.5750  2.570472E-01  8.500958E-02
   10.6250  3.484460E-01  8.708493E-02
   10.6750  2.522539E-01  8.860153E-02
   10.7250  5.787328E-01  9.211367E-02
   10.7750  5.212493E-01  9.530651E-02
   10.8250  3.486005E-01  9.746169E-02
   10.8750  3.198170E-01  9.945722E-02
   10.9250  2.661929E-01  1.011335E-01
   10.9750  2.637730E-01  1.028097E-01
   11.0250  2.738329E-01  1.045658E-01
   11.0750  3.330400E-01  1.067209E-01
   11.1250  3.178289E-01  1.087963E-01
   11.1750  2.423009E-01  1.103927E-01
   11.2250  2.761692E-01  1.122286E-01
   11.2750  3.451318E-01  1.145434E-01
   11.3250  3.774798E-01  1.170977E-01
   11.3750  4.560180E-01  1.202107E-01
   11.4250  3.940820E-01  1.229246E-01
   11.4750  4.710843E-01  1.261973E-01
   11.5250  4.556153E-01  1.293902E-01
   11.5750  4.065188E-01  1.322637E-01
   11.6250  3.470531E-01  1.347382E-01
   11.6750  4.217839E-01  1.377714E-01
   11.7250  4.622147E-01  1.411239E-01
   11.7750  5.128569E-01  1.448755E-01
   11.8250  4.868895E-01  1.484674E-01
   11.8750  5.149846E-01  1.522989E-01
   11.9250  7.447345E-01  1.578863E-01
   11.9750  6.963268E-01  1.631545E-01
   12.0250  7.533253E-01  1.689017E-01
   12.0750  6.952176E-01  1.742497E-01
   12.1250  5.660039E-01  1.786398E-01
   12.1750  7.144640E-01  1.842273E-01
   12.2250  6.681384E-01  1.894955E-01
   12.2750  5.522553E-01  1.938857E-01
   12.3250  5.179046E-01  1.980364E-01
   12.3750  3.161403E-01  2.005907E-01
   12.4250  3.430011E-01  2.033844E-01
   12.4750  4.958032E-01  2.074553E-01
   12.5250  4.629201E-01  2.112867E-01
   12.5750  4.305433E-01  2.148787E-01
   12.6250  7.593596E-01  2.212644E-01
   12.6750  7.816322E-01  2.278895E-01
   12.7250  8.222187E-01  2.349138E-01
   12.7750  7.509024E-01  2.413793E-01
   12.8250  7.542571E-01  2.479246E-01
   12.8750  7.666641E-01  2.546296E-01
   12.9250  8.513087E-01  2.621328E-01
   12.9750  7.189448E-01  2.685185E-01
   13.0250  9.898920E-01  2.773787E-01
   13.0750  1.008885E+00  2.864783E-01
   13.1250  8.606920E-01  2.943008E-01
   13.1750  1.141801E+00  3.047573E-01
   13.2250  7.006707E-01  3.112229E-01
   13.2750  9.014478E-01  3.196041E-01
   13.3250  1.005467E+00  3.290230E-01
   13.3750  1.082537E+00  3.392401E-01
   13.4250  9.905440E-01  3.486590E-01
   13.4750  1.024868E+00  3.584770E-01
   13.5250  9.594090E-01  3.677363E-01
   13.5750  8.702550E-01  3.761973E-01
   13.6250  6.112355E-01  3.821839E-01
   13.6750  6.795869E-01  3.888889E-01
   13.7250  6.184241E-01  3.950351E-01
   13.7750  9.328740E-01  4.043742E-01
   13.8250  7.361614E-01  4.117976E-01
   13.8750  8.330293E-01  4.202586E-01
   13.9250  7.880456E-01  4.283206E-01
   13.9750  8.366436E-01  4.369413E-01

g(r)  :OS      OW      

        r      g(r)         n(r)

    2.4250  0.000000E+00  0.000000E+00
    2.4750  0.000000E+00  0.000000E+00
    2.5250  2.037817E-03  7.982120E-05
    2.5750  0.000000E+00  7.982120E-05
    2.6250  7.542066E-03  3.991060E-04
    2.6750  1.270983E-02  9.578544E-04
    2.7250  1.224771E-02  1.516603E-03
    2.7750  2.193349E-02  2.554278E-03
    2.8250  1.627998E-02  3.352490E-03
    2.8750  1.729052E-02  4.230524E-03
    2.9250  1.974163E-02  5.268199E-03
    2.9750  1.614770E-02  6.146232E-03
    3.0250  2.271755E-02  7.423372E-03
    3.0750  2.473288E-02  8.860153E-03
    3.1250  2.128692E-02  1.013729E-02
    3.1750  3.351035E-02  1.221264E-02
    3.2250  3.123014E-02  1.420817E-02
    3.2750  4.603145E-02  1.724138E-02
    3.3250  5.758464E-02  2.115262E-02
    3.3750  4.106285E-02  2.402618E-02
    3.4250  4.984088E-02  2.761814E-02
    3.4750  6.778374E-02  3.264687E-02
    3.5250  6.169196E-02  3.735632E-02
    3.5750  7.522715E-02  4.326309E-02
    3.6250  8.008740E-02  4.972861E-02
    3.6750  9.042917E-02  5.723180E-02
    3.7250  8.708151E-02  6.465517E-02
    3.7750  1.021127E-01  7.359515E-02
    3.8250  9.413234E-02  8.205619E-02
    3.8750  1.133506E-01  9.251277E-02
    3.9250  1.163847E-01  1.035281E-01
    3.9750  1.249872E-01  1.156609E-01
    4.0250  1.539806E-01  1.309866E-01
    4.0750  1.690033E-01  1.482280E-01
    4.1250  1.496597E-01  1.638729E-01
    4.1750  1.654767E-01  1.815932E-01
    4.2250  1.943367E-01  2.029055E-01
    4.2750  1.997704E-01  2.253352E-01
    4.3250  2.146266E-01  2.500000E-01
    4.3750  2.185733E-01  2.757024E-01
    4.4250  2.435213E-01  3.049968E-01
    4.4750  2.381099E-01  3.342912E-01
    4.5250  2.937930E-01  3.712484E-01
    4.5750  2.960969E-01  4.093231E-01
    4.6250  2.958035E-01  4.481960E-01
    4.6750  2.966438E-01  4.880268E-01
    4.7250  3.206609E-01  5.320083E-01
    4.7750  3.276568E-01  5.779055E-01
    4.8250  3.889881E-01  6.335409E-01
    4.8750  4.072915E-01  6.930077E-01
    4.9250  3.749591E-01  7.488825E-01
    4.9750  3.690350E-01  8.049968E-01
    5.0250  4.028915E-01  8.674968E-01
    5.0750  4.000365E-01  9.307950E-01
    5.1250  4.031517E-01  9.958493E-01
    5.1750  4.414885E-01  1.068487E+00
    5.2250  4.264167E-01  1.140006E+00
    5.2750  3.968924E-01  1.207854E+00
    5.3250  4.284215E-01  1.282487E+00
    5.3750  4.146416E-01  1.356082E+00
    5.4250  4.423512E-01  1.436063E+00
    5.4750  4.538136E-01  1.519636E+00
    5.5250  4.652161E-01  1.606881E+00
    5.5750  4.544007E-01  1.693646E+00
    5.6250  4.697645E-01  1.784962E+00
    5.6750  4.441758E-01  1.872845E+00
    5.7250  4.515149E-01  1.963761E+00
    5.7750  4.468469E-01  2.055316E+00
    5.8250  4.847762E-01  2.156370E+00
    5.8750  4.494569E-01  2.251676E+00
    5.9250  4.796537E-01  2.355125E+00
    5.9750  4.767547E-01  2.459690E+00
    6.0250  4.831915E-01  2.567449E+00
    6.0750  4.752705E-01  2.675208E+00
    6.1250  5.011365E-01  2.790709E+00
    6.1750  5.022538E-01  2.908365E+00
    6.2250  4.908650E-01  3.025223E+00
    6.2750  4.873633E-01  3.143119E+00
    6.3250  4.809875E-01  3.261335E+00
    6.3750  5.102375E-01  3.388729E+00
    6.4250  5.196377E-01  3.520514E+00
    6.4750  5.218701E-01  3.654933E+00
    6.5250  5.254992E-01  3.792385E+00
    6.5750  5.349688E-01  3.934467E+00
    6.6250  5.636314E-01  4.086446E+00
    6.6750  5.292662E-01  4.231322E+00
    6.7250  5.366515E-01  4.380428E+00
    6.7750  5.123421E-01  4.524904E+00
    6.8250  5.391712E-01  4.679199E+00
    6.8750  5.426276E-01  4.836766E+00
    6.9250  5.483668E-01  4.998324E+00
    6.9750  5.560227E-01  5.164511E+00
    7.0250  5.165431E-01  5.321121E+00
    7.0750  5.720829E-01  5.497047E+00
    7.1250  5.648497E-01  5.673212E+00
    7.1750  5.958713E-01  5.861670E+00
    7.2250  6.140359E-01  6.058589E+00
    7.2750  6.061156E-01  6.255667E+00
    7.3250  6.545324E-01  6.471424E+00
    7.3750  6.595425E-01  6.691810E+00
    7.4250  6.471546E-01  6.910999E+00
    7.4750  6.743355E-01  7.142481E+00
    7.5250  6.805478E-01  7.379231E+00
    7.5750  6.616304E-01  7.612468E+00
    7.6250  7.014749E-01  7.863027E+00
    7.6750  7.139807E-01  8.121408E+00
    7.7250  7.108644E-01  8.382024E+00
    7.7750  6.987418E-01  8.641523E+00
    7.8250  6.768970E-01  8.896153E+00
    7.8750  6.771281E-01  9.154135E+00
    7.9250  7.163984E-01  9.430556E+00
    7.9750  7.043792E-01  9.705779E+00
    8.0250  7.079359E-01  9.985872E+00
    8.0750  7.209152E-01  1.027466E+01
    8.1250  7.500546E-01  1.057886E+01
    8.1750  7.259380E-01  1.087692E+01
    8.2250  7.455632E-01  1.118678E+01
    8.2750  7.472062E-01  1.150112E+01
    8.3250  7.635662E-01  1.182623E+01
    8.3750  7.244676E-01  1.213841E+01
    8.4250  7.539677E-01  1.246719E+01
    8.4750  7.631869E-01  1.280396E+01
    8.5250  7.687418E-01  1.314719E+01
    8.5750  7.470808E-01  1.348467E+01
    8.6250  7.829813E-01  1.384251E+01
    8.6750  7.782978E-01  1.420235E+01
    8.7250  7.675256E-01  1.456130E+01
    8.7750  7.512108E-01  1.491667E+01
    8.8250  7.475606E-01  1.527435E+01
    8.8750  7.742965E-01  1.564903E+01
    8.9250  7.648297E-01  1.602331E+01
    8.9750  7.734293E-01  1.640605E+01
    9.0250  7.691902E-01  1.679095E+01
    9.0750  7.743053E-01  1.718271E+01
    9.1250  7.653750E-01  1.757423E+01
    9.1750  7.647729E-01  1.796975E+01
    9.2250  7.723834E-01  1.837356E+01
    9.2750  7.450481E-01  1.876732E+01
    9.3250  7.627796E-01  1.917481E+01
    9.3750  7.657522E-01  1.958828E+01
    9.4250  7.971404E-01  2.002331E+01
    9.4750  8.014853E-01  2.046536E+01
    9.5250  7.963867E-01  2.090924E+01
    9.5750  8.029714E-01  2.136151E+01
    9.6250  7.897418E-01  2.181098E+01
    9.6750  7.970074E-01  2.226932E+01
    9.7250  8.189191E-01  2.274513E+01
    9.7750  7.994127E-01  2.321440E+01
    9.8250  8.164666E-01  2.369860E+01
    9.8750  8.448599E-01  2.420474E+01
    9.9250  8.396664E-01  2.471288E+01
    9.9750  8.394963E-01  2.522605E+01
   10.0250  8.602312E-01  2.575718E+01
   10.0750  8.659222E-01  2.629717E+01
   10.1250  8.823586E-01  2.685289E+01
   10.1750  8.724532E-01  2.740781E+01
   10.2250  9.051999E-01  2.798922E+01
   10.2750  8.779518E-01  2.855867E+01
   10.3250  8.855569E-01  2.913865E+01
   10.3750  8.953892E-01  2.973076E+01
   10.4250  9.138392E-01  3.034092E+01
   10.4750  8.919924E-01  3.094221E+01
   10.5250  8.990197E-01  3.155404E+01
   10.5750  8.958828E-01  3.216954E+01
   10.6250  9.086477E-01  3.279973E+01
   10.6750  9.090490E-01  3.343614E+01
   10.7250  9.072571E-01  3.407727E+01
   10.7750  9.054593E-01  3.472310E+01
   10.8250  9.093107E-01  3.537771E+01
   10.8750  9.141517E-01  3.604191E+01
   10.9250  9.383518E-01  3.672996E+01
   10.9750  9.136412E-01  3.740605E+01
   11.0250  9.136037E-01  3.808828E+01
   11.0750  9.062205E-01  3.877115E+01
   11.1250  9.386148E-01  3.948483E+01
   11.1750  9.095301E-01  4.018263E+01
   11.2250  9.166036E-01  4.089216E+01
   11.2750  9.161574E-01  4.160768E+01
   11.3250  9.317906E-01  4.234187E+01
   11.3750  9.250229E-01  4.307719E+01
   11.4250  9.218215E-01  4.381641E+01
   11.4750  9.236730E-01  4.456362E+01
   11.5250  9.283922E-01  4.532120E+01
   11.5750  9.529725E-01  4.610560E+01
   11.6250  9.712317E-01  4.691196E+01
   11.6750  9.627400E-01  4.771815E+01
   11.7250  9.635249E-01  4.853193E+01
   11.7750  9.692284E-01  4.935752E+01
   11.8250  9.809337E-01  5.020019E+01
   11.8750  9.653196E-01  5.103648E+01
   11.9250  9.737789E-01  5.188721E+01
   11.9750  9.502614E-01  5.272438E+01
   12.0250  9.479463E-01  5.356649E+01
   12.0750  9.657758E-01  5.443159E+01
   12.1250  9.842517E-01  5.532056E+01
   12.1750  9.839852E-01  5.621663E+01
   12.2250  9.779522E-01  5.711454E+01
   12.2750  1.003890E+00  5.804382E+01
   12.3250  9.872936E-01  5.896520E+01
   12.3750  9.905307E-01  5.989711E+01
   12.4250  9.811440E-01  6.082767E+01
   12.4750  1.004853E+00  6.178839E+01
   12.5250  9.946929E-01  6.274705E+01
   12.5750  1.008079E+00  6.372637E+01
   12.6250  1.004920E+00  6.471041E+01
   12.6750  9.926398E-01  6.569013E+01
   12.7250  1.005396E+00  6.669029E+01
   12.7750  1.017444E+00  6.771041E+01
   12.8250  1.008894E+00  6.872989E+01
   12.8750  1.031093E+00  6.977993E+01
   12.9250  1.006876E+00  7.081330E+01
   12.9750  1.040652E+00  7.188961E+01
   13.0250  1.008630E+00  7.294085E+01
   13.0750  1.005111E+00  7.399649E+01
   13.1250  1.029145E+00  7.508565E+01
   13.1750  1.026214E+00  7.618000E+01
   13.2250  1.036966E+00  7.729422E+01
   13.2750  1.024893E+00  7.840382E+01
   13.3250  1.041803E+00  7.954023E+01
   13.3750  1.037587E+00  8.068056E+01
   13.4250  1.034919E+00  8.182647E+01
   13.4750  1.039918E+00  8.298651E+01
   13.5250  1.039489E+00  8.415469E+01
   13.5750  1.044536E+00  8.533724E+01
   13.6250  1.049132E+00  8.653376E+01
   13.6750  1.064402E+00  8.775663E+01
   13.7250  1.043556E+00  8.896432E+01
   13.7750  1.066738E+00  9.020785E+01
   13.8250  1.053258E+00  9.144460E+01
   13.8750  1.042374E+00  9.267744E+01
   13.9250  1.066930E+00  9.394844E+01
   13.9750  1.051260E+00  9.520977E+01

g(r)  :OS      HW      

        r      g(r)         n(r)

    1.5750  0.000000E+00  0.000000E+00
    1.6250  0.000000E+00  0.000000E+00
    1.6750  4.630631E-03  1.596424E-04
    1.7250  8.732196E-03  4.789272E-04
    1.7750  1.649440E-02  1.117497E-03
    1.8250  1.170228E-02  1.596424E-03
    1.8750  1.662977E-02  2.314815E-03
    1.9250  8.765086E-03  2.713921E-03
    1.9750  9.992311E-03  3.192848E-03
    2.0250  6.336653E-03  3.512133E-03
    2.0750  9.052449E-03  3.991060E-03
    2.1250  2.877161E-03  4.150702E-03
    2.1750  6.866010E-03  4.549808E-03
    2.2250  2.624362E-03  4.709451E-03
    2.2750  2.510278E-03  4.869093E-03
    2.3250  3.605211E-03  5.108557E-03
    2.3750  8.061704E-03  5.667305E-03
    2.4250  7.732701E-03  6.226054E-03
    2.4750  2.120982E-03  6.385696E-03
    2.5250  1.018908E-02  7.183908E-03
    2.5750  9.797245E-03  7.982120E-03
    2.6250  9.427582E-03  8.780332E-03
    2.6750  9.986298E-03  9.658365E-03
    2.7250  1.399738E-02  1.093550E-02
    2.7750  1.012315E-02  1.189336E-02
    2.8250  1.302398E-02  1.317050E-02
    2.8750  1.807646E-02  1.500639E-02
    2.9250  1.974163E-02  1.708174E-02
    2.9750  2.495553E-02  1.979566E-02
    3.0250  2.839693E-02  2.298851E-02
    3.0750  3.022908E-02  2.650064E-02
    3.1250  4.456948E-02  3.184866E-02
    3.1750  4.639895E-02  3.759579E-02
    3.2250  4.309759E-02  4.310345E-02
    3.2750  5.269389E-02  5.004789E-02
    3.3250  5.464665E-02  5.747126E-02
    3.3750  6.387554E-02  6.641124E-02
    3.4250  7.143860E-02  7.670817E-02
    3.4750  8.822645E-02  8.979885E-02
    3.5250  1.056083E-01  1.059227E-01
    3.5750  1.016583E-01  1.218870E-01
    3.6250  1.141987E-01  1.403257E-01
    3.6750  1.260236E-01  1.612388E-01
    3.7250  1.254723E-01  1.826309E-01
    3.7750  1.499781E-01  2.088921E-01
    3.8250  1.554072E-01  2.368295E-01
    3.8750  1.570469E-01  2.658046E-01
    3.9250  1.813240E-01  3.001277E-01
    3.9750  1.883031E-01  3.366858E-01
    4.0250  1.900698E-01  3.745211E-01
    4.0750  1.956057E-01  4.144317E-01
    4.1250  2.031096E-01  4.568966E-01
    4.1750  2.202629E-01  5.040709E-01
    4.2250  2.081659E-01  5.497286E-01
    4.2750  2.424260E-01  6.041667E-01
    4.3250  2.309493E-01  6.572478E-01
    4.3750  2.464041E-01  7.151980E-01
    4.4250  2.358905E-01  7.719508E-01
    4.4750  2.582228E-01  8.354885E-01
    4.5250  2.722186E-01  9.039751E-01
    4.5750  2.880272E-01  9.780492E-01
    4.6250  2.912480E-01  1.054598E+00
    4.6750  3.013996E-01  1.135536E+00
    4.7250  3.293903E-01  1.225894E+00
    4.7750  3.282266E-01  1.317848E+00
    4.8250  3.356906E-01  1.413873E+00
    4.8750  3.662890E-01  1.520833E+00
    4.9250  3.821905E-01  1.634738E+00
    4.9750  3.790089E-01  1.750000E+00
    5.0250  3.928578E-01  1.871887E+00
    5.0750  3.932263E-01  1.996328E+00
    5.1250  4.108190E-01  2.128911E+00
    5.1750  4.114090E-01  2.264288E+00
    5.2250  4.088079E-01  2.401421E+00
    5.2750  4.113673E-01  2.542066E+00
    5.3250  4.254432E-01  2.690294E+00
    5.3750  4.270089E-01  2.841874E+00
    5.4250  4.324182E-01  2.998244E+00
    5.4750  4.273736E-01  3.155651E+00
    5.5250  4.435088E-01  3.321999E+00
    5.5750  4.341261E-01  3.487787E+00
    5.6250  4.440999E-01  3.660441E+00
    5.6750  4.433689E-01  3.835888E+00
    5.7250  4.507220E-01  4.017401E+00
    5.7750  4.495740E-01  4.201628E+00
    5.8250  4.390173E-01  4.384658E+00
    5.8750  4.571737E-01  4.578544E+00
    5.9250  4.546717E-01  4.774665E+00
    5.9750  4.756629E-01  4.983317E+00
    6.0250  4.703063E-01  5.193087E+00
    6.0750  5.087154E-01  5.423771E+00
    6.1250  4.905735E-01  5.649904E+00
    6.1750  4.910093E-01  5.879949E+00
    6.2250  5.128266E-01  6.124122E+00
    6.2750  5.003970E-01  6.366220E+00
    6.3250  5.082684E-01  6.616060E+00
    6.3750  5.169511E-01  6.874202E+00
    6.4250  5.235720E-01  7.139767E+00
    6.4750  5.364354E-01  7.416108E+00
    6.5250  5.288560E-01  7.692768E+00
    6.5750  5.391764E-01  7.979167E+00
    6.6250  5.543066E-01  8.278097E+00
    6.6750  5.534695E-01  8.581098E+00
    6.7250  5.478557E-01  8.885536E+00
    6.7750  5.495648E-01  9.195482E+00
    6.8250  5.681799E-01  9.520674E+00
    6.8750  5.698415E-01  9.851612E+00
    6.9250  5.612361E-01  1.018231E+01
    6.9750  5.747170E-01  1.052586E+01
    7.0250  5.851259E-01  1.088067E+01
    7.0750  5.938864E-01  1.124593E+01
    7.1250  5.882678E-01  1.161287E+01
    7.1750  6.015499E-01  1.199337E+01
    7.2250  6.058222E-01  1.238194E+01
    7.2750  6.221952E-01  1.278656E+01
    7.3250  6.341918E-01  1.320466E+01
    7.3750  6.159472E-01  1.361630E+01
    7.4250  6.524572E-01  1.405827E+01
    7.4750  6.553844E-01  1.450822E+01
    7.5250  6.518666E-01  1.496177E+01
    7.5750  6.551771E-01  1.542369E+01
    7.6250  6.771166E-01  1.590741E+01
    7.6750  6.771457E-01  1.639751E+01
    7.7250  6.863706E-01  1.690078E+01
    7.7750  6.822996E-01  1.740757E+01
    7.8250  6.999200E-01  1.793415E+01
    7.8750  7.042593E-01  1.847079E+01
    7.9250  6.963318E-01  1.900814E+01
    7.9750  6.985570E-01  1.955404E+01
    8.0250  6.987564E-01  2.010696E+01
    8.0750  7.199189E-01  2.068375E+01
    8.1250  7.256498E-01  2.127235E+01
    8.1750  7.257435E-01  2.186830E+01
    8.2250  7.299106E-01  2.247502E+01
    8.2750  7.253858E-01  2.308533E+01
    8.3250  7.386326E-01  2.371432E+01
    8.3750  7.176138E-01  2.433277E+01
    8.4250  7.418867E-01  2.497981E+01
    8.4750  7.324351E-01  2.562620E+01
    8.5250  7.235112E-01  2.627227E+01
    8.5750  7.211945E-01  2.692385E+01
    8.6250  7.560843E-01  2.761494E+01
    8.6750  7.345315E-01  2.829414E+01
    8.7250  7.544690E-01  2.899984E+01
    8.7750  7.442926E-01  2.970402E+01
    8.8250  7.474772E-01  3.041930E+01
    8.8750  7.690179E-01  3.116355E+01
    8.9250  7.579790E-01  3.190541E+01
    8.9750  7.577027E-01  3.265533E+01
    9.0250  7.789207E-01  3.343487E+01
    9.0750  7.651550E-01  3.420913E+01
    9.1250  7.876886E-01  3.501501E+01
    9.1750  7.959504E-01  3.583828E+01
    9.2250  7.956664E-01  3.667026E+01
    9.2750  7.943605E-01  3.750990E+01
    9.3250  8.088751E-01  3.837412E+01
    9.3750  8.076616E-01  3.924633E+01
    9.4250  8.002851E-01  4.011981E+01
    9.4750  7.920059E-01  4.099345E+01
    9.5250  8.136434E-01  4.190046E+01
    9.5750  8.086401E-01  4.281138E+01
    9.6250  7.886198E-01  4.370905E+01
    9.6750  8.013103E-01  4.463067E+01
    9.7250  8.138361E-01  4.557639E+01
    9.7750  8.232768E-01  4.654294E+01
    9.8250  8.223889E-01  4.751836E+01
    9.8750  8.250075E-01  4.850686E+01
    9.9250  8.430298E-01  4.952722E+01
    9.9750  8.452418E-01  5.056058E+01
   10.0250  8.535733E-01  5.161462E+01
   10.0750  8.406421E-01  5.266307E+01
   10.1250  8.555533E-01  5.374074E+01
   10.1750  8.597780E-01  5.483445E+01
   10.2250  8.624502E-01  5.594237E+01
   10.2750  8.720446E-01  5.707360E+01
   10.3250  8.722724E-01  5.821616E+01
   10.3750  8.679892E-01  5.936414E+01
   10.4250  8.873589E-01  6.054909E+01
   10.4750  8.776646E-01  6.173236E+01
   10.5250  8.738026E-01  6.292170E+01
   10.5750  8.907127E-01  6.414559E+01
   10.6250  8.897151E-01  6.537971E+01
   10.6750  8.962222E-01  6.663458E+01
   10.7250  8.918952E-01  6.789511E+01
   10.7750  8.980733E-01  6.917625E+01
   10.8250  9.024363E-01  7.047557E+01
   10.8750  8.991008E-01  7.178209E+01
   10.9250  9.030275E-01  7.310640E+01
   10.9750  9.124007E-01  7.445674E+01
   11.0250  9.062281E-01  7.581019E+01
   11.0750  9.153833E-01  7.718973E+01
   11.1250  9.106904E-01  7.857463E+01
   11.1750  9.205585E-01  7.998715E+01
   11.2250  9.267606E-01  8.142193E+01
   11.2750  9.269911E-01  8.286989E+01
   11.3250  9.262696E-01  8.432958E+01
   11.3750  9.310478E-01  8.580979E+01
   11.4250  9.351596E-01  8.730963E+01
   11.4750  9.378325E-01  8.882695E+01
   11.5250  9.294682E-01  9.034387E+01
   11.5750  9.430810E-01  9.189639E+01
   11.6250  9.392643E-01  9.345602E+01
   11.6750  9.549237E-01  9.505532E+01
   11.7250  9.442922E-01  9.665038E+01
   11.7750  9.541413E-01  9.827586E+01
   11.8250  9.647660E-01  9.993343E+01
   11.8750  9.472147E-01  1.015746E+02
   11.9250  9.622211E-01  1.032559E+02
   11.9750  9.715082E-01  1.049677E+02
   12.0250  9.651980E-01  1.066826E+02
   12.0750  9.725482E-01  1.084249E+02
   12.1250  9.824842E-01  1.101996E+02
   12.1750  9.761403E-01  1.119775E+02
   12.2250  9.665635E-01  1.137524E+02
   12.2750  9.917745E-01  1.155885E+02
   12.3250  9.847704E-01  1.174266E+02
   12.3750  9.860341E-01  1.192819E+02
   12.4250  9.880451E-01  1.211561E+02
   12.4750  9.859849E-01  1.230415E+02
   12.5250  9.871975E-01  1.249444E+02
   12.5750  9.973568E-01  1.268822E+02
   12.6250  9.930185E-01  1.288269E+02
   12.6750  1.010311E+00  1.308213E+02
   12.7250  9.958873E-01  1.328027E+02
   12.7750  1.020390E+00  1.348488E+02
   12.8250  1.009487E+00  1.368890E+02
   12.8750  1.023529E+00  1.389737E+02
   12.9250  1.012281E+00  1.410515E+02
   12.9750  1.009936E+00  1.431406E+02
   13.0250  1.013570E+00  1.452534E+02
   13.0750  1.020007E+00  1.473959E+02
   13.1250  1.028843E+00  1.495736E+02
   13.1750  1.024005E+00  1.517576E+02
   13.2250  1.015051E+00  1.539389E+02
   13.2750  1.028616E+00  1.561662E+02
   13.3250  1.027314E+00  1.584074E+02
   13.3750  1.028617E+00  1.606683E+02
   13.4250  1.025800E+00  1.629400E+02
   13.4750  1.035947E+00  1.652512E+02
   13.5250  1.038885E+00  1.675862E+02
   13.5750  1.049754E+00  1.699631E+02
   13.6250  1.030725E+00  1.723142E+02
   13.6750  1.032303E+00  1.746861E+02
   13.7250  1.042556E+00  1.770992E+02
   13.7750  1.045957E+00  1.795378E+02
   13.8250  1.058866E+00  1.820245E+02
   13.8750  1.047301E+00  1.845018E+02
   13.9250  1.052893E+00  1.870104E+02
   13.9750  1.055584E+00  1.895434E+02

g(r)  :Oe      Oe      

        r      g(r)         n(r)

    2.3750  0.000000E+00  0.000000E+00
    2.4250  0.000000E+00  0.000000E+00
    2.4750  8.335458E-01  4.789272E-04
    2.5250  1.067816E+00  1.117497E-03
    2.5750  2.566878E+00  2.713921E-03
    2.6250  5.187056E+00  6.066411E-03
    2.6750  9.989930E+00  1.277139E-02
    2.7250  1.489846E+01  2.314815E-02
    2.7750  2.298630E+01  3.975096E-02
    2.8250  2.665846E+01  5.970626E-02
    2.8750  3.418179E+01  8.620690E-02
    2.9250  3.441574E+01  1.138250E-01
    2.9750  4.173005E+01  1.484674E-01
    3.0250  3.626998E+01  1.795977E-01
    3.0750  4.014010E+01  2.151980E-01
    3.1250  3.677448E+01  2.488825E-01
    3.1750  3.866450E+01  2.854406E-01
    3.2250  4.352982E+01  3.279055E-01
    3.2750  3.729153E+01  3.654215E-01
    3.3250  3.910350E+01  4.059706E-01
    3.3750  3.705694E+01  4.455619E-01
    3.4250  3.873966E+01  4.881865E-01
    3.4750  3.890141E+01  5.322478E-01
    3.5250  3.725776E+01  5.756705E-01
    3.5750  3.289358E+01  6.151022E-01
    3.6250  3.134482E+01  6.537356E-01
    3.6750  2.961555E+01  6.912516E-01
    3.7250  2.796721E+01  7.276501E-01
    3.7750  2.615635E+01  7.626117E-01
    3.8250  2.745467E+01  8.002874E-01
    3.8750  2.278348E+01  8.323755E-01
    3.9250  1.944468E+01  8.604725E-01
    3.9750  2.046666E+01  8.908046E-01
    4.0250  2.195747E+01  9.241699E-01
    4.0750  2.172944E+01  9.580140E-01
    4.1250  2.130589E+01  9.920179E-01
    4.1750  1.845513E+01  1.022190E+00
    4.2250  1.735347E+01  1.051245E+00
    4.2750  1.732244E+01  1.080939E+00
    4.3250  1.601434E+01  1.109036E+00
    4.3750  1.609500E+01  1.137931E+00
    4.4250  1.451639E+01  1.164591E+00
    4.4750  1.504375E+01  1.192848E+00
    4.5250  1.571063E+01  1.223020E+00
    4.5750  1.414934E+01  1.250798E+00
    4.6250  1.718697E+01  1.285281E+00
    4.6750  1.347262E+01  1.312899E+00
    4.7250  1.677214E+01  1.348020E+00
    4.7750  1.552694E+01  1.381226E+00
    4.8250  1.586480E+01  1.415868E+00
    4.8750  1.733148E+01  1.454502E+00
    4.9250  1.740239E+01  1.494093E+00
    4.9750  1.794833E+01  1.535760E+00
    5.0250  1.948029E+01  1.581897E+00
    5.0750  2.028786E+01  1.630907E+00
    5.1250  2.093075E+01  1.682471E+00
    5.1750  2.167223E+01  1.736909E+00
    5.2250  2.169585E+01  1.792465E+00
    5.2750  2.128651E+01  1.848020E+00
    5.3250  2.154891E+01  1.905332E+00
    5.3750  2.126770E+01  1.962963E+00
    5.4250  1.972083E+01  2.017401E+00
    5.4750  2.044112E+01  2.074872E+00
    5.5250  1.979403E+01  2.131545E+00
    5.5750  1.922152E+01  2.187580E+00
    5.6250  1.737513E+01  2.239144E+00
    5.6750  1.881433E+01  2.295977E+00
    5.7250  1.812362E+01  2.351692E+00
    5.7750  1.827047E+01  2.408844E+00
    5.8250  1.600183E+01  2.459770E+00
    5.8750  1.775242E+01  2.517241E+00
    5.9250  1.643591E+01  2.571360E+00
    5.9750  1.592361E+01  2.624681E+00
    6.0250  1.453511E+01  2.674170E+00
    6.0750  1.397401E+01  2.722542E+00
    6.1250  1.374679E+01  2.770913E+00
    6.1750  1.316798E+01  2.818008E+00
    6.2250  1.243022E+01  2.863186E+00
    6.2750  1.391873E+01  2.914591E+00
    6.3250  1.182755E+01  2.958972E+00
    6.3750  1.256412E+01  3.006865E+00
    6.4250  1.026654E+01  3.046616E+00
    6.4750  1.266620E+01  3.096424E+00
    6.5250  1.063388E+01  3.138889E+00
    6.5750  1.200825E+01  3.187580E+00
    6.6250  1.093575E+01  3.232599E+00
    6.6750  9.855723E+00  3.273787E+00
    6.7250  8.543044E+00  3.310026E+00
    6.7750  9.566928E+00  3.351213E+00
    6.8250  9.134949E+00  3.391124E+00
    6.8750  8.750489E+00  3.429917E+00
    6.9250  7.808266E+00  3.465038E+00
    6.9750  8.186513E+00  3.502395E+00
    7.0250  7.139195E+00  3.535441E+00
    7.0750  6.936635E+00  3.568008E+00
    7.1250  5.364408E+00  3.593550E+00
    7.1750  5.356028E+00  3.619413E+00
    7.2250  5.543000E+00  3.646552E+00
    7.2750  5.402751E+00  3.673372E+00
    7.3250  5.805071E+00  3.702586E+00
    7.3750  5.319816E+00  3.729725E+00
    7.4250  4.075236E+00  3.750798E+00
    7.4750  4.020900E+00  3.771871E+00
    7.5250  4.508686E+00  3.795817E+00
    7.5750  3.796789E+00  3.816252E+00
    7.6250  4.127729E+00  3.838761E+00
    7.6750  4.218596E+00  3.862069E+00
    7.7250  3.451121E+00  3.881386E+00
    7.7750  3.125317E+00  3.899106E+00
    7.8250  4.002817E+00  3.922095E+00
    7.8750  3.622803E+00  3.943167E+00
    7.9250  3.902437E+00  3.966156E+00
    7.9750  4.121272E+00  3.990741E+00
    8.0250  3.885073E+00  4.014208E+00
    8.0750  3.288951E+00  4.034323E+00
    8.1250  2.784511E+00  4.051564E+00
    8.1750  3.336321E+00  4.072478E+00
    8.2250  2.868171E+00  4.090677E+00
    8.2750  2.411059E+00  4.106162E+00
    8.3250  2.234832E+00  4.120690E+00
    8.3750  1.892767E+00  4.133142E+00
    8.4250  2.134137E+00  4.147350E+00
    8.4750  2.251211E+00  4.162516E+00
    8.5250  2.107783E+00  4.176884E+00
    8.5750  2.245306E+00  4.192369E+00
    8.6250  1.921911E+00  4.205779E+00
    8.6750  1.945054E+00  4.219508E+00
    8.7250  2.101692E+00  4.234515E+00
    8.7750  2.210436E+00  4.250479E+00
    8.8250  1.792077E+00  4.263570E+00
    8.8750  2.117686E+00  4.279215E+00
    8.9250  1.944452E+00  4.293742E+00
    8.9750  1.711545E+00  4.306673E+00
    9.0250  2.089671E+00  4.322637E+00
    9.0750  1.818703E+00  4.336686E+00
    9.1250  1.839709E+00  4.351054E+00
    9.1750  1.779274E+00  4.365102E+00
    9.2250  1.360030E+00  4.375958E+00
    9.2750  1.206908E+00  4.385696E+00
    9.3250  1.448460E+00  4.397510E+00
    9.3750  1.452416E+00  4.409483E+00
    9.4250  1.494529E+00  4.421935E+00
    9.4750  1.857976E+00  4.437580E+00
    9.5250  1.463312E+00  4.450032E+00
    9.5750  1.837934E+00  4.465837E+00
    9.6250  2.020987E+00  4.483397E+00
    9.6750  1.763771E+00  4.498883E+00
    9.7250  1.745681E+00  4.514368E+00
    9.7750  1.710055E+00  4.529693E+00
    9.8250  1.833752E+00  4.546296E+00
    9.8750  1.448693E+00  4.559547E+00
    9.9250  1.365018E+00  4.572158E+00
    9.9750  1.368474E+00  4.584930E+00
   10.0250  1.337922E+00  4.597542E+00
   10.0750  1.391748E+00  4.610792E+00
   10.1250  1.427844E+00  4.624521E+00
   10.1750  1.134365E+00  4.635536E+00
   10.2250  1.139578E+00  4.646711E+00
   10.2750  1.305852E+00  4.659642E+00
   10.3250  1.101645E+00  4.670658E+00
   10.3750  9.329284E-01  4.680077E+00
   10.4250  1.143255E+00  4.691731E+00
   10.4750  1.116855E+00  4.703225E+00
   10.5250  9.372559E-01  4.712963E+00
   10.5750  6.848955E-01  4.720147E+00
   10.6250  7.236956E-01  4.727810E+00
   10.6750  7.766765E-01  4.736111E+00
   10.7250  6.954659E-01  4.743614E+00
   10.7750  7.916474E-01  4.752235E+00
   10.8250  7.553011E-01  4.760536E+00
   10.8750  6.620212E-01  4.767880E+00
   10.9250  6.844961E-01  4.775543E+00
   10.9750  5.652278E-01  4.781928E+00
   11.0250  5.041014E-01  4.787676E+00
   11.0750  6.660800E-01  4.795338E+00
   11.1250  5.088319E-01  4.801245E+00
   11.1750  5.588065E-01  4.807791E+00
   11.2250  4.727897E-01  4.813378E+00
   11.2750  6.158818E-01  4.820722E+00
   11.3250  3.848524E-01  4.825351E+00
   11.3750  4.735571E-01  4.831098E+00
   11.4250  6.519740E-01  4.839080E+00
   11.4750  4.524133E-01  4.844668E+00
   11.5250  5.766381E-01  4.851852E+00
   11.5750  6.224820E-01  4.859674E+00
   11.6250  5.667601E-01  4.866858E+00
   11.6750  6.618122E-01  4.875319E+00
   11.7250  5.818953E-01  4.882822E+00
   11.7750  5.033090E-01  4.889368E+00
   11.8250  5.477507E-01  4.896552E+00
   11.8750  5.431478E-01  4.903736E+00
   11.9250  5.386026E-01  4.910920E+00
   11.9750  4.866375E-01  4.917465E+00
   12.0250  5.296818E-01  4.924649E+00
   12.0750  6.186918E-01  4.933110E+00
   12.1250  4.862488E-01  4.939815E+00
   12.1750  3.215088E-01  4.944285E+00
   12.2250  4.783264E-01  4.950990E+00
   12.2750  2.824033E-01  4.954981E+00
   12.3250  2.801166E-01  4.958972E+00
   12.3750  3.223149E-01  4.963602E+00
   12.4250  2.976759E-01  4.967912E+00
   12.4750  2.952946E-01  4.972222E+00
   12.5250  2.929416E-01  4.976533E+00
   12.5750  3.121439E-01  4.981162E+00
   12.6250  2.349269E-01  4.984674E+00
   12.6750  1.801050E-01  4.987388E+00
   12.7250  2.102264E-01  4.990581E+00
   12.7750  1.355796E-01  4.992656E+00
   12.8250  1.655686E-01  4.995211E+00
   12.8750  1.334817E-01  4.997286E+00
   12.9250  4.075414E-02  4.997925E+00
   12.9750  4.044065E-02  4.998563E+00
   13.0250  4.013076E-02  4.999202E+00
   13.0750  1.991221E-02  4.999521E+00
   13.1250  2.964118E-02  5.000000E+00
   13.1750  0.000000E+00  5.000000E+00
   13.2250  0.000000E+00  5.000000E+00
   13.2750  0.000000E+00  5.000000E+00
   13.3250  0.000000E+00  5.000000E+00
   13.3750  0.000000E+00  5.000000E+00
   13.4250  0.000000E+00  5.000000E+00
   13.4750  0.000000E+00  5.000000E+00
   13.5250  0.000000E+00  5.000000E+00
   13.5750  0.000000E+00  5.000000E+00
   13.6250  0.000000E+00  5.000000E+00
   13.6750  0.000000E+00  5.000000E+00
   13.7250  0.000000E+00  5.000000E+00
   13.7750  0.000000E+00  5.000000E+00
   13.8250  0.000000E+00  5.000000E+00
   13.8750  0.000000E+00  5.000000E+00
   13.9250  0.000000E+00  5.000000E+00
   13.9750  0.000000E+00  5.000000E+00

g(r)  :Oe      O       

        r      g(r)         n(r)

    2.4250  0.000000E+00  0.000000E+00
    2.4750  0.000000E+00  0.000000E+00
    2.5250  8.008620E-01  4.789272E-04
    2.5750  2.310190E+00  1.915709E-03
    2.6250  6.175066E+00  5.906769E-03
    2.6750  9.395291E+00  1.221264E-02
    2.7250  1.570069E+01  2.314815E-02
    2.7750  2.044454E+01  3.791507E-02
    2.8250  2.154004E+01  5.403895E-02
    2.8750  2.532747E+01  7.367497E-02
    2.9250  3.113332E+01  9.865900E-02
    2.9750  3.269175E+01  1.257982E-01
    3.0250  3.394498E+01  1.549330E-01
    3.0750  3.735009E+01  1.880587E-01
    3.1250  4.365880E+01  2.280492E-01
    3.1750  4.862610E+01  2.740262E-01
    3.2250  5.302128E+01  3.257503E-01
    3.2750  4.847899E+01  3.745211E-01
    3.3250  5.665389E+01  4.332695E-01
    3.3750  5.603368E+01  4.931354E-01
    3.4250  5.593310E+01  5.546775E-01
    3.4750  5.778833E+01  6.201309E-01
    3.5250  5.218826E+01  6.809547E-01
    3.5750  5.286944E+01  7.443327E-01
    3.6250  4.941343E+01  8.052363E-01
    3.6750  4.826705E+01  8.663793E-01
    3.7250  4.563071E+01  9.257663E-01
    3.7750  4.013030E+01  9.794061E-01
    3.8250  4.135651E+01  1.036159E+00
    3.8750  4.097625E+01  1.093870E+00
    3.9250  4.165139E+01  1.154055E+00
    3.9750  3.748630E+01  1.209610E+00
    4.0250  3.855690E+01  1.268199E+00
    4.0750  3.279916E+01  1.319285E+00
    4.1250  3.080852E+01  1.368455E+00
    4.1750  2.973326E+01  1.417066E+00
    4.2250  2.741276E+01  1.462963E+00
    4.2750  3.003488E+01  1.514448E+00
    4.3250  3.166471E+01  1.570003E+00
    4.3750  3.405738E+01  1.631146E+00
    4.4250  3.446556E+01  1.694444E+00
    4.4750  3.544205E+01  1.761015E+00
    4.5250  3.399813E+01  1.826309E+00
    4.5750  3.443819E+01  1.893918E+00
    4.6250  3.194708E+01  1.958014E+00
    4.6750  3.165677E+01  2.022909E+00
    4.7250  2.698789E+01  2.079422E+00
    4.7750  2.851583E+01  2.140405E+00
    4.8250  2.719680E+01  2.199792E+00
    4.8750  2.778766E+01  2.261734E+00
    4.9250  2.585798E+01  2.320562E+00
    4.9750  2.595975E+01  2.380827E+00
    5.0250  2.743418E+01  2.445801E+00
    5.0750  2.854838E+01  2.514767E+00
    5.1250  2.566122E+01  2.577985E+00
    5.1750  2.310222E+01  2.636015E+00
    5.2250  1.776815E+01  2.681513E+00
    5.2750  1.272297E+01  2.714719E+00
    5.3250  1.098454E+01  2.743934E+00
    5.3750  8.866451E+00  2.767960E+00
    5.4250  9.368840E+00  2.793822E+00
    5.4750  8.687474E+00  2.818247E+00
    5.5250  8.921252E+00  2.843790E+00
    5.5750  9.200046E+00  2.870610E+00
    5.6250  1.100066E+01  2.903257E+00
    5.6750  9.777111E+00  2.932791E+00
    5.7250  1.090533E+01  2.966315E+00
    5.7750  1.135525E+01  3.001836E+00
    5.8250  1.028330E+01  3.034563E+00
    5.8750  1.158838E+01  3.072079E+00
    5.9250  1.141787E+01  3.109674E+00
    5.9750  1.146595E+01  3.148068E+00
    6.0250  1.071379E+01  3.184547E+00
    6.0750  1.033062E+01  3.220307E+00
    6.1250  9.845063E+00  3.254949E+00
    6.1750  1.008801E+01  3.291028E+00
    6.2250  9.882682E+00  3.326948E+00
    6.2750  9.920334E+00  3.363586E+00
    6.3250  9.083389E+00  3.397669E+00
    6.3750  9.758132E+00  3.434866E+00
    6.4250  1.020470E+01  3.474377E+00
    6.4750  8.728309E+00  3.508701E+00
    6.5250  8.894883E+00  3.544221E+00
    6.5750  7.815203E+00  3.575910E+00
    6.6250  7.852801E+00  3.608238E+00
    6.6750  7.200790E+00  3.638330E+00
    6.7250  7.508094E+00  3.670179E+00
    6.7750  7.379142E+00  3.701948E+00
    6.8250  7.381039E+00  3.734195E+00
    6.8750  6.769926E+00  3.764208E+00
    6.9250  6.424073E+00  3.793103E+00
    6.9750  7.364363E+00  3.826708E+00
    7.0250  6.052795E+00  3.854725E+00
    7.0750  6.171565E+00  3.883701E+00
    7.1250  6.018196E+00  3.912356E+00
    7.1750  5.818894E+00  3.940453E+00
    7.2250  5.543000E+00  3.967593E+00
    7.2750  5.981617E+00  3.997286E+00
    7.3250  6.534670E+00  4.030172E+00
    7.3750  5.225936E+00  4.056833E+00
    7.4250  5.263846E+00  4.084052E+00
    7.4750  5.345969E+00  4.112069E+00
    7.5250  5.034700E+00  4.138809E+00
    7.5750  5.087104E+00  4.166188E+00
    7.6250  5.635375E+00  4.196919E+00
    7.6750  5.908924E+00  4.229566E+00
    7.7250  4.820161E+00  4.256545E+00
    7.7750  4.772443E+00  4.283605E+00
    7.8250  5.309291E+00  4.314096E+00
    7.8750  5.571432E+00  4.346504E+00
    7.9250  5.013547E+00  4.376038E+00
    7.9750  4.616360E+00  4.403576E+00
    8.0250  5.193312E+00  4.434946E+00
    8.0750  5.429380E+00  4.468151E+00
    8.1250  5.285415E+00  4.500878E+00
    8.1750  6.277886E+00  4.540230E+00
    8.2250  5.862139E+00  4.577427E+00
    8.2750  5.605090E+00  4.613426E+00
    8.3250  5.476567E+00  4.649026E+00
    8.3750  5.447770E+00  4.684866E+00
    8.4250  5.719007E+00  4.722941E+00
    8.4750  5.331817E+00  4.758860E+00
    8.5250  5.328006E+00  4.795179E+00
    8.5750  5.242906E+00  4.831338E+00
    8.6250  4.919176E+00  4.865661E+00
    8.6750  4.693008E+00  4.898787E+00
    8.7250  4.449328E+00  4.930556E+00
    8.7750  4.122463E+00  4.960329E+00
    8.8250  4.174228E+00  4.990821E+00
    8.8750  4.159740E+00  5.021552E+00
    8.9250  3.942323E+00  5.051006E+00
    8.9750  4.130951E+00  5.082216E+00
    9.0250  4.012168E+00  5.112867E+00
    9.0750  3.709740E+00  5.141523E+00
    9.1250  3.822506E+00  5.171376E+00
    9.1750  3.447343E+00  5.198595E+00
    9.2250  3.120069E+00  5.223499E+00
    9.2750  2.858988E+00  5.246568E+00
    9.3250  3.092657E+00  5.271791E+00
    9.3750  2.769273E+00  5.294620E+00
    9.4250  2.807031E+00  5.318008E+00
    9.4750  2.531018E+00  5.339320E+00
    9.5250  2.438854E+00  5.360073E+00
    9.5750  2.459862E+00  5.381226E+00
    9.6250  2.305763E+00  5.401261E+00
    9.6750  2.554740E+00  5.423691E+00
    9.7250  2.357569E+00  5.444604E+00
    9.7750  2.182102E+00  5.464160E+00
    9.8250  2.186397E+00  5.483956E+00
    9.8750  2.077042E+00  5.502953E+00
    9.9250  2.168479E+00  5.522989E+00
    9.9750  1.907311E+00  5.540789E+00
   10.0250  1.913737E+00  5.558828E+00
   10.0750  1.718724E+00  5.575192E+00
   10.1250  1.651983E+00  5.591076E+00
   10.1750  1.791968E+00  5.608477E+00
   10.2250  1.937282E+00  5.627474E+00
   10.2750  1.926534E+00  5.646552E+00
   10.3250  1.684399E+00  5.663394E+00
   10.3750  1.739358E+00  5.680955E+00
   10.4250  1.652239E+00  5.697797E+00
   10.4750  1.465873E+00  5.712883E+00
   10.5250  1.352107E+00  5.726932E+00
   10.5750  1.392621E+00  5.741539E+00
   10.6250  1.289083E+00  5.755188E+00
   10.6750  1.284503E+00  5.768918E+00
   10.7250  1.161576E+00  5.781450E+00
   10.7750  9.235886E-01  5.791507E+00
   10.8250  9.949640E-01  5.802443E+00
   10.8750  1.014619E+00  5.813697E+00
   10.9250  7.843184E-01  5.822478E+00
   10.9750  7.347962E-01  5.830779E+00
   11.0250  6.231254E-01  5.837883E+00
   11.0750  4.301767E-01  5.842832E+00
   11.1250  5.982213E-01  5.849777E+00
   11.1750  6.065095E-01  5.856881E+00
   11.2250  6.348890E-01  5.864384E+00
   11.2750  5.288550E-01  5.870690E+00
   11.3250  5.175602E-01  5.876916E+00
   11.3750  4.538256E-01  5.882423E+00
   11.4250  4.759410E-01  5.888250E+00
   11.4750  4.976546E-01  5.894397E+00
   11.5250  3.395758E-01  5.898627E+00
   11.5750  3.112410E-01  5.902538E+00
   11.6250  2.959747E-01  5.906290E+00
   11.6750  3.808542E-01  5.911159E+00
   11.7250  2.785669E-01  5.914751E+00
   11.7750  3.191716E-01  5.918902E+00
   11.8250  2.738753E-01  5.922494E+00
   11.8750  2.293291E-01  5.925527E+00
   11.9250  2.453634E-01  5.928799E+00
   11.9750  2.255149E-01  5.931833E+00
   12.0250  1.942167E-01  5.934467E+00
   12.0750  1.809382E-01  5.936941E+00
   12.1250  1.505056E-01  5.939017E+00
   12.1750  1.607544E-01  5.941252E+00
   12.2250  1.252760E-01  5.943008E+00
   12.2750  1.299055E-01  5.944844E+00
   12.3250  8.403499E-02  5.946041E+00
   12.3750  3.890007E-02  5.946600E+00
   12.4250  6.615021E-02  5.947557E+00
   12.4750  1.093684E-01  5.949154E+00
   12.5250  1.030721E-01  5.950670E+00
   12.5750  8.610865E-02  5.951948E+00
   12.6250  8.542796E-02  5.953225E+00
   12.6750  7.416089E-02  5.954342E+00
   12.7250  1.629254E-01  5.956817E+00
   12.7750  1.251504E-01  5.958732E+00
   12.8250  2.173088E-01  5.962085E+00
   12.8750  7.700867E-02  5.963282E+00
   12.9250  7.641401E-02  5.964480E+00
   12.9750  1.162669E-01  5.966315E+00
   13.0250  9.531055E-02  5.967832E+00
   13.0750  1.194733E-01  5.969748E+00
   13.1250  1.086843E-01  5.971504E+00
   13.1750  1.225693E-01  5.973499E+00
   13.2250  1.265100E-01  5.975575E+00
   13.2750  9.658369E-02  5.977171E+00
   13.3250  1.246183E-01  5.979246E+00
   13.3750  9.990209E-02  5.980923E+00
   13.4250  8.971558E-02  5.982439E+00
   13.4750  1.124855E-01  5.984355E+00
   13.5250  1.256123E-01  5.986510E+00
   13.5750  9.236197E-02  5.988107E+00
   13.6250  7.793253E-02  5.989464E+00
   13.6750  7.736368E-02  5.990821E+00
   13.7250  5.873021E-02  5.991858E+00
   13.7750  7.175954E-02  5.993135E+00
   13.8250  4.007330E-02  5.993854E+00
   13.8750  8.841112E-02  5.995450E+00
   13.9250  3.072207E-02  5.996009E+00
   13.9750  3.050263E-02  5.996568E+00

g(r)  :Oe      K       

        r      g(r)         n(r)

    2.3250  0.000000E+00  0.000000E+00
    2.3750  0.000000E+00  0.000000E+00
    2.4250  2.572657E-01  7.982120E-05
    2.4750  0.000000E+00  7.982120E-05
    2.5250  1.661047E+00  6.385696E-04
    2.5750  4.563339E+00  2.234994E-03
    2.6250  8.782317E+00  5.427842E-03
    2.6750  1.437704E+01  1.085568E-02
    2.7250  2.078145E+01  1.899745E-02
    2.7750  3.261303E+01  3.224777E-02
    2.8250  2.919398E+01  4.454023E-02
    2.8750  2.891953E+01  5.715198E-02
    2.9250  2.776247E+01  6.968391E-02
    2.9750  2.769183E+01  8.261494E-02
    3.0250  1.868266E+01  9.163474E-02
    3.0750  1.936005E+01  1.012931E-01
    3.1250  1.487246E+01  1.089559E-01
    3.1750  1.155620E+01  1.151022E-01
    3.2250  9.746025E+00  1.204502E-01
    3.2750  1.128443E+01  1.268359E-01
    3.3250  9.305469E+00  1.322637E-01
    3.3750  6.109746E+00  1.359355E-01
    3.4250  4.642955E+00  1.388091E-01
    3.4750  5.512599E+00  1.423212E-01
    3.5250  5.722597E+00  1.460728E-01
    3.5750  4.379892E+00  1.490262E-01
    3.6250  4.835565E+00  1.523787E-01
    3.6750  2.800525E+00  1.543742E-01
    3.7250  2.616815E+00  1.562899E-01
    3.7750  3.397274E+00  1.588442E-01
    3.8250  3.826075E+00  1.617976E-01
    3.8750  5.340074E+00  1.660281E-01
    3.9250  2.062315E+00  1.677043E-01
    3.9750  2.776763E+00  1.700192E-01
    4.0250  3.175137E+00  1.727331E-01
    4.0750  2.733263E+00  1.751277E-01
    4.1250  2.934145E+00  1.777618E-01
    4.1750  3.124677E+00  1.806354E-01
    4.2250  4.322475E+00  1.847063E-01
    4.2750  4.304741E+00  1.888570E-01
    4.3250  3.801383E+00  1.926086E-01
    4.3750  3.873077E+00  1.965198E-01
    4.4250  3.013383E+00  1.996328E-01
    4.4750  3.475266E+00  2.033046E-01
    4.5250  3.694445E+00  2.072957E-01
    4.5750  3.397287E+00  2.110473E-01
    4.6250  1.838935E+00  2.131226E-01
    4.6750  3.253504E+00  2.168742E-01
    4.7250  2.710648E+00  2.200670E-01
    4.7750  2.455115E+00  2.230204E-01
    4.8250  1.884605E+00  2.253352E-01
    4.8750  1.782485E+00  2.275702E-01
    4.9250  2.494966E+00  2.307631E-01
    4.9750  2.995209E+00  2.346743E-01
    5.0250  2.396653E+00  2.378672E-01
    5.0750  2.349661E+00  2.410600E-01
    5.1250  1.382423E+00  2.429757E-01
    5.1750  1.355839E+00  2.448914E-01
    5.2250  1.274597E+00  2.467273E-01
    5.2750  5.980884E-01  2.476054E-01
    5.3250  4.268432E-01  2.482439E-01
    5.3750  2.618369E-01  2.486430E-01
    5.4250  2.570326E-01  2.490421E-01
    5.4750  1.009438E-01  2.492018E-01
    5.5250  4.956251E-02  2.492816E-01
    5.5750  9.735498E-02  2.494413E-01
    5.6250  4.781597E-02  2.495211E-01
    5.6750  9.395422E-02  2.496807E-01
    5.7250  9.232028E-02  2.498404E-01
    5.7750  4.536429E-02  2.499202E-01
    5.8250  4.458885E-02  2.500000E-01
    5.8750  0.000000E+00  2.500000E-01
    5.9250  0.000000E+00  2.500000E-01
    5.9750  0.000000E+00  2.500000E-01
    6.0250  0.000000E+00  2.500000E-01
    6.0750  0.000000E+00  2.500000E-01
    6.1250  0.000000E+00  2.500000E-01
    6.1750  0.000000E+00  2.500000E-01
    6.2250  0.000000E+00  2.500000E-01
    6.2750  0.000000E+00  2.500000E-01
    6.3250  0.000000E+00  2.500000E-01
    6.3750  0.000000E+00  2.500000E-01
    6.4250  0.000000E+00  2.500000E-01
    6.4750  0.000000E+00  2.500000E-01
    6.5250  0.000000E+00  2.500000E-01
    6.5750  0.000000E+00  2.500000E-01
    6.6250  0.000000E+00  2.500000E-01
    6.6750  6.791196E-02  2.501596E-01
    6.7250  1.003588E-01  2.503991E-01
    6.7750  9.888298E-02  2.506386E-01
    6.8250  3.247982E-02  2.507184E-01
    6.8750  3.200910E-02  2.507982E-01
    6.9250  9.464565E-02  2.510377E-01
    6.9750  6.219573E-02  2.511973E-01
    7.0250  1.532838E-01  2.515964E-01
    7.0750  9.067497E-02  2.518359E-01
    7.1250  8.940681E-02  2.520754E-01
    7.1750  8.816506E-02  2.523148E-01
    7.2250  8.694901E-02  2.525543E-01
    7.2750  2.858598E-02  2.526341E-01
    7.3250  2.819706E-02  2.527139E-01
    7.3750  0.000000E+00  2.527139E-01
    7.4250  5.488533E-02  2.528736E-01
    7.4750  0.000000E+00  2.528736E-01
    7.5250  2.671814E-02  2.529534E-01
    7.5750  1.318330E-01  2.533525E-01
    7.6250  7.806581E-02  2.535920E-01
    7.6750  5.136799E-02  2.537516E-01
    7.7250  5.070518E-02  2.539112E-01
    7.7750  2.002205E-01  2.545498E-01
    7.8250  2.470874E-01  2.553480E-01
    7.8750  2.195638E-01  2.560664E-01
    7.9250  2.168020E-01  2.567848E-01
    7.9750  3.806081E-01  2.580619E-01
    8.0250  3.054026E-01  2.590996E-01
    8.0750  3.016322E-01  2.601373E-01
    8.1250  2.520957E-01  2.610153E-01
    8.1750  2.942980E-01  2.620530E-01
    8.2250  2.907308E-01  2.630907E-01
    8.2750  4.860783E-01  2.648467E-01
    8.3250  5.020869E-01  2.666826E-01
    8.3750  4.961097E-01  2.685185E-01
    8.4250  8.525890E-01  2.717114E-01
    8.4750  6.529830E-01  2.741858E-01
    8.5250  6.869811E-01  2.768199E-01
    8.5750  4.938131E-01  2.787356E-01
    8.6250  4.067536E-01  2.803321E-01
    8.6750  4.422862E-01  2.820881E-01
    8.7250  6.160990E-01  2.845626E-01
    8.7750  4.322630E-01  2.863186E-01
    8.8250  4.079525E-01  2.879949E-01
    8.8750  7.299054E-01  2.910281E-01
    8.9250  7.597369E-01  2.942209E-01
    8.9750  4.507773E-01  2.961367E-01
    9.0250  5.943952E-01  2.986909E-01
    9.0750  5.327512E-01  3.010057E-01
    9.1250  7.267985E-01  3.041986E-01
    9.1750  6.290362E-01  3.069923E-01
    9.2250  5.689014E-01  3.095466E-01
    9.2750  5.627842E-01  3.121009E-01
    9.3250  5.915630E-01  3.148148E-01
    9.3750  7.746219E-01  3.184068E-01
    9.4250  6.131399E-01  3.212803E-01
    9.4750  6.235383E-01  3.242337E-01
    9.5250  7.337406E-01  3.277458E-01
    9.5750  5.610754E-01  3.304598E-01
    9.6250  7.349045E-01  3.340517E-01
    9.6750  8.404682E-01  3.382024E-01
    9.7250  8.478451E-01  3.424330E-01
    9.7750  8.391937E-01  3.466635E-01
    9.8250  7.052893E-01  3.502554E-01
    9.8750  7.602244E-01  3.541667E-01
    9.9250  1.075120E+00  3.597542E-01
    9.9750  8.819056E-01  3.643838E-01
   10.0250  9.032385E-01  3.691731E-01
   10.0750  9.241054E-01  3.741220E-01
   10.1250  7.821783E-01  3.783525E-01
   10.1750  1.081391E+00  3.842593E-01
   10.2250  1.070841E+00  3.901660E-01
   10.2750  1.175087E+00  3.967114E-01
   10.3250  1.263077E+00  4.038155E-01
   10.3750  1.138489E+00  4.102810E-01
   10.4250  1.378171E+00  4.181833E-01
   10.4750  1.433987E+00  4.264847E-01
   10.5250  1.133585E+00  4.331098E-01
   10.5750  1.217592E+00  4.402937E-01
   10.6250  1.152552E+00  4.471584E-01
   10.6750  1.168334E+00  4.541826E-01
   10.7250  1.104854E+00  4.608876E-01
   10.7750  1.342217E+00  4.691092E-01
   10.8250  1.381491E+00  4.776501E-01
   10.8750  1.381609E+00  4.862708E-01
   10.9250  1.559130E+00  4.960888E-01
   10.9750  1.256062E+00  5.040709E-01
   11.0250  1.306930E+00  5.124521E-01
   11.0750  1.171807E+00  5.200351E-01
   11.1250  1.039056E+00  5.268199E-01
   11.1750  1.247850E+00  5.350415E-01
   11.2250  1.176721E+00  5.428640E-01
   11.2750  1.344824E+00  5.518838E-01
   11.3250  1.120643E+00  5.594668E-01
   11.3750  1.204355E+00  5.676884E-01
   11.4250  1.170655E+00  5.757503E-01
   11.4750  1.206435E+00  5.841315E-01
   11.5250  1.059306E+00  5.915549E-01
   11.5750  1.140511E+00  5.996169E-01
   11.6250  1.141917E+00  6.077586E-01
   11.6750  9.545636E-01  6.146232E-01
   11.7250  1.045486E+00  6.222063E-01
   11.7750  1.080273E+00  6.301086E-01
   11.8250  1.103616E+00  6.382503E-01
   11.8750  8.690364E-01  6.447158E-01
   11.9250  1.031989E+00  6.524585E-01
   11.9750  9.811877E-01  6.598819E-01
   12.0250  1.088137E+00  6.681833E-01
   12.0750  1.182908E+00  6.772829E-01
   12.1250  1.327536E+00  6.875798E-01
   12.1750  1.122729E+00  6.963602E-01
   12.2250  1.174304E+00  7.056194E-01
   12.2750  9.538956E-01  7.132024E-01
   12.3250  1.444157E+00  7.247765E-01
   12.3750  1.531304E+00  7.371488E-01
   12.4250  1.411205E+00  7.486430E-01
   12.4750  1.691564E+00  7.625319E-01
   12.5250  1.379116E+00  7.739464E-01
   12.5750  1.530820E+00  7.867178E-01
   12.6250  1.224467E+00  7.970147E-01
   12.6750  9.888118E-01  8.053959E-01
   12.7250  1.083834E+00  8.146552E-01
   12.7750  1.186611E+00  8.248723E-01
   12.8250  9.842135E-01  8.334132E-01
   12.8750  1.031346E+00  8.424330E-01
   12.9250  9.962123E-01  8.512133E-01
   12.9750  1.078417E+00  8.607918E-01
   13.0250  1.034482E+00  8.700511E-01
   13.0750  9.557860E-01  8.786718E-01
   13.1250  1.001213E+00  8.877714E-01
   13.1750  1.011060E+00  8.970307E-01
   13.2250  1.098583E+00  9.071679E-01
   13.2750  1.030226E+00  9.167465E-01
   13.3250  7.413190E-01  9.236909E-01
   13.3750  9.979637E-01  9.331098E-01
   13.4250  9.065996E-01  9.417305E-01
   13.4750  7.998969E-01  9.493934E-01
   13.5250  7.195568E-01  9.563378E-01
   13.5750  9.769844E-01  9.658365E-01
   13.6250  9.209282E-01  9.748563E-01
   13.6750  7.685804E-01  9.824393E-01
   13.7250  1.124407E+00  9.936143E-01
   13.7750  1.076393E+00  1.004390E+00
   13.8250  9.894642E-01  1.014368E+00
   13.8750  1.060933E+00  1.025144E+00
   13.9250  1.068933E+00  1.036079E+00
   13.9750  1.138765E+00  1.047813E+00

g(r)  :Oe      cl      

        r      g(r)         n(r)

    5.6250  0.000000E+00  0.000000E+00
    5.6750  0.000000E+00  0.000000E+00
    5.7250  4.616014E-02  7.982120E-05
    5.7750  4.536429E-02  1.596424E-04
    5.8250  8.917771E-02  3.192848E-04
    5.8750  4.383313E-02  3.991060E-04
    5.9250  8.619291E-02  5.587484E-04
    5.9750  4.237820E-02  6.385696E-04
    6.0250  0.000000E+00  6.385696E-04
    6.0750  4.099452E-02  7.183908E-04
    6.1250  4.032796E-02  7.982120E-04
    6.1750  0.000000E+00  7.982120E-04
    6.2250  0.000000E+00  7.982120E-04
    6.2750  7.684597E-02  9.578544E-04
    6.3250  0.000000E+00  9.578544E-04
    6.3750  3.722702E-02  1.037676E-03
    6.4250  0.000000E+00  1.037676E-03
    6.4750  3.608603E-02  1.117497E-03
    6.5250  3.553511E-02  1.197318E-03
    6.5750  3.499671E-02  1.277139E-03
    6.6250  6.894091E-02  1.436782E-03
    6.6750  1.358239E-01  1.756066E-03
    6.7250  1.672647E-01  2.155172E-03
    6.7750  3.296099E-01  2.953384E-03
    6.8250  3.247982E-01  3.751596E-03
    6.8750  1.600455E-01  4.150702E-03
    6.9250  3.470340E-01  5.028736E-03
    6.9750  1.865872E-01  5.507663E-03
    7.0250  1.839406E-01  5.986590E-03
    7.0750  3.022499E-01  6.784802E-03
    7.1250  2.086159E-01  7.343550E-03
    7.1750  2.351068E-01  7.982120E-03
    7.2250  2.318640E-01  8.620690E-03
    7.2750  2.001019E-01  9.179438E-03
    7.3250  2.537736E-01  9.897829E-03
    7.3750  3.059763E-01  1.077586E-02
    7.4250  1.646560E-01  1.125479E-02
    7.4750  2.707677E-01  1.205300E-02
    7.5250  1.335907E-01  1.245211E-02
    7.5750  1.054664E-01  1.277139E-02
    7.6250  2.081755E-01  1.340996E-02
    7.6750  4.109439E-01  1.468710E-02
    7.7250  4.056415E-01  1.596424E-02
    7.7750  3.754134E-01  1.716156E-02
    7.8250  3.953399E-01  1.843870E-02
    7.8750  2.927518E-01  1.939655E-02
    7.9250  2.168020E-01  2.011494E-02
    7.9750  3.092441E-01  2.115262E-02
    8.0250  4.463576E-01  2.266922E-02
    8.0750  5.568595E-01  2.458493E-02
    8.1250  3.437668E-01  2.578225E-02
    8.1750  4.980428E-01  2.753831E-02
    8.2250  4.472782E-01  2.913474E-02
    8.2750  1.988502E-01  2.985313E-02
    8.3250  2.182987E-01  3.065134E-02
    8.3750  1.941299E-01  3.136973E-02
    8.4250  8.525890E-02  3.168902E-02
    8.4750  3.159595E-01  3.288633E-02
    8.5250  2.081761E-01  3.368455E-02
    8.5750  1.440288E-01  3.424330E-02
    8.6250  3.457406E-01  3.560026E-02
    8.6750  1.005196E-01  3.599936E-02
    8.7250  1.788674E-01  3.671775E-02
    8.7750  2.750765E-01  3.783525E-02
    8.8250  1.942631E-01  3.863346E-02
    8.8750  1.152482E-01  3.911239E-02
    8.9250  2.659079E-01  4.022989E-02
    8.9750  1.690415E-01  4.094828E-02
    9.0250  1.671736E-01  4.166667E-02
    9.0750  2.020781E-01  4.254470E-02
    9.1250  1.816996E-01  4.334291E-02
    9.1750  1.797246E-01  4.414112E-02
    9.2250  1.955599E-01  4.501916E-02
    9.2750  2.638051E-01  4.621648E-02
    9.3250  2.609837E-01  4.741379E-02
    9.3750  2.065658E-01  4.837165E-02
    9.4250  3.406333E-01  4.996807E-02
    9.4750  3.033429E-01  5.140485E-02
    9.5250  2.167870E-01  5.244253E-02
    9.5750  2.805377E-01  5.379949E-02
    9.6250  3.266242E-01  5.539591E-02
    9.6750  4.040712E-01  5.739144E-02
    9.7250  3.359386E-01  5.906769E-02
    9.7750  3.325107E-01  6.074393E-02
    9.8250  1.724041E-01  6.162197E-02
    9.8750  2.172070E-01  6.273946E-02
    9.9250  1.996651E-01  6.377714E-02
    9.9750  2.128738E-01  6.489464E-02
   10.0250  2.258096E-01  6.609195E-02
   10.0750  2.086690E-01  6.720945E-02
   10.1250  2.804035E-01  6.872605E-02
   10.1750  7.306698E-02  6.912516E-02
   10.2250  1.736499E-01  7.008301E-02
   10.2750  1.576337E-01  7.096105E-02
   10.3250  2.838376E-01  7.255747E-02
   10.3750  3.232746E-01  7.439336E-02
   10.4250  4.733112E-01  7.710728E-02
   10.4750  3.447085E-01  7.910281E-02
   10.5250  4.370446E-01  8.165709E-02
   10.5750  3.923352E-01  8.397190E-02
   10.6250  4.288566E-01  8.652618E-02
   10.6750  4.514017E-01  8.924010E-02
   10.7250  4.340496E-01  9.187420E-02
   10.7750  4.691244E-01  9.474777E-02
   10.8250  6.068231E-01  9.849936E-02
   10.8750  6.012560E-01  1.022510E-01
   10.9250  9.253373E-01  1.080779E-01
   10.9750  7.410765E-01  1.127874E-01
   11.0250  6.099005E-01  1.166986E-01
   11.0750  6.784148E-01  1.210888E-01
   11.1250  5.256401E-01  1.245211E-01
   11.1750  5.330620E-01  1.280332E-01
   11.2250  6.363899E-01  1.322637E-01
   11.2750  6.069560E-01  1.363346E-01
   11.3250  7.903483E-01  1.416826E-01
   11.3750  7.249516E-01  1.466315E-01
   11.4250  5.795324E-01  1.506226E-01
   11.4750  5.515133E-01  1.544540E-01
   11.5250  6.378614E-01  1.589240E-01
   11.5750  6.888236E-01  1.637931E-01
   11.6250  7.500825E-01  1.691411E-01
   11.6750  6.770742E-01  1.740102E-01
   11.7250  7.153323E-01  1.791986E-01
   11.7750  4.692095E-01  1.826309E-01
   11.8250  5.626279E-01  1.867816E-01
   11.8750  5.686288E-01  1.910121E-01
   11.9250  7.234564E-01  1.964400E-01
   11.9750  6.224739E-01  2.011494E-01
   12.0250  7.219367E-01  2.066571E-01
   12.0750  6.640884E-01  2.117656E-01
   12.1250  7.615325E-01  2.176724E-01
   12.1750  7.144640E-01  2.232599E-01
   12.2250  9.313444E-01  2.306034E-01
   12.2750  8.635265E-01  2.374681E-01
   12.3250  8.465748E-01  2.442529E-01
   12.3750  9.187826E-01  2.516762E-01
   12.4250  8.232026E-01  2.583812E-01
   12.4750  8.749468E-01  2.655651E-01
   12.5250  6.847360E-01  2.712324E-01
   12.5750  6.601663E-01  2.767401E-01
   12.6250  5.790117E-01  2.816092E-01
   12.6750  5.462008E-01  2.862388E-01
   12.7250  4.204528E-01  2.898308E-01
   12.7750  6.396576E-01  2.953384E-01
   12.8250  5.059041E-01  2.997286E-01
   12.8750  5.658711E-01  3.046775E-01
   12.9250  5.252756E-01  3.093072E-01
   12.9750  5.032614E-01  3.137771E-01
   13.0250  5.618306E-01  3.188059E-01
   13.0750  6.194909E-01  3.243934E-01
   13.1250  6.235626E-01  3.300607E-01
   13.1750  5.752585E-01  3.353289E-01
   13.2250  6.141682E-01  3.409962E-01
   13.2750  4.893574E-01  3.455460E-01
   13.3250  4.942127E-01  3.501756E-01
   13.3750  6.681283E-01  3.564815E-01
   13.4250  6.463719E-01  3.626277E-01
   13.4750  5.499291E-01  3.678959E-01
   13.5250  6.451198E-01  3.741220E-01
   13.5750  8.045754E-01  3.819444E-01
   13.6250  8.475799E-01  3.902458E-01
   13.6750  9.222965E-01  3.993455E-01
   13.7250  8.593685E-01  4.078863E-01
   13.7750  9.089542E-01  4.169860E-01
   13.8250  7.994871E-01  4.250479E-01
   13.8750  1.013781E+00  4.353448E-01
   13.9250  9.831064E-01  4.454023E-01
   13.9750  1.030311E+00  4.560185E-01

g(r)  :Oe      OW      

        r      g(r)         n(r)

    2.3250  0.000000E+00  0.000000E+00
    2.3750  0.000000E+00  0.000000E+00
    2.4250  4.418687E-03  1.596424E-04
    2.4750  1.272589E-02  6.385696E-04
    2.5250  5.705887E-02  2.873563E-03
    2.5750  1.449992E-01  8.780332E-03
    2.6250  2.055213E-01  1.748084E-02
    2.6750  3.377185E-01  3.232759E-02
    2.7250  3.761797E-01  4.948914E-02
    2.7750  4.572289E-01  7.112069E-02
    2.8250  4.346754E-01  9.243295E-02
    2.8750  4.071132E-01  1.131066E-01
    2.9250  3.462379E-01  1.313059E-01
    2.9750  3.346977E-01  1.495051E-01
    3.0250  3.719998E-01  1.704183E-01
    3.0750  3.586268E-01  1.912516E-01
    3.1250  3.632080E-01  2.130428E-01
    3.1750  3.518587E-01  2.348340E-01
    3.2250  2.735760E-01  2.523148E-01
    3.2750  2.761887E-01  2.705140E-01
    3.3250  2.620689E-01  2.883142E-01
    3.3750  2.612053E-01  3.065932E-01
    3.4250  2.691408E-01  3.259898E-01
    3.4750  2.367051E-01  3.435504E-01
    3.5250  1.871671E-01  3.578384E-01
    3.5750  2.368639E-01  3.764368E-01
    3.6250  2.145551E-01  3.937580E-01
    3.6750  2.145288E-01  4.115581E-01
    3.7250  2.294083E-01  4.311143E-01
    3.7750  2.042254E-01  4.489943E-01
    3.8250  2.300026E-01  4.696679E-01
    3.8750  2.163180E-01  4.896232E-01
    3.9250  2.563837E-01  5.138889E-01
    3.9750  2.919110E-01  5.422254E-01
    4.0250  2.590402E-01  5.680077E-01
    4.0750  2.355092E-01  5.920338E-01
    4.1250  2.435788E-01  6.174968E-01
    4.1750  2.616321E-01  6.455140E-01
    4.2250  2.685777E-01  6.749681E-01
    4.2750  2.971674E-01  7.083333E-01
    4.3250  3.139521E-01  7.444125E-01
    4.3750  3.074960E-01  7.805715E-01
    4.4250  2.992592E-01  8.165709E-01
    4.4750  2.893652E-01  8.521711E-01
    4.5250  2.868131E-01  8.882503E-01
    4.5750  3.116157E-01  9.283206E-01
    4.6250  3.122033E-01  9.693487E-01
    4.6750  3.400406E-01  1.015006E+00
    4.7250  3.497590E-01  1.062979E+00
    4.7750  3.515900E-01  1.112229E+00
    4.8250  3.822910E-01  1.166906E+00
    4.8750  3.783164E-01  1.222142E+00
    4.9250  3.685312E-01  1.277059E+00
    4.9750  4.168048E-01  1.340437E+00
    5.0250  4.044352E-01  1.403177E+00
    5.0750  4.202149E-01  1.469668E+00
    5.1250  4.080983E-01  1.535520E+00
    5.1750  4.148051E-01  1.603768E+00
    5.2250  4.088079E-01  1.672334E+00
    5.2750  4.057641E-01  1.741699E+00
    5.3250  3.688549E-01  1.805955E+00
    5.3750  3.840607E-01  1.874122E+00
    5.4250  4.026191E-01  1.946919E+00
    5.4750  3.749272E-01  2.015964E+00
    5.5250  3.949867E-01  2.090038E+00
    5.5750  4.075811E-01  2.167864E+00
    5.6250  4.110439E-01  2.247765E+00
    5.6750  3.893094E-01  2.324792E+00
    5.7250  4.190090E-01  2.409163E+00
    5.7750  4.125640E-01  2.493694E+00
    5.8250  4.078093E-01  2.578704E+00
    5.8750  4.148254E-01  2.666667E+00
    5.9250  4.285794E-01  2.759100E+00
    5.9750  4.105186E-01  2.849138E+00
    6.0250  4.377357E-01  2.946759E+00
    6.0750  4.368968E-01  3.045817E+00
    6.1250  4.678890E-01  3.153656E+00
    6.1750  4.814686E-01  3.266443E+00
    6.2250  4.684006E-01  3.377953E+00
    6.2750  4.622857E-01  3.489783E+00
    6.3250  4.861839E-01  3.609275E+00
    6.3750  4.948920E-01  3.732838E+00
    6.4250  4.771477E-01  3.853847E+00
    6.4750  4.794140E-01  3.977331E+00
    6.5250  5.206165E-01  4.113506E+00
    6.5750  5.545042E-01  4.260776E+00
    6.6250  5.322528E-01  4.404294E+00
    6.6750  5.324738E-01  4.550048E+00
    6.7250  5.593472E-01  4.705460E+00
    6.7750  5.782956E-01  4.868534E+00
    6.8250  6.114140E-01  5.043503E+00
    6.8750  5.758890E-01  5.210728E+00
    6.9250  6.052625E-01  5.389049E+00
    6.9750  5.923431E-01  5.566092E+00
    7.0250  6.560782E-01  5.765006E+00
    7.0750  6.294469E-01  5.958573E+00
    7.1250  6.677357E-01  6.166826E+00
    7.1750  6.375142E-01  6.368455E+00
    7.2250  6.558511E-01  6.578784E+00
    7.2750  6.768168E-01  6.798851E+00
    7.3250  7.048997E-01  7.031210E+00
    7.3750  6.647978E-01  7.253352E+00
    7.4250  7.126713E-01  7.494732E+00
    7.4750  7.110752E-01  7.738825E+00
    7.5250  7.197837E-01  7.989224E+00
    7.5750  7.445040E-01  8.251676E+00
    7.6250  7.224812E-01  8.509738E+00
    7.6750  7.596384E-01  8.784642E+00
    7.7250  7.402570E-01  9.056034E+00
    7.7750  7.471014E-01  9.333493E+00
    7.8250  7.619865E-01  9.620131E+00
    7.8750  7.523413E-01  9.906769E+00
    7.9250  7.674958E-01  1.020291E+01
    7.9750  7.480965E-01  1.049521E+01
    8.0250  7.293213E-01  1.078376E+01
    8.0750  7.428336E-01  1.108134E+01
    8.1250  7.679646E-01  1.139280E+01
    8.1750  7.687088E-01  1.170841E+01
    8.2250  7.630403E-01  1.202554E+01
    8.2750  7.553651E-01  1.234331E+01
    8.3250  7.806260E-01  1.267569E+01
    8.3750  7.754082E-01  1.300982E+01
    8.4250  7.869161E-01  1.335297E+01
    8.4750  7.870648E-01  1.370027E+01
    8.5250  7.862620E-01  1.405133E+01
    8.5750  7.714652E-01  1.439982E+01
    8.6250  7.817587E-01  1.475710E+01
    8.6750  8.047130E-01  1.512915E+01
    8.7250  8.033674E-01  1.550487E+01
    8.7750  8.143179E-01  1.589009E+01
    8.8250  8.449888E-01  1.629438E+01
    8.8750  8.211436E-01  1.669173E+01
    8.9250  8.173515E-01  1.709171E+01
    8.9750  8.168188E-01  1.749593E+01
    9.0250  8.060386E-01  1.789927E+01
    9.0750  8.224233E-01  1.831537E+01
    9.1250  8.262305E-01  1.873803E+01
    9.1750  8.240409E-01  1.916419E+01
    9.2250  8.667366E-01  1.961734E+01
    9.2750  8.539432E-01  2.006865E+01
    9.3250  8.610968E-01  2.052866E+01
    9.3750  8.554842E-01  2.099058E+01
    9.4250  8.948450E-01  2.147893E+01
    9.4750  8.710979E-01  2.195937E+01
    9.5250  8.916209E-01  2.245634E+01
    9.5750  8.816246E-01  2.295291E+01
    9.6250  8.998373E-01  2.346504E+01
    9.6750  8.968068E-01  2.398076E+01
    9.7250  8.893948E-01  2.449753E+01
    9.7750  9.050674E-01  2.502882E+01
    9.8250  9.053007E-01  2.556569E+01
    9.8750  9.089472E-01  2.611023E+01
    9.9250  9.068027E-01  2.665900E+01
    9.9750  9.043943E-01  2.721185E+01
   10.0250  9.140118E-01  2.777618E+01
   10.0750  9.173783E-01  2.834826E+01
   10.1250  9.343217E-01  2.893670E+01
   10.1750  9.111062E-01  2.951620E+01
   10.2250  9.099223E-01  3.010065E+01
   10.2750  9.058877E-01  3.068822E+01
   10.3250  9.190731E-01  3.129015E+01
   10.3750  9.381187E-01  3.191052E+01
   10.4250  9.021233E-01  3.251285E+01
   10.4750  9.346205E-01  3.314288E+01
   10.5250  9.190761E-01  3.376836E+01
   10.5750  9.509533E-01  3.442170E+01
   10.6250  9.252209E-01  3.506338E+01
   10.6750  9.326503E-01  3.571632E+01
   10.7250  9.356089E-01  3.637747E+01
   10.7750  9.263864E-01  3.703823E+01
   10.8250  9.302666E-01  3.770793E+01
   10.8750  9.409578E-01  3.839160E+01
   10.9250  9.415087E-01  3.908198E+01
   10.9750  9.453544E-01  3.978153E+01
   11.0250  9.583913E-01  4.049721E+01
   11.0750  9.638457E-01  4.122350E+01
   11.1250  9.637047E-01  4.195626E+01
   11.1750  9.504184E-01  4.268542E+01
   11.2250  9.375363E-01  4.341116E+01
   11.2750  9.558126E-01  4.415765E+01
   11.3250  9.623843E-01  4.491595E+01
   11.3750  9.648877E-01  4.568295E+01
   11.4250  9.602432E-01  4.645299E+01
   11.4750  9.766601E-01  4.724306E+01
   11.5250  9.811162E-01  4.804366E+01
   11.5750  9.745979E-01  4.884587E+01
   11.6250  9.950750E-01  4.967201E+01
   11.6750  1.004300E+00  5.051301E+01
   11.7250  1.011914E+00  5.136766E+01
   11.7750  1.002214E+00  5.222134E+01
   11.8250  1.012712E+00  5.309132E+01
   11.8750  1.018759E+00  5.397390E+01
   11.9250  1.014528E+00  5.486023E+01
   11.9750  9.865032E-01  5.572933E+01
   12.0250  1.010484E+00  5.662700E+01
   12.0750  1.023787E+00  5.754406E+01
   12.1250  1.010500E+00  5.845674E+01
   12.1750  1.016329E+00  5.938226E+01
   12.2250  1.029071E+00  6.032711E+01
   12.2750  1.037433E+00  6.128744E+01
   12.3250  1.033652E+00  6.225208E+01
   12.3750  1.037703E+00  6.322837E+01
   12.4250  1.031893E+00  6.420706E+01
   12.4750  1.035660E+00  6.519724E+01
   12.5250  1.050681E+00  6.620985E+01
   12.5750  1.026402E+00  6.720698E+01
   12.6250  1.068012E+00  6.825279E+01
   12.6750  1.044722E+00  6.928392E+01
   12.7250  1.065414E+00  7.034379E+01
   12.7750  1.048493E+00  7.139504E+01
   12.8250  1.036621E+00  7.244253E+01
   12.8750  1.034777E+00  7.349633E+01
   12.9250  1.029742E+00  7.455316E+01
   12.9750  1.046826E+00  7.563586E+01
   13.0250  1.036277E+00  7.671592E+01
   13.0750  1.051851E+00  7.782064E+01
   13.1250  1.028768E+00  7.890940E+01
   13.1750  1.052337E+00  8.003161E+01
   13.2250  1.058732E+00  8.116922E+01
   13.2750  1.057997E+00  8.231466E+01
   13.3250  1.046559E+00  8.345626E+01
   13.3750  1.056108E+00  8.461694E+01
   13.4250  1.075506E+00  8.580779E+01
   13.4750  1.072834E+00  8.700455E+01
   13.5250  1.071309E+00  8.820849E+01
   13.5750  1.053420E+00  8.940110E+01
   13.6250  1.058651E+00  9.060848E+01
   13.6750  1.075657E+00  9.184427E+01
   13.7250  1.094665E+00  9.311111E+01
   13.7750  1.086938E+00  9.437819E+01
   13.8250  1.108525E+00  9.567984E+01
   13.8750  1.089684E+00  9.696863E+01
   13.9250  1.096346E+00  9.827466E+01
   13.9750  1.100955E+00  9.959563E+01

g(r)  :Oe      HW      

        r      g(r)         n(r)

    1.3750  0.000000E+00  0.000000E+00
    1.4250  0.000000E+00  0.000000E+00
    1.4750  8.957106E-03  2.394636E-04
    1.5250  2.793145E-02  1.037676E-03
    1.5750  9.427076E-02  3.911239E-03
    1.6250  1.525186E-01  8.860153E-03
    1.6750  2.130090E-01  1.620370E-02
    1.7250  2.925286E-01  2.689974E-02
    1.7750  3.298881E-01  3.967114E-02
    1.8250  3.842248E-01  5.539591E-02
    1.8750  3.861803E-01  7.207854E-02
    1.9250  3.172961E-01  8.652618E-02
    1.9750  2.331539E-01  9.770115E-02
    2.0250  2.645553E-01  1.110313E-01
    2.0750  2.398899E-01  1.237229E-01
    2.1250  2.143485E-01  1.356162E-01
    2.1750  2.142195E-01  1.480683E-01
    2.2250  1.771444E-01  1.588442E-01
    2.2750  1.757194E-01  1.700192E-01
    2.3250  1.490154E-01  1.799170E-01
    2.3750  1.358973E-01  1.893359E-01
    2.4250  1.513400E-01  2.002714E-01
    2.4750  1.452872E-01  2.112069E-01
    2.5250  1.558930E-01  2.234195E-01
    2.5750  1.273642E-01  2.337963E-01
    2.6250  1.376427E-01  2.454502E-01
    2.6750  1.280062E-01  2.567050E-01
    2.7250  1.251016E-01  2.681194E-01
    2.7750  1.459421E-01  2.819285E-01
    2.8250  1.684978E-01  2.984515E-01
    2.8750  1.634740E-01  3.150543E-01
    2.9250  1.495808E-01  3.307791E-01
    2.9750  1.908364E-01  3.515326E-01
    3.0250  1.888396E-01  3.727650E-01
    3.0750  2.102295E-01  3.971903E-01
    3.1250  2.022257E-01  4.214559E-01
    3.1750  2.229727E-01  4.490741E-01
    3.2250  2.342261E-01  4.790070E-01
    3.2750  2.459048E-01  5.114144E-01
    3.3250  2.491417E-01  5.452586E-01
    3.3750  2.583538E-01  5.814176E-01
    3.4250  2.652642E-01  6.196520E-01
    3.4750  2.549960E-01  6.574872E-01
    3.5250  2.347431E-01  6.933269E-01
    3.5750  2.536375E-01  7.331577E-01
    3.6250  2.313636E-01  7.705140E-01
    3.6750  2.842747E-01  8.176884E-01
    3.7250  2.677990E-01  8.633461E-01
    3.7750  2.744279E-01  9.113985E-01
    3.8250  2.637482E-01  9.588123E-01
    3.8750  2.872703E-01  1.011814E+00
    3.9250  2.724077E-01  1.063378E+00
    3.9750  3.058898E-01  1.122765E+00
    4.0250  2.867086E-01  1.179837E+00
    4.0750  2.828458E-01  1.237548E+00
    4.1250  3.073369E-01  1.301804E+00
    4.1750  3.104552E-01  1.368295E+00
    4.2250  3.100653E-01  1.436303E+00
    4.2750  3.067649E-01  1.505188E+00
    4.3250  3.268019E-01  1.580300E+00
    4.3750  3.091930E-01  1.653017E+00
    4.4250  3.214879E-01  1.730364E+00
    4.4750  3.354301E-01  1.812899E+00
    4.5250  3.404319E-01  1.898547E+00
    4.5750  3.485502E-01  1.988186E+00
    4.6250  3.507732E-01  2.080380E+00
    4.6750  3.498494E-01  2.174330E+00
    4.7250  3.648900E-01  2.274425E+00
    4.7750  3.624169E-01  2.375958E+00
    4.8250  3.722454E-01  2.482439E+00
    4.8750  3.837834E-01  2.594508E+00
    4.9250  3.840653E-01  2.708972E+00
    4.9750  3.887204E-01  2.827187E+00
    5.0250  3.771641E-01  2.944205E+00
    5.0750  3.788492E-01  3.064096E+00
    5.1250  3.846018E-01  3.188218E+00
    5.1750  4.053446E-01  3.321600E+00
    5.2250  3.845365E-01  3.450591E+00
    5.2750  3.926900E-01  3.584850E+00
    5.3250  3.910778E-01  3.721105E+00
    5.3750  4.015998E-01  3.863665E+00
    5.4250  3.778969E-01  4.000319E+00
    5.4750  4.119864E-01  4.152059E+00
    5.5250  4.209503E-01  4.309946E+00
    5.5750  4.121794E-01  4.467353E+00
    5.6250  4.266480E-01  4.633222E+00
    5.6750  4.227940E-01  4.800527E+00
    5.7250  4.374422E-01  4.976692E+00
    5.7750  4.373023E-01  5.155891E+00
    5.8250  4.552913E-01  5.345706E+00
    5.8750  4.477629E-01  5.535600E+00
    5.9250  4.722516E-01  5.739304E+00
    5.9750  4.763908E-01  5.948276E+00
    6.0250  4.708432E-01  6.158285E+00
    6.0750  4.976258E-01  6.383940E+00
    6.1250  4.966342E-01  6.612867E+00
    6.1750  4.966316E-01  6.845546E+00
    6.2250  4.965650E-01  7.081976E+00
    6.2750  5.098011E-01  7.328624E+00
    6.3250  5.155757E-01  7.582056E+00
    6.3750  5.075200E-01  7.835489E+00
    6.4250  5.105102E-01  8.094428E+00
    6.4750  5.042059E-01  8.354167E+00
    6.5250  5.210743E-01  8.626756E+00
    6.5750  5.505971E-01  8.919221E+00
    6.6250  5.528265E-01  9.217353E+00
    6.6750  5.506993E-01  9.518838E+00
    6.7250  5.523086E-01  9.825750E+00
    6.7750  5.819754E-01  1.015398E+01
    6.8250  5.684588E-01  1.047933E+01
    6.8750  5.874343E-01  1.082048E+01
    6.9250  5.925287E-01  1.116962E+01
    6.9750  5.983520E-01  1.152730E+01
    7.0250  6.038184E-01  1.189344E+01
    7.0750  6.302256E-01  1.228105E+01
    7.1250  6.293454E-01  1.267361E+01
    7.1750  6.356213E-01  1.307567E+01
    7.2250  6.368103E-01  1.348412E+01
    7.2750  6.521450E-01  1.390821E+01
    7.3250  6.817743E-01  1.435768E+01
    7.3750  6.725613E-01  1.480715E+01
    7.4250  6.794416E-01  1.526740E+01
    7.4750  6.895662E-01  1.574082E+01
    7.5250  6.929380E-01  1.622294E+01
    7.5750  7.190305E-01  1.672989E+01
    7.6250  7.257215E-01  1.724832E+01
    7.6750  7.222520E-01  1.777107E+01
    7.7250  7.193556E-01  1.829853E+01
    7.7750  7.080913E-01  1.882447E+01
    7.8250  7.320673E-01  1.937524E+01
    7.8750  7.267814E-01  1.992904E+01
    7.9250  7.391543E-01  2.049944E+01
    7.9750  7.475857E-01  2.108365E+01
    8.0250  7.442507E-01  2.167257E+01
    8.0750  7.562835E-01  2.227850E+01
    8.1250  7.564511E-01  2.289208E+01
    8.1750  7.492675E-01  2.350734E+01
    8.2250  7.625602E-01  2.414120E+01
    8.2750  7.628599E-01  2.478305E+01
    8.3250  7.655346E-01  2.543495E+01
    8.3750  7.615153E-01  2.609124E+01
    8.4250  7.816993E-01  2.677299E+01
    8.4750  7.659003E-01  2.744891E+01
    8.5250  7.842954E-01  2.814927E+01
    8.5750  7.952311E-01  2.886774E+01
    8.6250  7.786149E-01  2.957942E+01
    8.6750  7.823550E-01  3.030284E+01
    8.7250  7.917615E-01  3.104342E+01
    8.7750  8.030969E-01  3.180324E+01
    8.8250  8.018635E-01  3.257056E+01
    8.8750  8.082771E-01  3.335281E+01
    8.9250  8.192273E-01  3.415461E+01
    8.9750  8.347230E-01  3.498076E+01
    9.0250  8.309232E-01  3.581234E+01
    9.0750  8.462457E-01  3.666866E+01
    9.1250  8.305216E-01  3.751836E+01
    9.1750  8.471925E-01  3.839464E+01
    9.2250  8.428430E-01  3.927594E+01
    9.2750  8.577946E-01  4.018263E+01
    9.3250  8.538500E-01  4.109491E+01
    9.3750  8.535624E-01  4.201668E+01
    9.4250  8.619355E-01  4.295746E+01
    9.4750  8.556847E-01  4.390134E+01
    9.5250  8.648407E-01  4.486542E+01
    9.5750  8.827584E-01  4.585983E+01
    9.6250  9.003281E-01  4.688466E+01
    9.6750  8.768192E-01  4.789312E+01
    9.7250  8.999043E-01  4.893886E+01
    9.7750  8.913336E-01  4.998531E+01
    9.8250  8.996477E-01  5.105236E+01
    9.8750  8.879623E-01  5.211630E+01
    9.9250  8.955914E-01  5.320027E+01
    9.9750  8.926422E-01  5.429159E+01
   10.0250  9.073539E-01  5.541204E+01
   10.0750  9.005463E-01  5.653520E+01
   10.1250  8.992783E-01  5.766794E+01
   10.1750  9.130514E-01  5.882942E+01
   10.2250  8.992970E-01  5.998467E+01
   10.2750  9.076106E-01  6.116204E+01
   10.3250  9.067026E-01  6.234970E+01
   10.3750  9.112619E-01  6.355492E+01
   10.4250  8.996128E-01  6.475623E+01
   10.4750  9.120039E-01  6.598579E+01
   10.5250  9.273450E-01  6.724800E+01
   10.5750  9.250446E-01  6.851908E+01
   10.6250  9.347735E-01  6.981569E+01
   10.6750  9.321372E-01  7.112085E+01
   10.7250  9.431769E-01  7.245386E+01
   10.7750  9.369059E-01  7.379039E+01
   10.8250  9.349790E-01  7.513657E+01
   10.8750  9.422212E-01  7.650575E+01
   10.9250  9.431959E-01  7.788897E+01
   10.9750  9.455701E-01  7.928839E+01
   11.0250  9.425713E-01  8.069612E+01
   11.0750  9.495983E-01  8.212723E+01
   11.1250  9.419216E-01  8.355963E+01
   11.1750  9.585856E-01  8.503049E+01
   11.2250  9.523851E-01  8.650495E+01
   11.2750  9.640400E-01  8.801078E+01
   11.3250  9.486070E-01  8.950567E+01
   11.3750  9.719167E-01  9.105085E+01
   11.4250  9.581529E-01  9.258756E+01
   11.4750  9.678782E-01  9.415350E+01
   11.5250  9.638513E-01  9.572653E+01
   11.5750  9.660156E-01  9.731681E+01
   11.6250  9.657035E-01  9.892034E+01
   11.6750  9.689358E-01  1.005431E+02
   11.7250  9.818597E-01  1.022016E+02
   11.7750  9.889072E-01  1.038863E+02
   11.8250  9.898073E-01  1.055869E+02
   11.8750  9.943889E-01  1.073099E+02
   11.9250  1.003656E+00  1.090635E+02
   11.9750  1.003220E+00  1.108312E+02
   12.0250  1.008777E+00  1.126235E+02
   12.0750  1.014920E+00  1.144417E+02
   12.1250  1.008158E+00  1.162629E+02
   12.1750  1.018082E+00  1.181171E+02
   12.2250  1.025811E+00  1.200008E+02
   12.2750  1.014970E+00  1.218799E+02
   12.3250  1.023816E+00  1.237908E+02
   12.3750  1.027776E+00  1.257247E+02
   12.4250  1.029242E+00  1.276770E+02
   12.4750  1.036495E+00  1.296590E+02
   12.5250  1.029602E+00  1.316436E+02
   12.5750  1.030058E+00  1.336450E+02
   12.6250  1.030352E+00  1.356628E+02
   12.6750  1.038333E+00  1.377125E+02
   12.7250  1.034843E+00  1.397714E+02
   12.7750  1.034123E+00  1.418451E+02
   12.8250  1.033303E+00  1.439333E+02
   12.8750  1.036227E+00  1.460439E+02
   12.9250  1.040825E+00  1.481803E+02
   12.9750  1.057168E+00  1.503671E+02
   13.0250  1.053968E+00  1.525641E+02
   13.0750  1.056715E+00  1.547838E+02
   13.1250  1.053959E+00  1.570146E+02
   13.1750  1.068916E+00  1.592944E+02
   13.2250  1.047998E+00  1.615465E+02
   13.2750  1.063453E+00  1.638492E+02
   13.3250  1.058780E+00  1.661591E+02
   13.3750  1.055963E+00  1.684801E+02
   13.4250  1.059826E+00  1.708271E+02
   13.4750  1.062494E+00  1.731976E+02
   13.5250  1.069214E+00  1.756007E+02
   13.5750  1.075770E+00  1.780366E+02
   13.6250  1.076568E+00  1.804922E+02
   13.6750  1.071628E+00  1.829545E+02
   13.7250  1.082698E+00  1.854605E+02
   13.7750  1.086082E+00  1.879927E+02
   13.8250  1.080756E+00  1.905307E+02
   13.8750  1.086849E+00  1.931016E+02
   13.9250  1.080131E+00  1.956750E+02
   13.9750  1.099492E+00  1.983135E+02

g(r)  :O       O       

        r      g(r)         n(r)

    2.6750  0.000000E+00  0.000000E+00
    2.7250  0.000000E+00  0.000000E+00
    2.7750  2.210221E-01  1.596424E-04
    2.8250  2.132677E-01  3.192848E-04
    2.8750  1.029572E+00  1.117497E-03
    2.9250  5.968048E-01  1.596424E-03
    2.9750  5.769132E-01  2.075351E-03
    3.0250  3.719998E-01  2.394636E-03
    3.0750  1.620004E+00  3.831418E-03
    3.1250  1.917153E+00  5.587484E-03
    3.1750  1.350725E+00  6.864623E-03
    3.2250  2.127397E+00  8.939974E-03
    3.2750  2.221623E+00  1.117497E-02
    3.3250  1.385557E+00  1.261175E-02
    3.3750  1.942501E+00  1.468710E-02
    3.4250  2.321478E+00  1.724138E-02
    3.4750  1.409471E+00  1.883780E-02
    3.5250  3.013495E+00  2.234994E-02
    3.5750  1.731241E+00  2.442529E-02
    3.6250  2.590481E+00  2.761814E-02
    3.6750  2.772520E+00  3.113027E-02
    3.7250  2.085274E+00  3.384419E-02
    3.7750  2.627579E+00  3.735632E-02
    3.8250  2.210334E+00  4.038953E-02
    3.8750  2.380363E+00  4.374202E-02
    3.9250  3.424916E+00  4.869093E-02
    3.9750  1.831227E+00  5.140485E-02
    4.0250  3.887208E+00  5.731162E-02
    4.0750  2.357439E+00  6.098340E-02
    4.1250  3.200885E+00  6.609195E-02
    4.1750  3.027031E+00  7.104087E-02
    4.2250  4.099995E+00  7.790549E-02
    4.2750  4.656570E+00  8.588761E-02
    4.3250  4.276556E+00  9.339080E-02
    4.3750  6.313510E+00  1.047254E-01
    4.4250  6.519337E+00  1.166986E-01
    4.4750  7.224398E+00  1.302682E-01
    4.5250  8.977502E+00  1.475096E-01
    4.5750  8.863665E+00  1.649106E-01
    4.6250  8.275210E+00  1.815134E-01
    4.6750  1.300536E+01  2.081737E-01
    4.7250  1.288405E+01  2.351533E-01
    4.7750  1.463116E+01  2.664432E-01
    4.8250  1.703455E+01  3.036398E-01
    4.8750  1.582751E+01  3.389208E-01
    4.9250  1.656034E+01  3.765964E-01
    4.9750  1.904861E+01  4.208174E-01
    5.0250  2.082841E+01  4.701469E-01
    5.0750  1.956093E+01  5.174010E-01
    5.1250  2.177316E+01  5.710409E-01
    5.1750  1.989269E+01  6.210089E-01
    5.2250  1.795519E+01  6.669860E-01
    5.2750  1.712708E+01  7.116858E-01
    5.3250  1.632675E+01  7.551086E-01
    5.3750  1.702594E+01  8.012452E-01
    5.4250  1.654005E+01  8.469029E-01
    5.4750  1.283248E+01  8.829821E-01
    5.5250  1.388370E+01  9.227331E-01
    5.5750  1.478579E+01  9.658365E-01
    5.6250  1.312548E+01  1.004789E+00
    5.6750  1.289522E+01  1.043742E+00
    5.7250  1.137270E+01  1.078704E+00
    5.7750  1.270767E+01  1.118455E+00
    5.8250  1.213932E+01  1.157088E+00
    5.8750  1.237738E+01  1.197158E+00
    5.9250  1.304206E+01  1.240102E+00
    5.9750  1.182352E+01  1.279693E+00
    6.0250  1.223763E+01  1.321360E+00
    6.0750  1.217537E+01  1.363506E+00
    6.1250  1.202277E+01  1.405811E+00
    6.1750  1.205205E+01  1.448914E+00
    6.2250  1.159568E+01  1.491060E+00
    6.2750  1.266518E+01  1.537835E+00
    6.3250  1.314645E+01  1.587165E+00
    6.3750  1.306668E+01  1.636973E+00
    6.4250  1.212194E+01  1.683908E+00
    6.4750  1.152949E+01  1.729246E+00
    6.5250  1.183319E+01  1.776501E+00
    6.5750  1.181139E+01  1.824393E+00
    6.6250  1.155622E+01  1.871967E+00
    6.6750  1.134554E+01  1.919381E+00
    6.7250  1.144090E+01  1.967912E+00
    6.7750  1.105017E+01  2.015485E+00
    6.8250  1.066962E+01  2.062101E+00
    6.8750  1.022691E+01  2.107439E+00
    6.9250  9.973285E+00  2.152299E+00
    6.9750  1.158007E+01  2.205140E+00
    7.0250  1.003626E+01  2.251596E+00
    7.0750  9.656884E+00  2.296935E+00
    7.1250  9.689463E+00  2.343072E+00
    7.1750  8.761403E+00  2.385377E+00
    7.2250  9.227464E+00  2.430556E+00
    7.2750  9.197540E+00  2.476213E+00
    7.3250  8.120755E+00  2.517082E+00
    7.3750  1.042058E+01  2.570243E+00
    7.4250  9.076661E+00  2.617178E+00
    7.4750  9.869482E+00  2.668902E+00
    7.5250  1.103125E+01  2.727490E+00
    7.5750  9.847922E+00  2.780492E+00
    7.6250  9.397171E+00  2.831737E+00
    7.6750  9.159554E+00  2.882344E+00
    7.7250  8.756151E+00  2.931354E+00
    7.7750  8.108930E+00  2.977331E+00
    7.8250  7.811052E+00  3.022190E+00
    7.8750  8.535543E+00  3.071839E+00
    7.9250  8.834683E+00  3.123883E+00
    7.9750  7.948167E+00  3.171296E+00
    8.0250  7.558714E+00  3.216954E+00
    8.0750  6.917239E+00  3.259259E+00
    8.1250  6.755019E+00  3.301086E+00
    8.1750  5.832194E+00  3.337644E+00
    8.2250  5.736342E+00  3.374042E+00
    8.2750  6.040075E+00  3.412835E+00
    8.3250  4.813485E+00  3.444125E+00
    8.3750  4.076728E+00  3.470945E+00
    8.4250  3.333090E+00  3.493135E+00
    8.4750  3.744120E+00  3.518359E+00
    8.5250  3.395872E+00  3.541507E+00
    8.5750  2.661961E+00  3.559866E+00
    8.6250  2.562548E+00  3.577746E+00
    8.6750  2.872347E+00  3.598020E+00
    8.7250  2.906596E+00  3.618774E+00
    8.7750  3.227237E+00  3.642082E+00
    8.8250  3.431172E+00  3.667146E+00
    8.8750  3.068484E+00  3.689815E+00
    8.9250  3.162405E+00  3.713442E+00
    8.9750  3.148398E+00  3.737229E+00
    9.0250  2.089671E+00  3.753193E+00
    9.0750  2.872723E+00  3.775383E+00
    9.1250  2.718681E+00  3.796616E+00
    9.1750  2.628473E+00  3.817369E+00
    9.2250  3.260072E+00  3.843391E+00
    9.2750  3.027164E+00  3.867816E+00
    9.3250  2.955640E+00  3.891922E+00
    9.3750  3.369605E+00  3.919700E+00
    9.4250  3.199824E+00  3.946360E+00
    9.4750  2.521538E+00  3.967593E+00
    9.5250  2.682739E+00  3.990421E+00
    9.5750  2.821879E+00  4.014687E+00
    9.6250  3.049854E+00  4.041188E+00
    9.6750  2.672931E+00  4.064655E+00
    9.7250  2.753497E+00  4.089080E+00
    9.7750  2.903531E+00  4.115102E+00
    9.8250  2.292190E+00  4.135856E+00
    9.8750  2.670482E+00  4.160281E+00
    9.9250  2.557250E+00  4.183908E+00
    9.9750  2.411936E+00  4.206418E+00
   10.0250  2.184708E+00  4.227011E+00
   10.0750  1.961861E+00  4.245690E+00
   10.1250  2.241384E+00  4.267241E+00
   10.1750  1.742647E+00  4.284163E+00
   10.2250  1.839604E+00  4.302203E+00
   10.2750  1.725014E+00  4.319285E+00
   10.3250  2.027665E+00  4.339559E+00
   10.3750  1.723546E+00  4.356960E+00
   10.4250  1.832341E+00  4.375639E+00
   10.4750  1.566700E+00  4.391762E+00
   10.5250  2.058890E+00  4.413155E+00
   10.5750  1.872048E+00  4.432791E+00
   10.6250  1.824316E+00  4.452107E+00
   10.6750  1.657906E+00  4.469828E+00
   10.7250  1.568498E+00  4.486750E+00
   10.7750  1.495334E+00  4.503033E+00
   10.8250  1.612277E+00  4.520754E+00
   10.8750  1.755795E+00  4.540230E+00
   10.9250  1.525856E+00  4.557312E+00
   10.9750  1.639161E+00  4.575830E+00
   11.0250  1.680338E+00  4.594987E+00
   11.0750  1.373790E+00  4.610792E+00
   11.1250  1.691522E+00  4.630428E+00
   11.1750  1.662790E+00  4.649904E+00
   11.2250  1.472402E+00  4.667305E+00
   11.2750  1.365651E+00  4.683589E+00
   11.3250  1.167828E+00  4.697637E+00
   11.3750  1.420671E+00  4.714879E+00
   11.4250  8.345267E-01  4.725096E+00
   11.4750  1.215053E+00  4.740102E+00
   11.5250  1.140462E+00  4.754310E+00
   11.5750  1.143334E+00  4.768678E+00
   11.6250  1.057952E+00  4.782088E+00
   11.6750  9.240397E-01  4.793902E+00
   11.7250  8.171296E-01  4.804438E+00
   11.7750  7.488257E-01  4.814176E+00
   11.8250  5.234062E-01  4.821041E+00
   11.8750  5.552177E-01  4.828384E+00
   11.9250  5.026958E-01  4.835089E+00
   11.9750  4.866375E-01  4.841635E+00
   12.0250  6.238475E-01  4.850096E+00
   12.0750  6.070183E-01  4.858397E+00
   12.1250  5.325582E-01  4.865741E+00
   12.1750  6.430176E-01  4.874681E+00
   12.2250  7.061008E-01  4.884579E+00
   12.2750  6.890641E-01  4.894317E+00
   12.3250  5.714380E-01  4.902458E+00
   12.3750  4.223436E-01  4.908525E+00
   12.4250  5.071516E-01  4.915868E+00
   12.4750  2.624840E-01  4.919700E+00
   12.5250  2.820919E-01  4.923851E+00
   12.5750  3.767254E-01  4.929438E+00
   12.6250  2.562839E-01  4.933269E+00
   12.6750  1.695106E-01  4.935824E+00
   12.7250  2.732943E-01  4.939974E+00
   12.7750  2.503008E-01  4.943806E+00
   12.8250  2.483529E-01  4.947637E+00
   12.8750  1.232139E-01  4.949553E+00
   12.9250  1.222624E-01  4.951469E+00
   12.9750  7.077113E-02  4.952586E+00
   13.0250  1.404577E-01  4.954821E+00
   13.0750  1.692538E-01  4.957535E+00
   13.1250  1.482059E-01  4.959930E+00
   13.1750  6.863879E-02  4.961047E+00
   13.2250  7.785230E-02  4.962324E+00
   13.2750  1.159004E-01  4.964240E+00
   13.3250  1.150323E-01  4.966156E+00
   13.3750  6.660139E-02  4.967273E+00
   13.4250  8.499371E-02  4.968710E+00
   13.4750  5.624275E-02  4.969668E+00
   13.5250  1.116554E-01  4.971584E+00
   13.5750  5.541718E-02  4.972542E+00
   13.6250  4.584267E-02  4.973340E+00
   13.6750  7.281288E-02  4.974617E+00
   13.7250  5.421250E-02  4.975575E+00
   13.7750  8.072949E-02  4.977011E+00
   13.8250  7.124143E-02  4.978289E+00
   13.8750  9.725224E-02  4.980045E+00
   13.9250  8.777736E-02  4.981641E+00
   13.9750  3.486015E-02  4.982280E+00

g(r)  :O       K       

        r      g(r)         n(r)

    2.3750  0.000000E+00  0.000000E+00
    2.4250  0.000000E+00  0.000000E+00
    2.4750  7.409296E-01  2.394636E-04
    2.5250  4.033971E+00  1.596424E-03
    2.5750  3.422504E+00  2.793742E-03
    2.6250  1.514950E+01  8.301405E-03
    2.6750  1.923986E+01  1.556513E-02
    2.7250  2.465250E+01  2.522350E-02
    2.7750  2.750497E+01  3.639847E-02
    2.8250  2.578170E+01  4.725415E-02
    2.8750  2.617401E+01  5.866858E-02
    2.9250  1.874409E+01  6.712963E-02
    2.9750  1.384592E+01  7.359515E-02
    3.0250  9.754662E+00  7.830460E-02
    3.0750  5.920014E+00  8.125798E-02
    3.1250  3.873036E+00  8.325351E-02
    3.1750  2.401289E+00  8.453065E-02
    3.2250  1.745557E+00  8.548851E-02
    3.2750  2.397942E+00  8.684547E-02
    3.3250  1.778987E+00  8.788314E-02
    3.3750  1.195385E+00  8.860153E-02
    3.4250  1.547652E+00  8.955939E-02
    3.4750  5.011454E-01  8.987867E-02
    3.5250  9.740591E-01  9.051724E-02
    3.5750  3.551264E-01  9.075670E-02
    3.6250  5.756625E-01  9.115581E-02
    3.6750  0.000000E+00  9.115581E-02
    3.7250  5.451698E-01  9.155492E-02
    3.7750  3.184944E-01  9.179438E-02
    3.8250  2.068149E-01  9.195402E-02
    3.8750  4.030245E-01  9.227331E-02
    3.9250  3.928219E-01  9.259259E-02
    3.9750  4.787523E-01  9.299170E-02
    4.0250  8.404773E-01  9.371009E-02
    4.0750  9.110877E-01  9.450830E-02
    4.1250  9.780483E-01  9.538633E-02
    4.1750  1.562339E+00  9.682312E-02
    4.2250  1.356071E+00  9.810026E-02
    4.2750  5.794843E-01  9.865900E-02
    4.3250  7.279244E-01  9.937739E-02
    4.3750  1.185636E+00  1.005747E-01
    4.4250  1.158993E+00  1.017720E-01
    4.4750  6.043941E-01  1.024106E-01
    4.5250  1.330000E+00  1.038474E-01
    4.5750  1.011958E+00  1.049649E-01
    4.6250  9.901960E-01  1.060824E-01
    4.6750  6.922349E-01  1.068806E-01
    4.7250  7.454283E-01  1.077586E-01
    4.7750  9.953169E-01  1.089559E-01
    4.8250  8.448229E-01  1.099936E-01
    4.8750  1.400524E+00  1.117497E-01
    4.9250  1.372231E+00  1.135057E-01
    4.9750  1.100281E+00  1.149425E-01
    5.0250  1.917322E+00  1.174968E-01
    5.0750  1.468538E+00  1.194923E-01
    5.1250  1.497625E+00  1.215677E-01
    5.1750  1.694798E+00  1.239623E-01
    5.2250  1.773352E+00  1.265166E-01
    5.2750  1.794265E+00  1.291507E-01
    5.3250  2.561059E+00  1.329821E-01
    5.3750  1.675756E+00  1.355364E-01
    5.4250  2.416107E+00  1.392880E-01
    5.4750  1.968404E+00  1.424010E-01
    5.5250  2.230313E+00  1.459930E-01
    5.5750  1.606357E+00  1.486271E-01
    5.6250  1.721375E+00  1.515006E-01
    5.6750  1.362336E+00  1.538155E-01
    5.7250  1.754085E+00  1.568487E-01
    5.7750  1.814572E+00  1.600415E-01
    5.8250  1.783554E+00  1.632344E-01
    5.8750  1.490326E+00  1.659483E-01
    5.9250  2.284112E+00  1.701788E-01
    5.9750  2.161288E+00  1.742497E-01
    6.0250  1.292010E+00  1.767241E-01
    6.0750  1.557792E+00  1.797573E-01
    6.1250  1.209839E+00  1.821520E-01
    6.1750  1.706133E+00  1.855843E-01
    6.2250  1.444580E+00  1.885377E-01
    6.2750  1.460073E+00  1.915709E-01
    6.3250  1.399263E+00  1.945243E-01
    6.3750  1.414627E+00  1.975575E-01
    6.4250  1.246095E+00  2.002714E-01
    6.4750  1.154753E+00  2.028257E-01
    6.5250  1.563545E+00  2.063378E-01
    6.5750  1.504859E+00  2.097701E-01
    6.6250  1.034114E+00  2.121648E-01
    6.6750  1.358239E+00  2.153576E-01
    6.7250  1.873365E+00  2.198276E-01
    6.7750  1.384362E+00  2.231801E-01
    6.8250  1.526551E+00  2.269317E-01
    6.8750  1.664473E+00  2.310824E-01
    6.9250  1.766719E+00  2.355524E-01
    6.9750  1.679285E+00  2.398627E-01
    7.0250  1.686122E+00  2.442529E-01
    7.0750  1.541474E+00  2.483238E-01
    7.1250  1.549718E+00  2.524745E-01
    7.1750  9.404274E-01  2.550287E-01
    7.2250  8.984731E-01  2.575032E-01
    7.2750  8.861655E-01  2.599777E-01
    7.3250  7.895178E-01  2.622126E-01
    7.3750  5.841366E-01  2.638889E-01
    7.4250  6.311813E-01  2.657248E-01
    7.4750  3.790748E-01  2.668423E-01
    7.5250  5.610810E-01  2.685185E-01
    7.5750  5.009652E-01  2.700351E-01
    7.6250  4.423729E-01  2.713921E-01
    7.6750  4.623119E-01  2.728289E-01
    7.7250  4.816992E-01  2.743455E-01
    7.7750  5.506064E-01  2.761015E-01
    7.8250  4.694661E-01  2.776181E-01
    7.8750  6.342955E-01  2.796935E-01
    7.9250  7.226735E-01  2.820881E-01
    7.9750  6.660642E-01  2.843231E-01
    8.0250  6.812827E-01  2.866379E-01
    8.0750  5.568595E-01  2.885536E-01
    8.1250  5.041914E-01  2.903097E-01
    8.1750  4.301279E-01  2.918263E-01
    8.2250  3.801864E-01  2.931833E-01
    8.2750  3.756059E-01  2.945402E-01
    8.3250  2.837882E-01  2.955779E-01
    8.3750  3.235498E-01  2.967752E-01
    8.4250  4.689240E-01  2.985313E-01
    8.4750  4.212793E-01  3.001277E-01
    8.5250  4.163522E-01  3.017241E-01
    8.5750  4.115109E-01  3.033206E-01
    8.6250  3.660782E-01  3.047573E-01
    8.6750  4.020783E-01  3.063538E-01
    8.7250  4.571057E-01  3.081897E-01
    8.7750  6.680429E-01  3.109036E-01
    8.8250  6.604944E-01  3.136175E-01
    8.8750  6.722813E-01  3.164112E-01
    8.9250  6.647698E-01  3.192050E-01
    8.9750  8.076427E-01  3.226373E-01
    9.0250  6.315449E-01  3.253512E-01
    9.0750  6.613464E-01  3.282248E-01
    9.1250  8.358182E-01  3.318966E-01
    9.1750  7.188986E-01  3.350894E-01
    9.2250  6.755704E-01  3.381226E-01
    9.2750  7.034803E-01  3.413155E-01
    9.3250  7.307544E-01  3.446679E-01
    9.3750  6.885528E-01  3.478608E-01
    9.4250  8.686149E-01  3.519317E-01
    9.4750  8.763241E-01  3.560824E-01
    9.5250  6.336851E-01  3.591156E-01
    9.5750  9.241241E-01  3.635856E-01
    9.6250  9.308790E-01  3.681354E-01
    9.6750  9.212824E-01  3.726852E-01
    9.7250  1.103798E+00  3.781928E-01
    9.7750  1.045034E+00  3.834610E-01
    9.8250  9.560588E-01  3.883301E-01
    9.8750  5.895618E-01  3.913633E-01
    9.9250  9.829668E-01  3.964719E-01
    9.9750  7.906740E-01  4.006226E-01
   10.0250  8.580766E-01  4.051724E-01
   10.0750  8.942956E-01  4.099617E-01
   10.1250  9.740334E-01  4.152299E-01
   10.1750  8.475769E-01  4.198595E-01
   10.2250  8.827204E-01  4.247286E-01
   10.2750  8.884807E-01  4.296775E-01
   10.3250  8.657046E-01  4.345466E-01
   10.3750  8.011589E-01  4.390964E-01
   10.4250  8.630969E-01  4.440453E-01
   10.4750  7.307820E-01  4.482759E-01
   10.5250  7.921434E-01  4.529055E-01
   10.5750  6.899688E-01  4.569764E-01
   10.6250  1.018535E+00  4.630428E-01
   10.6750  8.496973E-01  4.681513E-01
   10.7250  9.996295E-01  4.742178E-01
   10.7750  8.209677E-01  4.792465E-01
   10.8250  8.521346E-01  4.845147E-01
   10.8750  9.978291E-01  4.907407E-01
   10.9250  1.178854E+00  4.981641E-01
   10.9750  1.155577E+00  5.055077E-01
   11.0250  1.070438E+00  5.123723E-01
   11.0750  8.634370E-01  5.179598E-01
   11.1250  8.434691E-01  5.234674E-01
   11.1750  9.449736E-01  5.296935E-01
   11.2250  6.604046E-01  5.340837E-01
   11.2750  8.687801E-01  5.399106E-01
   11.3250  1.002681E+00  5.466954E-01
   11.3750  7.834155E-01  5.520434E-01
   11.4250  7.186202E-01  5.569923E-01
   11.4750  7.008815E-01  5.618614E-01
   11.5250  6.378614E-01  5.663314E-01
   11.5750  6.662392E-01  5.710409E-01
   11.6250  8.508399E-01  5.771073E-01
   11.6750  9.434640E-01  5.838921E-01
   11.7250  9.134243E-01  5.905172E-01
   11.7750  7.092702E-01  5.957056E-01
   11.8250  6.167267E-01  6.002554E-01
   11.8750  7.402903E-01  6.057631E-01
   11.9250  7.660126E-01  6.115102E-01
   11.9750  8.334821E-01  6.178161E-01
   12.0250  8.474909E-01  6.242816E-01
   12.0750  8.508633E-01  6.308269E-01
   12.1250  8.747333E-01  6.376117E-01
   12.1750  8.675634E-01  6.443966E-01
   12.2250  9.414678E-01  6.518199E-01
   12.2750  1.014142E+00  6.598819E-01
   12.3250  1.045769E+00  6.682631E-01
   12.3750  1.333717E+00  6.790390E-01
   12.4250  1.499405E+00  6.912516E-01
   12.4750  1.438801E+00  7.030651E-01
   12.5250  1.330895E+00  7.140805E-01
   12.5750  1.396874E+00  7.257344E-01
   12.6250  1.252943E+00  7.362708E-01
   12.6750  1.356085E+00  7.477650E-01
   12.7250  1.280045E+00  7.587005E-01
   12.7750  1.158800E+00  7.686782E-01
   12.8250  1.296954E+00  7.799330E-01
   12.8750  1.369043E+00  7.919061E-01
   12.9250  1.068664E+00  8.013250E-01
   12.9750  1.303087E+00  8.128991E-01
   13.0250  1.409035E+00  8.255109E-01
   13.0750  1.238982E+00  8.366858E-01
   13.1250  1.053909E+00  8.462644E-01
   13.1750  9.413320E-01  8.548851E-01
   13.2250  1.012080E+00  8.642241E-01
   13.2750  9.186182E-01  8.727650E-01
   13.3250  1.013988E+00  8.822637E-01
   13.3750  9.049332E-01  8.908046E-01
   13.4250  9.821495E-01  9.001437E-01
   13.4750  7.665679E-01  9.074872E-01
   13.5250  9.180552E-01  9.163474E-01
   13.5750  1.001614E+00  9.260856E-01
   13.6250  1.067625E+00  9.365421E-01
   13.6750  1.051742E+00  9.469189E-01
   13.7250  1.028030E+00  9.571360E-01
   13.7750  1.020580E+00  9.673531E-01
   13.8250  8.786442E-01  9.762133E-01
   13.8750  8.880406E-01  9.852331E-01
   13.9250  8.192553E-01  9.936143E-01
   13.9750  8.134035E-01  1.001996E+00

g(r)  :O       cl      

        r      g(r)         n(r)

    7.3250  0.000000E+00  0.000000E+00
    7.3750  0.000000E+00  0.000000E+00
    7.4250  5.488533E-02  1.596424E-04
    7.4750  2.707677E-02  2.394636E-04
    7.5250  5.343628E-02  3.991060E-04
    7.5750  1.318330E-01  7.982120E-04
    7.6250  1.040877E-01  1.117497E-03
    7.6750  2.568399E-02  1.197318E-03
    7.7250  7.605777E-02  1.436782E-03
    7.7750  5.005512E-02  1.596424E-03
    7.8250  7.412623E-02  1.835888E-03
    7.8750  7.318794E-02  2.075351E-03
    7.9250  7.226735E-02  2.314815E-03
    7.9750  0.000000E+00  2.314815E-03
    8.0250  2.349251E-02  2.394636E-03
    8.0750  9.280992E-02  2.713921E-03
    8.1250  2.291779E-02  2.793742E-03
    8.1750  4.527662E-02  2.953384E-03
    8.2250  8.945563E-02  3.272669E-03
    8.2750  1.546613E-01  3.831418E-03
    8.3250  8.731946E-02  4.150702E-03
    8.3750  1.078499E-01  4.549808E-03
    8.4250  1.492031E-01  5.108557E-03
    8.4750  2.527676E-01  6.066411E-03
    8.5250  1.873585E-01  6.784802E-03
    8.5750  1.851799E-01  7.503193E-03
    8.6250  2.237145E-01  8.381226E-03
    8.6750  2.211431E-01  9.259259E-03
    8.7250  2.583641E-01  1.029693E-02
    8.7750  1.964832E-01  1.109515E-02
    8.8250  3.108209E-01  1.237229E-02
    8.8750  1.728723E-01  1.309068E-02
    8.9250  3.228882E-01  1.444764E-02
    8.9750  9.391194E-02  1.484674E-02
    9.0250  1.671736E-01  1.556513E-02
    9.0750  1.285951E-01  1.612388E-02
    9.1250  1.816996E-01  1.692209E-02
    9.1750  1.437797E-01  1.756066E-02
    9.2250  2.311162E-01  1.859834E-02
    9.2750  2.286311E-01  1.963602E-02
    9.3250  5.567652E-01  2.219029E-02
    9.3750  6.369113E-01  2.514368E-02
    9.4250  4.087600E-01  2.705939E-02
    9.4750  4.381620E-01  2.913474E-02
    9.5250  5.836573E-01  3.192848E-02
    9.5750  5.115687E-01  3.440294E-02
    9.6250  4.572739E-01  3.663793E-02
    9.6750  4.687226E-01  3.895275E-02
    9.7250  4.159240E-01  4.102810E-02
    9.7750  4.750153E-01  4.342273E-02
    9.8250  3.291350E-01  4.509898E-02
    9.8750  3.878696E-01  4.709451E-02
    9.9250  4.146891E-01  4.924968E-02
    9.9750  5.473897E-01  5.212324E-02
   10.0250  4.967812E-01  5.475734E-02
   10.0750  4.471478E-01  5.715198E-02
   10.1250  5.903232E-01  6.034483E-02
   10.1750  5.114688E-01  6.313857E-02
   10.2250  3.907123E-01  6.529374E-02
   10.2750  4.299100E-01  6.768838E-02
   10.3250  2.980294E-01  6.936462E-02
   10.3750  3.794963E-01  7.151980E-02
   10.4250  4.315485E-01  7.399425E-02
   10.4750  3.998618E-01  7.630907E-02
   10.5250  4.370446E-01  7.886335E-02
   10.5750  4.058640E-01  8.125798E-02
   10.6250  4.154549E-01  8.373244E-02
   10.6750  4.115721E-01  8.620690E-02
   10.7250  4.340496E-01  8.884100E-02
   10.7750  4.951868E-01  9.187420E-02
   10.8250  4.389784E-01  9.458812E-02
   10.8750  5.372926E-01  9.794061E-02
   10.9250  4.436549E-01  1.007344E-01
   10.9750  4.396217E-01  1.035281E-01
   11.0250  4.605371E-01  1.064815E-01
   11.0750  4.563881E-01  1.094349E-01
   11.1250  7.090030E-01  1.140645E-01
   11.1750  8.601682E-01  1.197318E-01
   11.2250  8.765371E-01  1.255587E-01
   11.2750  8.092747E-01  1.309866E-01
   11.3250  8.611257E-01  1.368135E-01
   11.3750  7.015661E-01  1.416028E-01
   11.4250  5.679418E-01  1.455140E-01
   11.4750  4.710843E-01  1.487867E-01
   11.5250  5.695191E-01  1.527778E-01
   11.5750  5.081485E-01  1.563697E-01
   11.6250  5.597631E-01  1.603608E-01
   11.6750  6.770742E-01  1.652299E-01
   11.7250  6.493016E-01  1.699393E-01
   11.7750  6.437991E-01  1.746488E-01
   11.8250  7.573837E-01  1.802363E-01
   11.8750  6.759172E-01  1.852650E-01
   11.9250  5.106751E-01  1.890964E-01
   11.9750  5.802723E-01  1.934866E-01
   12.0250  6.068454E-01  1.981162E-01
   12.0750  4.358080E-01  2.014687E-01
   12.1250  6.483317E-01  2.064974E-01
   12.1750  5.103314E-01  2.104885E-01
   12.2250  5.162888E-01  2.145594E-01
   12.2750  7.129114E-01  2.202267E-01
   12.3250  6.772598E-01  2.256545E-01
   12.3750  5.828836E-01  2.303640E-01
   12.4250  7.056023E-01  2.361111E-01
   12.4750  6.027411E-01  2.410600E-01
   12.5250  5.786501E-01  2.458493E-01
   12.5750  8.036808E-01  2.525543E-01
   12.6250  7.403756E-01  2.587803E-01
   12.6750  7.533804E-01  2.651660E-01
   12.7250  8.315621E-01  2.722701E-01
   12.7750  7.509024E-01  2.787356E-01
   12.8250  8.094466E-01  2.857599E-01
   12.8750  8.305527E-01  2.930236E-01
   12.9250  8.694216E-01  3.006865E-01
   12.9750  8.088129E-01  3.078704E-01
   13.0250  7.758613E-01  3.148148E-01
   13.0750  8.053382E-01  3.220785E-01
   13.1250  7.377360E-01  3.287835E-01
   13.1750  7.931594E-01  3.360473E-01
   13.2250  9.428779E-01  3.447478E-01
   13.2750  1.090323E+00  3.548851E-01
   13.3250  8.946954E-01  3.632663E-01
   13.3750  9.979637E-01  3.726852E-01
   13.4250  8.394440E-01  3.806673E-01
   13.4750  9.915389E-01  3.901660E-01
   13.5250  8.518890E-01  3.983876E-01
   13.5750  7.471057E-01  4.056513E-01
   13.6250  7.008834E-01  4.125160E-01
   13.6750  6.391353E-01  4.188218E-01
   13.7250  6.264555E-01  4.250479E-01
   13.7750  7.734084E-01  4.327905E-01
   13.8250  9.815485E-01  4.426884E-01
   13.8750  1.037357E+00  4.532248E-01
   13.9250  1.068933E+00  4.641603E-01
   13.9750  1.053551E+00  4.750160E-01

g(r)  :O       OW      

        r      g(r)         n(r)

    2.3250  0.000000E+00  0.000000E+00
    2.3750  0.000000E+00  0.000000E+00
    2.4250  6.628030E-03  2.394636E-04
    2.4750  4.878258E-02  2.075351E-03
    2.5250  1.283825E-01  7.104087E-03
    2.5750  3.135118E-01  1.987548E-02
    2.6250  4.317833E-01  3.815453E-02
    2.6750  6.064407E-01  6.481481E-02
    2.7250  7.593580E-01  9.945722E-02
    2.7750  8.149134E-01  1.380109E-01
    2.8250  6.609671E-01  1.704183E-01
    2.8750  6.067401E-01  2.012292E-01
    2.9250  4.844293E-01  2.266922E-01
    2.9750  4.007565E-01  2.484834E-01
    3.0250  3.833586E-01  2.700351E-01
    3.0750  3.778635E-01  2.919860E-01
    3.1250  3.472428E-01  3.128193E-01
    3.1750  3.209261E-01  3.326948E-01
    3.2250  2.673300E-01  3.497765E-01
    3.2750  3.258542E-01  3.712484E-01
    3.3250  2.949744E-01  3.912835E-01
    3.3750  3.056901E-01  4.126756E-01
    3.4250  2.968301E-01  4.340677E-01
    3.4750  2.915777E-01  4.556992E-01
    3.5250  2.467678E-01  4.745370E-01
    3.5750  2.846433E-01  4.968870E-01
    3.6250  2.758566E-01  5.191571E-01
    3.6750  2.664774E-01  5.412676E-01
    3.7250  2.640536E-01  5.637771E-01
    3.7750  2.762514E-01  5.879630E-01
    3.8250  2.859492E-01  6.136654E-01
    3.8750  2.838092E-01  6.398467E-01
    3.9250  3.221664E-01  6.703384E-01
    3.9750  3.100012E-01  7.004310E-01
    4.0250  2.750799E-01  7.278097E-01
    4.0750  3.067097E-01  7.590996E-01
    4.1250  3.077187E-01  7.912676E-01
    4.1750  3.234995E-01  8.259100E-01
    4.2250  3.129767E-01  8.602331E-01
    4.2750  3.007220E-01  8.939974E-01
    4.3250  3.403463E-01  9.331098E-01
    4.3750  3.699455E-01  9.766124E-01
    4.4250  3.795482E-01  1.022270E+00
    4.4750  3.977150E-01  1.071201E+00
    4.5250  3.997616E-01  1.121488E+00
    4.5750  4.382483E-01  1.177842E+00
    4.6250  4.434016E-01  1.236111E+00
    4.6750  4.387237E-01  1.295019E+00
    4.7250  4.783725E-01  1.360632E+00
    4.7750  4.444736E-01  1.422893E+00
    4.8250  4.514941E-01  1.487468E+00
    4.8750  4.493873E-01  1.553081E+00
    4.9250  4.788763E-01  1.624441E+00
    4.9750  4.451518E-01  1.692130E+00
    5.0250  4.764720E-01  1.766044E+00
    5.0750  4.565360E-01  1.838282E+00
    5.1250  4.709208E-01  1.914272E+00
    5.1750  4.681718E-01  1.991299E+00
    5.2250  4.797188E-01  2.071759E+00
    5.2750  4.888781E-01  2.155332E+00
    5.3250  5.200625E-01  2.245929E+00
    5.3750  4.852477E-01  2.332056E+00
    5.4250  4.842907E-01  2.419620E+00
    5.4750  4.698509E-01  2.506146E+00
    5.5250  4.256323E-01  2.585967E+00
    5.5750  4.539826E-01  2.672653E+00
    5.6250  4.369138E-01  2.757583E+00
    5.6750  4.421586E-01  2.845067E+00
    5.7250  4.844172E-01  2.942609E+00
    5.7750  4.643780E-01  3.037755E+00
    5.8250  4.817128E-01  3.138170E+00
    5.8750  5.134499E-01  3.247047E+00
    5.9250  5.218454E-01  3.359595E+00
    5.9750  5.029580E-01  3.469907E+00
    6.0250  5.368794E-01  3.589639E+00
    6.0750  5.168126E-01  3.706817E+00
    6.1250  5.333450E-01  3.829741E+00
    6.1750  5.325799E-01  3.954502E+00
    6.2250  5.458526E-01  4.084451E+00
    6.2750  5.708453E-01  4.222542E+00
    6.3250  5.985550E-01  4.369652E+00
    6.3750  5.741770E-01  4.513011E+00
    6.4250  5.781796E-01  4.659642E+00
    6.4750  5.835401E-01  4.809946E+00
    6.5250  5.996550E-01  4.966794E+00
    6.5750  6.260337E-01  5.133062E+00
    6.6250  6.255006E-01  5.301724E+00
    6.6750  5.942945E-01  5.464400E+00
    6.7250  6.455332E-01  5.643758E+00
    6.7750  6.275483E-01  5.820722E+00
    6.8250  6.457223E-01  6.005508E+00
    6.8750  6.503835E-01  6.194365E+00
    6.9250  6.610746E-01  6.389128E+00
    6.9750  6.532332E-01  6.584371E+00
    7.0250  6.884609E-01  6.793103E+00
    7.0750  6.691605E-01  6.998883E+00
    7.1250  6.956327E-01  7.215837E+00
    7.1750  6.910189E-01  7.434387E+00
    7.2250  6.984130E-01  7.658365E+00
    7.2750  7.003839E-01  7.886095E+00
    7.3250  6.918236E-01  8.114144E+00
    7.3750  6.953742E-01  8.346504E+00
    7.4250  6.827410E-01  8.577746E+00
    7.4750  6.678247E-01  8.806992E+00
    7.5250  6.803183E-01  9.043662E+00
    7.5750  6.890285E-01  9.286558E+00
    7.6250  6.552164E-01  9.520594E+00
    7.6750  6.738372E-01  9.764448E+00
    7.7250  6.799478E-01  1.001373E+01
    7.7750  6.806876E-01  1.026652E+01
    7.8250  6.662873E-01  1.051716E+01
    7.8750  6.731475E-01  1.077363E+01
    7.9250  6.986073E-01  1.104318E+01
    7.9750  6.962077E-01  1.131521E+01
    8.0250  7.111639E-01  1.159658E+01
    8.0750  7.103545E-01  1.188115E+01
    8.1250  7.142347E-01  1.217082E+01
    8.1750  7.206888E-01  1.246671E+01
    8.2250  7.138739E-01  1.276341E+01
    8.2750  7.234884E-01  1.306777E+01
    8.3250  7.277594E-01  1.337763E+01
    8.3750  7.424357E-01  1.369756E+01
    8.4250  7.433511E-01  1.402171E+01
    8.4750  7.318925E-01  1.434467E+01
    8.5250  7.276231E-01  1.466954E+01
    8.5750  7.029062E-01  1.498707E+01
    8.6250  7.052595E-01  1.530939E+01
    8.6750  7.325461E-01  1.564807E+01
    8.7250  7.397056E-01  1.599401E+01
    8.7750  7.355184E-01  1.634195E+01
    8.8250  7.272075E-01  1.668989E+01
    8.8750  7.361920E-01  1.704614E+01
    8.9250  7.494972E-01  1.741292E+01
    8.9750  7.522992E-01  1.778520E+01
    9.0250  7.508458E-01  1.816092E+01
    9.0750  7.686258E-01  1.854981E+01
    9.1250  7.970510E-01  1.895754E+01
    9.1750  7.920918E-01  1.936718E+01
    9.2250  8.056666E-01  1.978839E+01
    9.2750  7.732913E-01  2.019708E+01
    9.3250  7.856406E-01  2.061678E+01
    9.3750  8.064051E-01  2.105220E+01
    9.4250  8.132295E-01  2.149601E+01
    9.4750  8.152342E-01  2.194564E+01
    9.5250  8.190138E-01  2.240214E+01
    9.5750  8.266382E-01  2.286774E+01
    9.6250  8.250846E-01  2.333732E+01
    9.6750  8.292097E-01  2.381418E+01
    9.7250  8.446091E-01  2.430492E+01
    9.7750  8.199453E-01  2.478624E+01
    9.8250  8.318107E-01  2.527953E+01
    9.8750  8.497897E-01  2.578863E+01
    9.9250  8.404578E-01  2.629725E+01
    9.9750  8.430219E-01  2.681258E+01
   10.0250  8.511816E-01  2.733812E+01
   10.0750  8.619542E-01  2.787564E+01
   10.1250  8.728532E-01  2.842537E+01
   10.1750  8.474793E-01  2.896440E+01
   10.2250  8.508929E-01  2.951094E+01
   10.2750  8.645376E-01  3.007168E+01
   10.3250  8.970134E-01  3.065916E+01
   10.3750  9.101152E-01  3.126102E+01
   10.4250  9.275874E-01  3.188035E+01
   10.4750  9.153194E-01  3.249737E+01
   10.5250  9.125079E-01  3.311837E+01
   10.5750  9.194679E-01  3.375008E+01
   10.6250  9.374206E-01  3.440022E+01
   10.6750  9.390351E-01  3.505763E+01
   10.7250  9.357219E-01  3.571887E+01
   10.7750  9.369059E-01  3.638713E+01
   10.8250  9.378063E-01  3.706226E+01
   10.8750  9.297520E-01  3.773779E+01
   10.9250  9.268129E-01  3.841739E+01
   10.9750  9.455701E-01  3.911710E+01
   11.0250  9.285685E-01  3.981050E+01
   11.0750  9.360924E-01  4.051588E+01
   11.1250  9.499525E-01  4.123819E+01
   11.1750  9.532275E-01  4.196951E+01
   11.2250  9.373300E-01  4.269508E+01
   11.2750  9.472275E-01  4.343487E+01
   11.3250  9.408067E-01  4.417617E+01
   11.3750  9.484196E-01  4.493008E+01
   11.4250  9.549677E-01  4.569588E+01
   11.4750  9.458743E-01  4.646105E+01
   11.5250  9.416955E-01  4.722949E+01
   11.5750  9.435659E-01  4.800615E+01
   11.6250  9.371011E-01  4.878416E+01
   11.6750  9.435805E-01  4.957431E+01
   11.7250  9.367787E-01  5.036550E+01
   11.7750  9.581707E-01  5.118167E+01
   11.8250  9.419082E-01  5.199082E+01
   11.8750  9.600678E-01  5.282256E+01
   11.9250  9.530388E-01  5.365517E+01
   11.9750  9.761743E-01  5.451517E+01
   12.0250  9.666357E-01  5.537388E+01
   12.0750  9.656867E-01  5.623890E+01
   12.1250  9.717906E-01  5.711662E+01
   12.1750  9.879295E-01  5.801628E+01
   12.2250  9.765612E-01  5.891292E+01
   12.2750  9.734507E-01  5.981402E+01
   12.3250  9.877212E-01  6.073579E+01
   12.3750  1.005633E+00  6.168191E+01
   12.4250  1.003278E+00  6.263346E+01
   12.4750  1.014705E+00  6.360361E+01
   12.5250  1.018297E+00  6.458501E+01
   12.5750  1.029689E+00  6.558533E+01
   12.6250  1.024483E+00  6.658852E+01
   12.6750  1.008814E+00  6.758421E+01
   12.7250  1.006038E+00  6.858501E+01
   12.7750  1.003432E+00  6.959108E+01
   12.8250  1.011106E+00  7.061279E+01
   12.8750  9.983302E-01  7.162947E+01
   12.9250  9.999541E-01  7.265573E+01
   12.9750  1.011788E+00  7.370219E+01
   13.0250  1.001278E+00  7.474577E+01
   13.0750  1.016587E+00  7.581346E+01
   13.1250  1.031257E+00  7.690485E+01
   13.1750  1.038190E+00  7.801197E+01
   13.2250  1.030132E+00  7.911885E+01
   13.2750  1.051583E+00  8.025734E+01
   13.3250  1.056365E+00  8.140964E+01
   13.3750  1.056180E+00  8.257040E+01
   13.4250  1.064260E+00  8.374880E+01
   13.4750  1.063961E+00  8.493566E+01
   13.5250  1.049006E+00  8.611454E+01
   13.5750  1.051798E+00  8.730532E+01
   13.6250  1.058091E+00  8.851205E+01
   13.6750  1.053286E+00  8.972214E+01
   13.7250  1.047694E+00  9.093463E+01
   13.7750  1.051537E+00  9.216044E+01
   13.8250  1.052918E+00  9.339679E+01
   13.8750  1.056142E+00  9.464591E+01
   13.9250  1.053328E+00  9.590070E+01
   13.9750  1.065829E+00  9.717952E+01

g(r)  :O       HW      

        r      g(r)         n(r)

    1.3250  0.000000E+00  0.000000E+00
    1.3750  0.000000E+00  0.000000E+00
    1.4250  3.198879E-03  7.982120E-05
    1.4750  2.687132E-02  7.982120E-04
    1.5250  8.938064E-02  3.352490E-03
    1.5750  2.016347E-01  9.498723E-03
    1.6250  3.591567E-01  2.115262E-02
    1.6750  4.700091E-01  3.735632E-02
    1.7250  6.025215E-01  5.938697E-02
    1.7750  7.071976E-01  8.676564E-02
    1.8250  6.767818E-01  1.144636E-01
    1.8750  6.541044E-01  1.427203E-01
    1.9250  4.925978E-01  1.651501E-01
    1.9750  4.446578E-01  1.864623E-01
    2.0250  3.897042E-01  2.060983E-01
    2.0750  3.243794E-01  2.232599E-01
    2.1250  2.862775E-01  2.391443E-01
    2.1750  2.609084E-01  2.543103E-01
    2.2250  2.230708E-01  2.678799E-01
    2.2750  2.058428E-01  2.809706E-01
    2.3250  1.646380E-01  2.919061E-01
    2.3750  1.658408E-01  3.034004E-01
    2.4250  1.535494E-01  3.144955E-01
    2.4750  1.368033E-01  3.247925E-01
    2.5250  1.344959E-01  3.353289E-01
    2.5750  1.449992E-01  3.471424E-01
    2.6250  1.470703E-01  3.595945E-01
    2.6750  1.588729E-01  3.735632E-01
    2.7250  1.583454E-01  3.880109E-01
    2.7750  1.569088E-01  4.028576E-01
    2.8250  1.961737E-01  4.220945E-01
    2.8750  1.956973E-01  4.419700E-01
    2.9250  2.232323E-01  4.654374E-01
    2.9750  2.576292E-01  4.934547E-01
    3.0250  2.953281E-01  5.266603E-01
    3.0750  3.071000E-01  5.623404E-01
    3.1250  3.392602E-01  6.030492E-01
    3.1750  3.473477E-01  6.460728E-01
    3.2250  3.691403E-01  6.932471E-01
    3.2750  3.319110E-01  7.369891E-01
    3.3250  3.466830E-01  7.840837E-01
    3.3750  3.319247E-01  8.305396E-01
    3.4250  3.062445E-01  8.746807E-01
    3.4750  2.996472E-01  9.191411E-01
    3.5250  3.168248E-01  9.675128E-01
    3.5750  2.988754E-01  1.014448E+00
    3.6250  3.317200E-01  1.068008E+00
    3.6750  3.064010E-01  1.118854E+00
    3.7250  2.972944E-01  1.169540E+00
    3.7750  3.122643E-01  1.224218E+00
    3.8250  3.330154E-01  1.284084E+00
    3.8750  3.387540E-01  1.346584E+00
    3.9250  3.415638E-01  1.411239E+00
    3.9750  3.482375E-01  1.478847E+00
    4.0250  3.677088E-01  1.552043E+00
    4.0750  3.540462E-01  1.624282E+00
    4.1250  3.764400E-01  1.702985E+00
    4.1750  3.570421E-01  1.779454E+00
    4.2250  3.719328E-01  1.861031E+00
    4.2750  3.853223E-01  1.947557E+00
    4.3250  3.823687E-01  2.035441E+00
    4.3750  3.991338E-01  2.129310E+00
    4.4250  4.240058E-01  2.231322E+00
    4.4750  4.155570E-01  2.333573E+00
    4.5250  3.978579E-01  2.433669E+00
    4.5750  3.994515E-01  2.536398E+00
    4.6250  3.926837E-01  2.639607E+00
    4.6750  3.944352E-01  2.745530E+00
    4.7250  3.768202E-01  2.848898E+00
    4.7750  3.997413E-01  2.960888E+00
    4.8250  4.163345E-01  3.079981E+00
    4.8750  4.149453E-01  3.201149E+00
    4.9250  4.279890E-01  3.328704E+00
    4.9750  4.359653E-01  3.461287E+00
    5.0250  4.502300E-01  3.600974E+00
    5.0750  4.434201E-01  3.741299E+00
    5.1250  4.612748E-01  3.890166E+00
    5.1750  4.623500E-01  4.042305E+00
    5.2250  4.663932E-01  4.198755E+00
    5.2750  4.982167E-01  4.369093E+00
    5.3250  4.781367E-01  4.535680E+00
    5.3750  4.865968E-01  4.708413E+00
    5.4250  5.041568E-01  4.890725E+00
    5.4750  4.978079E-01  5.074074E+00
    5.5250  4.954360E-01  5.259898E+00
    5.5750  4.957858E-01  5.449234E+00
    5.6250  5.050789E-01  5.645594E+00
    5.6750  5.089262E-01  5.846983E+00
    5.7250  5.218782E-01  6.057152E+00
    5.7750  5.136597E-01  6.267640E+00
    5.8250  5.023905E-01  6.477091E+00
    5.8750  5.153321E-01  6.695642E+00
    5.9250  5.148135E-01  6.917704E+00
    5.9750  5.055056E-01  7.139448E+00
    6.0250  5.130777E-01  7.368295E+00
    6.0750  5.374077E-01  7.611989E+00
    6.1250  5.239941E-01  7.853528E+00
    6.1750  5.361577E-01  8.104725E+00
    6.2250  5.500438E-01  8.366619E+00
    6.2750  5.599563E-01  8.637532E+00
    6.3250  5.681888E-01  8.916826E+00
    6.3750  5.802513E-01  9.206577E+00
    6.4250  5.714127E-01  9.496408E+00
    6.4750  5.869490E-01  9.798771E+00
    6.5250  5.927887E-01  1.010888E+01
    6.5750  6.123590E-01  1.043415E+01
    6.6250  6.061110E-01  1.076102E+01
    6.6750  6.078542E-01  1.109379E+01
    6.7250  6.160863E-01  1.143614E+01
    6.7750  6.194811E-01  1.178552E+01
    6.8250  6.178294E-01  1.213913E+01
    6.8750  6.380135E-01  1.250966E+01
    6.9250  6.399419E-01  1.288673E+01
    6.9750  6.237229E-01  1.325958E+01
    7.0250  6.527873E-01  1.365541E+01
    7.0750  6.618926E-01  1.406250E+01
    7.1250  6.596738E-01  1.447398E+01
    7.1750  6.318356E-01  1.487364E+01
    7.2250  6.673005E-01  1.530164E+01
    7.2750  6.692066E-01  1.573683E+01
    7.3250  6.659135E-01  1.617585E+01
    7.3750  6.702920E-01  1.662380E+01
    7.4250  6.911074E-01  1.709195E+01
    7.4750  6.728241E-01  1.755388E+01
    7.5250  6.909877E-01  1.803464E+01
    7.5750  6.865377E-01  1.851868E+01
    7.6250  6.801334E-01  1.900455E+01
    7.6750  6.965558E-01  1.950870E+01
    7.7250  7.032441E-01  2.002435E+01
    7.7750  6.905744E-01  2.053728E+01
    7.8250  7.089382E-01  2.107064E+01
    7.8750  7.131634E-01  2.161406E+01
    7.9250  7.042963E-01  2.215757E+01
    7.9750  7.104056E-01  2.271272E+01
    8.0250  7.123744E-01  2.327642E+01
    8.0750  7.148378E-01  2.384914E+01
    8.1250  7.118729E-01  2.442656E+01
    8.1750  7.005671E-01  2.500184E+01
    8.2250  7.118573E-01  2.559355E+01
    8.2750  7.032808E-01  2.618527E+01
    8.3250  7.087312E-01  2.678879E+01
    8.3750  7.089076E-01  2.739974E+01
    8.4250  7.053690E-01  2.801493E+01
    8.4750  7.124465E-01  2.864368E+01
    8.5250  7.427297E-01  2.930691E+01
    8.5750  7.205760E-01  2.995793E+01
    8.6250  7.245590E-01  3.062021E+01
    8.6750  7.319418E-01  3.129701E+01
    8.7250  7.328786E-01  3.198252E+01
    8.7750  7.406648E-01  3.268327E+01
    8.8250  7.390524E-01  3.339049E+01
    8.8750  7.430376E-01  3.410959E+01
    8.9250  7.448485E-01  3.483860E+01
    8.9750  7.698001E-01  3.560049E+01
    9.0250  7.563491E-01  3.635744E+01
    9.0750  7.637352E-01  3.713027E+01
    9.1250  7.665453E-01  3.791451E+01
    9.1750  7.692489E-01  3.871017E+01
    9.2250  7.712383E-01  3.951660E+01
    9.2750  7.819758E-01  4.034315E+01
    9.3250  7.878072E-01  4.118487E+01
    9.3750  8.016006E-01  4.205053E+01
    9.4250  7.968479E-01  4.292026E+01
    9.4750  8.011235E-01  4.380396E+01
    9.5250  8.163644E-01  4.471400E+01
    9.5750  8.172849E-01  4.563466E+01
    9.6250  8.223497E-01  4.657072E+01
    9.6750  8.385095E-01  4.753512E+01
    9.7250  8.486618E-01  4.852131E+01
    9.7750  8.495885E-01  4.951876E+01
    9.8250  8.515292E-01  5.052874E+01
    9.8750  8.538534E-01  5.155180E+01
    9.9250  8.643973E-01  5.259802E+01
    9.9750  8.586915E-01  5.364783E+01
   10.0250  8.673416E-01  5.471887E+01
   10.0750  8.798102E-01  5.581617E+01
   10.1250  8.533354E-01  5.689104E+01
   10.1750  8.794810E-01  5.800982E+01
   10.2250  8.636930E-01  5.911933E+01
   10.2750  8.655836E-01  6.024218E+01
   10.3250  8.763552E-01  6.139009E+01
   10.3750  8.815685E-01  6.255603E+01
   10.4250  8.865818E-01  6.373994E+01
   10.4750  8.792632E-01  6.492537E+01
   10.5250  8.840653E-01  6.612867E+01
   10.5750  8.919326E-01  6.735425E+01
   10.6250  9.022601E-01  6.860576E+01
   10.6750  8.839084E-01  6.984339E+01
   10.7250  8.904832E-01  7.110193E+01
   10.7750  8.998079E-01  7.238554E+01
   10.8250  9.124707E-01  7.369931E+01
   10.8750  9.086587E-01  7.501972E+01
   10.9250  9.150018E-01  7.636159E+01
   10.9750  9.080321E-01  7.770546E+01
   11.0250  9.311339E-01  7.909610E+01
   11.0750  9.256584E-01  8.049114E+01
   11.1250  9.359903E-01  8.191451E+01
   11.1750  9.365289E-01  8.335153E+01
   11.2250  9.486729E-01  8.482024E+01
   11.2750  9.360361E-01  8.628233E+01
   11.3250  9.428834E-01  8.776820E+01
   11.3750  9.507794E-01  8.927977E+01
   11.4250  9.494433E-01  9.080252E+01
   11.4750  9.552482E-01  9.234802E+01
   11.5250  9.587648E-01  9.391276E+01
   11.5750  9.543301E-01  9.548380E+01
   11.6250  9.472922E-01  9.705675E+01
   11.6750  9.626446E-01  9.866898E+01
   11.7250  9.553971E-01  1.002828E+02
   11.7750  9.505803E-01  1.019022E+02
   11.8250  9.747546E-01  1.035769E+02
   11.8750  9.729209E-01  1.052627E+02
   11.9250  9.752865E-01  1.069668E+02
   11.9750  9.689259E-01  1.086740E+02
   12.0250  9.622778E-01  1.103837E+02
   12.0750  9.610084E-01  1.121054E+02
   12.1250  9.648530E-01  1.138483E+02
   12.1750  9.806544E-01  1.156343E+02
   12.2250  9.771698E-01  1.174287E+02
   12.2750  9.864283E-01  1.192549E+02
   12.3250  9.797240E-01  1.210836E+02
   12.3750  9.995240E-01  1.229643E+02
   12.4250  9.983969E-01  1.248582E+02
   12.4750  9.977149E-01  1.267660E+02
   12.5250  1.006040E+00  1.287051E+02
   12.5750  1.001876E+00  1.306517E+02
   12.6250  9.924886E-01  1.325955E+02
   12.6750  9.989075E-01  1.345673E+02
   12.7250  1.003630E+00  1.365641E+02
   12.7750  1.001124E+00  1.385716E+02
   12.8250  1.001903E+00  1.405964E+02
   12.8750  1.008089E+00  1.426497E+02
   12.9250  1.011154E+00  1.447252E+02
   12.9750  1.013563E+00  1.468218E+02
   13.0250  1.010774E+00  1.489287E+02
   13.0750  1.010659E+00  1.510516E+02
   13.1250  1.022809E+00  1.532166E+02
   13.1750  1.015173E+00  1.553817E+02
   13.2250  1.031617E+00  1.575987E+02
   13.2750  1.043694E+00  1.598586E+02
   13.3250  1.027936E+00  1.621011E+02
   13.3750  1.052767E+00  1.644152E+02
   13.4250  1.049013E+00  1.667382E+02
   13.4750  1.047396E+00  1.690750E+02
   13.5250  1.047089E+00  1.714284E+02
   13.5750  1.055570E+00  1.738185E+02
   13.6250  1.059455E+00  1.762351E+02
   13.6750  1.056482E+00  1.786626E+02
   13.7250  1.067834E+00  1.811342E+02
   13.7750  1.058316E+00  1.836016E+02
   13.8250  1.075419E+00  1.861272E+02
   13.8750  1.055906E+00  1.886248E+02
   13.9250  1.061871E+00  1.911548E+02
   13.9750  1.073114E+00  1.937299E+02

g(r)  :K       K       

        r      g(r)         n(r)

    3.6750  0.000000E+00  0.000000E+00
    3.7250  0.000000E+00  0.000000E+00
    3.7750  1.509900E+00  1.135235E-03
    3.8250  1.470684E+00  2.270470E-03
    3.8750  2.507708E+00  4.257131E-03
    3.9250  1.745875E+00  5.676174E-03
    3.9750  2.042676E+00  7.379027E-03
    4.0250  2.988364E+00  9.933305E-03
    4.0750  2.267596E+00  1.191997E-02
    4.1250  6.638873E+00  1.787995E-02
    4.1750  6.789423E+00  2.412374E-02
    4.2250  7.533726E+00  3.121896E-02
    4.2750  6.181166E+00  3.717894E-02
    4.3250  7.189377E+00  4.427416E-02
    4.3750  5.339752E+00  4.966652E-02
    4.4250  5.219762E+00  5.505889E-02
    4.4750  5.909631E+00  6.130268E-02
    4.5250  8.932348E+00  7.095218E-02
    4.5750  5.397108E+00  7.691216E-02
    4.6250  3.520697E+00  8.088548E-02
    4.6750  2.461280E+00  8.372357E-02
    4.7250  2.891358E+00  8.712927E-02
    4.7750  1.651489E+00  8.911594E-02
    4.8250  2.772752E+00  9.252164E-02
    4.8750  4.300598E+00  9.791401E-02
    4.9250  2.661297E+00  1.013197E-01
    4.9750  1.521376E+00  1.033064E-01
    5.0250  4.260716E+00  1.089825E-01
    5.0750  2.506305E+00  1.123883E-01
    5.1250  2.662444E+00  1.160778E-01
    5.1750  3.213840E+00  1.206187E-01
    5.2250  2.364469E+00  1.240244E-01
    5.2750  2.706501E+00  1.279977E-01
    5.3250  2.276497E+00  1.314034E-01
    5.3750  2.234341E+00  1.348091E-01
    5.4250  2.193345E+00  1.382148E-01
    5.4750  2.332923E+00  1.419044E-01
    5.5250  2.467112E+00  1.458777E-01
    5.5750  1.903831E+00  1.489996E-01
    5.6250  6.800493E-01  1.501348E-01
    5.6750  1.336238E+00  1.524053E-01
    5.7250  1.477124E+00  1.549596E-01
    5.7750  1.451657E+00  1.575138E-01
    5.8250  1.426843E+00  1.600681E-01
    5.8750  1.558511E+00  1.629062E-01
    5.9250  7.661592E-01  1.643252E-01
    5.9750  1.205424E+00  1.665957E-01
    6.0250  1.481875E+00  1.694338E-01
    6.0750  1.894858E+00  1.731233E-01
    6.1250  8.603298E-01  1.748262E-01
    6.1750  1.128605E+00  1.770966E-01
    6.2250  1.388185E+00  1.799347E-01
    6.2750  9.563054E-01  1.819214E-01
    6.3250  1.479100E+00  1.850433E-01
    6.3750  7.941764E-01  1.867461E-01
    6.4250  1.172796E+00  1.893004E-01
    6.4750  2.052894E+00  1.938414E-01
    6.5250  1.263471E+00  1.966794E-01
    6.5750  1.368760E+00  1.998013E-01
    6.6250  6.128081E-01  2.012204E-01
    6.6750  9.658590E-01  2.034908E-01
    6.7250  7.136627E-01  2.051937E-01
    6.7750  1.054752E+00  2.077480E-01
    6.8250  6.929028E-01  2.094508E-01
    6.8750  5.690507E-01  2.108699E-01
    6.9250  3.365179E-01  2.117213E-01
    6.9750  5.528509E-01  2.131403E-01
    7.0250  4.360074E-01  2.142756E-01
    7.0750  7.522664E-01  2.162622E-01
    7.1250  1.377527E+00  2.199518E-01
    7.1750  7.314435E-01  2.219384E-01
    7.2250  1.236608E+00  2.253441E-01
    7.2750  9.147515E-01  2.278984E-01
    7.3250  6.015374E-01  2.296012E-01
    7.3750  1.483522E+00  2.338584E-01
    7.4250  1.463609E+00  2.381155E-01
    7.4750  1.059002E+00  2.412374E-01
    7.5250  1.899957E+00  2.469136E-01
    7.5750  1.781210E+00  2.523059E-01
    7.6250  1.202792E+00  2.559955E-01
    7.6750  7.305669E-01  2.582659E-01
    7.7250  1.442281E+00  2.628069E-01
    7.7750  1.245816E+00  2.667802E-01
    7.8250  1.493506E+00  2.716049E-01
    7.8750  1.387860E+00  2.761459E-01
    7.9250  1.969954E+00  2.826735E-01
    7.9750  1.437853E+00  2.874982E-01
    8.0250  1.754107E+00  2.934582E-01
    8.0750  1.484959E+00  2.985668E-01
    8.1250  1.140797E+00  3.025401E-01
    8.1750  1.287868E+00  3.070810E-01
    8.2250  1.113226E+00  3.110543E-01
    8.2750  9.426972E-01  3.144601E-01
    8.3250  8.537903E-01  3.175819E-01
    8.3750  3.834665E-01  3.190010E-01
    8.4250  6.062855E-01  3.212715E-01
    8.4750  8.238352E-01  3.243934E-01
    8.5250  6.661634E-01  3.269476E-01
    8.5750  5.121025E-01  3.289343E-01
    8.6250  1.012365E+00  3.329076E-01
    8.6750  1.143689E+00  3.374486E-01
    8.7250  1.554601E+00  3.436924E-01
    8.7750  2.375264E+00  3.533418E-01
    8.8250  2.348425E+00  3.629913E-01
    8.8750  2.253743E+00  3.723570E-01
    8.9250  1.890901E+00  3.803037E-01
    8.9750  2.804837E+00  3.922236E-01
    9.0250  2.245493E+00  4.018731E-01
    9.0750  2.612726E+00  4.132255E-01
    9.1250  2.002734E+00  4.220236E-01
    9.1750  1.917063E+00  4.305378E-01
    9.2250  2.149183E+00  4.401873E-01
    9.2750  1.250632E+00  4.458635E-01
    9.3250  8.660792E-01  4.498368E-01
    9.3750  1.162889E+00  4.552292E-01
    9.4250  1.029470E+00  4.600539E-01
    9.4750  1.617829E+00  4.677168E-01
    9.5250  2.015934E+00  4.773663E-01
    9.5750  1.290840E+00  4.836100E-01
    9.6250  1.741996E+00  4.921243E-01
    9.6750  1.436698E+00  4.992195E-01
    9.7250  1.023813E+00  5.043281E-01
    9.7750  1.745241E+00  5.131262E-01
    9.8250  1.393164E+00  5.202214E-01
    9.8750  1.379092E+00  5.273166E-01
    9.9250  1.692887E+00  5.361147E-01
    9.9750  1.567832E+00  5.443451E-01
   10.0250  1.498707E+00  5.522918E-01
   10.0750  2.384788E+00  5.650631E-01
   10.1250  2.781078E+00  5.801050E-01
   10.1750  2.649896E+00  5.945793E-01
   10.2250  2.418236E+00  6.079183E-01
   10.2750  2.343806E+00  6.209735E-01
   10.3250  2.169780E+00  6.331772E-01
   10.3750  1.849068E+00  6.436782E-01
   10.4250  1.682884E+00  6.533277E-01
   10.4750  2.255159E+00  6.663829E-01
   10.5250  1.893860E+00  6.774514E-01
   10.5750  1.539277E+00  6.865333E-01
   10.6250  1.858379E+00  6.976018E-01
   10.6750  2.124243E+00  7.103732E-01
   10.7250  1.543288E+00  7.197389E-01
   10.7750  2.038664E+00  7.322265E-01
   10.8250  2.065781E+00  7.449979E-01
   10.8750  2.274254E+00  7.591883E-01
   10.9250  2.523903E+00  7.750816E-01
   10.9750  2.277659E+00  7.895558E-01
   11.0250  2.124279E+00  8.031787E-01
   11.0750  2.543713E+00  8.196396E-01
   11.1250  2.912074E+00  8.386547E-01
   11.1750  2.326089E+00  8.539804E-01
   11.2250  2.262720E+00  8.690223E-01
   11.2750  2.073436E+00  8.829289E-01
   11.3250  2.139052E+00  8.974032E-01
   11.3750  2.161863E+00  9.121612E-01
   11.4250  2.637516E+00  9.303250E-01
   11.4750  2.287759E+00  9.462182E-01
   11.5250  2.065456E+00  9.606925E-01
   11.5750  2.248400E+00  9.765858E-01
   11.6250  1.950463E+00  9.904924E-01
   11.6750  1.262885E+00  9.995743E-01
   11.7250  1.447784E+00  1.010075E+00
   11.7750  1.784694E+00  1.023130E+00
   11.8250  1.538811E+00  1.034483E+00
   11.8750  2.326967E+00  1.051795E+00
   11.9250  1.664422E+00  1.064283E+00
   11.9750  1.950653E+00  1.079041E+00
   12.0250  2.008867E+00  1.094366E+00
   12.0750  1.401964E+00  1.105151E+00
   12.1250  1.683147E+00  1.118206E+00
   12.1750  2.322575E+00  1.136370E+00
   12.2250  2.303615E+00  1.154534E+00
   12.2750  2.284887E+00  1.172698E+00
   12.3250  2.797570E+00  1.195118E+00
   12.3750  2.529122E+00  1.215553E+00
   12.4250  2.613342E+00  1.236838E+00
   12.4750  2.281343E+00  1.255570E+00
   12.5250  2.606069E+00  1.277139E+00
   12.5750  2.007076E+00  1.293884E+00
   12.6250  1.788714E+00  1.308926E+00
   12.6750  1.808113E+00  1.324251E+00
   12.7250  1.661048E+00  1.338442E+00
   12.7750  1.878801E+00  1.354619E+00
   12.8250  1.635246E+00  1.368809E+00
   12.8750  1.687472E+00  1.383567E+00
   12.9250  1.610040E+00  1.397758E+00
   12.9750  1.693514E+00  1.412800E+00
   13.0250  1.331747E+00  1.424720E+00
   13.0750  1.321581E+00  1.436640E+00
   13.1250  1.342758E+00  1.448843E+00
   13.1750  1.642489E+00  1.463885E+00
   13.2250  1.753119E+00  1.480062E+00
   13.2750  1.587311E+00  1.494820E+00
   13.3250  1.302752E+00  1.507024E+00
   13.3750  1.924510E+00  1.525188E+00
   13.4250  1.820661E+00  1.542500E+00
   13.4750  1.599794E+00  1.557826E+00
   13.5250  1.705616E+00  1.574287E+00
   13.5750  1.868220E+00  1.592451E+00
   13.6250  1.796580E+00  1.610047E+00
   13.6750  2.560137E+00  1.635306E+00
   13.7250  2.084616E+00  1.656024E+00
   13.7750  2.296305E+00  1.679012E+00
   13.8250  2.476739E+00  1.703988E+00
   13.8750  2.263325E+00  1.726976E+00
   13.9250  2.358068E+00  1.751100E+00
   13.9750  2.313681E+00  1.774940E+00

g(r)  :K       cl      

        r      g(r)         n(r)

    5.7250  0.000000E+00  0.000000E+00
    5.7750  0.000000E+00  0.000000E+00
    5.8250  1.585381E-01  2.838087E-04
    5.8750  3.117023E-01  8.514261E-04
    5.9250  2.298478E-01  1.277139E-03
    5.9750  7.533902E-02  1.419044E-03
    6.0250  1.111407E+00  3.547609E-03
    6.0750  7.287915E-01  4.966652E-03
    6.1250  1.147106E+00  7.237122E-03
    6.1750  1.481294E+00  1.021711E-02
    6.2250  1.665822E+00  1.362282E-02
    6.2750  1.366151E+00  1.646091E-02
    6.3250  1.680796E+00  2.000851E-02
    6.3750  2.316348E+00  2.497517E-02
    6.4250  2.736523E+00  3.093515E-02
    6.4750  2.822730E+00  3.717894E-02
    6.5250  1.768859E+00  4.115226E-02
    6.5750  3.297468E+00  4.867319E-02
    6.6250  4.596061E+00  5.931602E-02
    6.6750  6.398816E+00  7.435788E-02
    6.7250  4.995639E+00  8.627785E-02
    6.7750  4.570591E+00  9.734639E-02
    6.8250  4.503868E+00  1.084149E-01
    6.8750  5.861223E+00  1.230311E-01
    6.9250  5.496458E+00  1.369377E-01
    6.9750  5.528509E+00  1.511281E-01
    7.0250  6.540110E+00  1.681567E-01
    7.0750  6.394264E+00  1.850433E-01
    7.1250  6.781672E+00  2.032070E-01
    7.1750  7.418927E+00  2.233575E-01
    7.2250  6.852870E+00  2.422307E-01
    7.2750  8.740958E+00  2.666383E-01
    7.3250  8.571908E+00  2.909039E-01
    7.3750  9.247284E+00  3.174400E-01
    7.4250  9.220735E+00  3.442600E-01
    7.4750  7.268608E+00  3.656875E-01
    7.5250  8.597304E+00  3.913722E-01
    7.5750  7.827948E+00  4.150702E-01
    7.6250  9.529811E+00  4.443025E-01
    7.6750  7.533971E+00  4.677168E-01
    7.7250  8.879041E+00  4.956719E-01
    7.7750  7.830846E+00  5.206471E-01
    7.8250  7.994651E+00  5.464737E-01
    7.8750  7.503119E+00  5.710231E-01
    7.9250  8.051118E+00  5.977011E-01
    7.9750  8.035060E+00  6.246630E-01
    8.0250  7.559367E+00  6.503477E-01
    8.0750  8.332268E+00  6.790123E-01
    8.1250  8.107805E+00  7.072513E-01
    8.1750  9.135815E+00  7.394636E-01
    8.2250  7.872096E+00  7.675607E-01
    8.2750  7.934368E+00  7.962253E-01
    8.3250  8.499094E+00  8.273024E-01
    8.3750  6.902396E+00  8.528452E-01
    8.4250  7.085962E+00  8.793813E-01
    8.4750  7.377069E+00  9.073365E-01
    8.5250  6.032480E+00  9.304669E-01
    8.5750  5.889178E+00  9.533135E-01
    8.6250  6.291122E+00  9.780048E-01
    8.6750  5.718447E+00  1.000710E+00
    8.7250  5.511767E+00  1.022847E+00
    8.7750  4.715597E+00  1.042004E+00
    8.8250  4.973135E+00  1.062438E+00
    8.8750  5.156291E+00  1.083865E+00
    8.9250  6.044130E+00  1.109266E+00
    8.9750  5.309155E+00  1.131829E+00
    9.0250  5.547688E+00  1.155669E+00
    9.0750  5.519385E+00  1.179651E+00
    9.1250  5.491366E+00  1.203775E+00
    9.1750  5.495580E+00  1.228182E+00
    9.2250  5.056901E+00  1.250887E+00
    9.2750  4.846198E+00  1.272882E+00
    9.3250  4.454122E+00  1.293316E+00
    9.3750  4.804568E+00  1.315595E+00
    9.4250  3.482029E+00  1.331914E+00
    9.4750  3.954693E+00  1.350646E+00
    9.5250  4.002221E+00  1.369803E+00
    9.5750  3.637822E+00  1.387399E+00
    9.6250  3.019459E+00  1.402157E+00
    9.6750  2.902129E+00  1.416489E+00
    9.7250  3.668663E+00  1.434795E+00
    9.7750  2.983800E+00  1.449837E+00
    9.8250  2.869918E+00  1.464453E+00
    9.8750  2.978838E+00  1.479779E+00
    9.9250  2.457417E+00  1.492550E+00
    9.9750  2.865349E+00  1.507592E+00
   10.0250  3.077701E+00  1.523911E+00
   10.0750  2.676262E+00  1.538243E+00
   10.1250  2.361293E+00  1.551015E+00
   10.1750  2.104329E+00  1.562509E+00
   10.2250  2.804125E+00  1.577976E+00
   10.2750  3.209995E+00  1.595856E+00
   10.3250  2.371621E+00  1.609195E+00
   10.3750  2.648666E+00  1.624237E+00
   10.4250  2.623320E+00  1.639279E+00
   10.4750  3.015050E+00  1.656733E+00
   10.5250  3.277835E+00  1.675890E+00
   10.5750  3.343117E+00  1.695615E+00
   10.6250  3.121123E+00  1.714205E+00
   10.6750  3.209968E+00  1.733504E+00
   10.7250  3.203491E+00  1.752945E+00
   10.7750  3.637162E+00  1.775223E+00
   10.8250  3.534781E+00  1.797077E+00
   10.8750  3.183956E+00  1.816943E+00
   10.9250  2.906996E+00  1.835249E+00
   10.9750  3.237848E+00  1.855825E+00
   11.0250  3.097907E+00  1.875692E+00
   11.0750  3.069998E+00  1.895558E+00
   11.1250  3.238052E+00  1.916702E+00
   11.1750  2.929149E+00  1.936001E+00
   11.2250  3.201962E+00  1.957287E+00
   11.2750  3.850666E+00  1.983113E+00
   11.3250  3.565087E+00  2.007237E+00
   11.3750  3.034923E+00  2.027955E+00
   11.4250  3.193868E+00  2.049950E+00
   11.4750  2.798419E+00  2.069391E+00
   11.5250  3.017186E+00  2.090535E+00
   11.5750  3.151776E+00  2.112814E+00
   11.6250  2.786376E+00  2.132681E+00
   11.6750  3.019085E+00  2.154392E+00
   11.7250  3.169472E+00  2.177380E+00
   11.7750  3.065017E+00  2.199801E+00
   11.8250  3.231504E+00  2.223641E+00
   11.8750  3.032687E+00  2.246204E+00
   11.9250  3.517984E+00  2.272598E+00
   11.9750  3.957574E+00  2.302540E+00
   12.0250  3.831729E+00  2.331772E+00
   12.0750  3.744721E+00  2.360579E+00
   12.1250  3.256523E+00  2.385838E+00
   12.1750  3.229831E+00  2.411097E+00
   12.2250  2.915513E+00  2.434085E+00
   12.2750  2.659751E+00  2.455229E+00
   12.3250  2.886101E+00  2.478360E+00
   12.3750  2.476432E+00  2.498368E+00
   12.4250  3.223121E+00  2.524620E+00
   12.4750  2.955376E+00  2.548886E+00
   12.5250  2.657504E+00  2.570881E+00
   12.5750  2.228194E+00  2.589471E+00
   12.6250  2.143082E+00  2.607493E+00
   12.6750  2.946555E+00  2.632468E+00
   12.7250  2.923444E+00  2.657443E+00
   12.7750  2.570991E+00  2.679580E+00
   12.8250  2.322049E+00  2.699730E+00
   12.8750  2.433854E+00  2.721016E+00
   12.9250  2.640466E+00  2.744288E+00
   12.9750  3.115428E+00  2.771960E+00
   13.0250  2.790326E+00  2.796935E+00
   13.0750  2.580229E+00  2.820207E+00
   13.1250  2.310792E+00  2.841209E+00
   13.1750  2.277791E+00  2.862069E+00
   13.2250  2.875730E+00  2.888605E+00
   13.2750  2.518330E+00  2.912019E+00
   13.3250  2.408577E+00  2.934582E+00
   13.3750  2.180109E+00  2.955158E+00
   13.4250  2.178824E+00  2.975876E+00
   13.4750  2.414504E+00  2.999007E+00
   13.5250  2.411388E+00  3.022279E+00
   13.5750  2.437444E+00  3.045977E+00
   13.6250  2.521007E+00  3.070668E+00
   13.6750  2.272481E+00  3.093089E+00
   13.7250  2.484405E+00  3.117781E+00
   13.7750  2.551450E+00  3.143323E+00
   13.8250  2.701897E+00  3.170569E+00
   13.8750  2.822170E+00  3.199234E+00
   13.9250  2.954521E+00  3.229459E+00
   13.9750  2.726838E+00  3.257556E+00

g(r)  :K       OW      

        r      g(r)         n(r)

    2.4250  0.000000E+00  0.000000E+00
    2.4750  0.000000E+00  0.000000E+00
    2.5250  3.985064E-02  1.560948E-03
    2.5750  3.518299E-01  1.589329E-02
    2.6250  1.498357E+00  7.932454E-02
    2.6750  4.115565E+00  2.602526E-01
    2.7250  7.953624E+00  6.231020E-01
    2.7750  1.143991E+01  1.164325E+00
    2.8250  1.274324E+01  1.789130E+00
    2.8750  1.362284E+01  2.480914E+00
    2.9250  1.203531E+01  3.113523E+00
    2.9750  1.050677E+01  3.684830E+00
    3.0250  9.233420E+00  4.203917E+00
    3.0750  7.235437E+00  4.624237E+00
    3.1250  5.799502E+00  4.972187E+00
    3.1750  4.571156E+00  5.255286E+00
    3.2250  3.784260E+00  5.497091E+00
    3.2750  3.101066E+00  5.701433E+00
    3.3250  2.895685E+00  5.898113E+00
    3.3750  2.368465E+00  6.063857E+00
    3.4250  1.976899E+00  6.206329E+00
    3.4750  1.889815E+00  6.346530E+00
    3.5250  1.860750E+00  6.488577E+00
    3.5750  1.780150E+00  6.628352E+00
    3.6250  1.632948E+00  6.760182E+00
    3.6750  1.744449E+00  6.904924E+00
    3.7250  1.691275E+00  7.049099E+00
    3.7750  1.651633E+00  7.193699E+00
    3.8250  1.676621E+00  7.344402E+00
    3.8750  1.824378E+00  7.512700E+00
    3.9250  1.806681E+00  7.683695E+00
    3.9750  1.910624E+00  7.869164E+00
    4.0250  2.003173E+00  8.068540E+00
    4.0750  2.140708E+00  8.286931E+00
    4.1250  2.166503E+00  8.513410E+00
    4.1750  2.238160E+00  8.753086E+00
    4.2250  2.340775E+00  9.009791E+00
    4.2750  2.363437E+00  9.275153E+00
    4.3250  2.495564E+00  9.561941E+00
    4.3750  2.685027E+00  9.877678E+00
    4.4250  2.654183E+00  1.019696E+01
    4.4750  2.800513E+00  1.054151E+01
    4.5250  2.858542E+00  1.090109E+01
    4.5750  2.964142E+00  1.128225E+01
    4.6250  3.110965E+00  1.169107E+01
    4.6750  3.163143E+00  1.211579E+01
    4.7250  3.179321E+00  1.255187E+01
    4.7750  3.141453E+00  1.299191E+01
    4.8250  3.256264E+00  1.345764E+01
    4.8750  3.222857E+00  1.392820E+01
    4.9250  3.322495E+00  1.442330E+01
    4.9750  3.440827E+00  1.494650E+01
    5.0250  3.422091E+00  1.547737E+01
    5.0750  3.315533E+00  1.600199E+01
    5.1250  3.442866E+00  1.655754E+01
    5.1750  3.335259E+00  1.710629E+01
    5.2250  3.165129E+00  1.763715E+01
    5.2750  3.311276E+00  1.820321E+01
    5.3250  3.276266E+00  1.877395E+01
    5.3750  3.058894E+00  1.931687E+01
    5.4250  3.094595E+00  1.987640E+01
    5.4750  3.047578E+00  2.043763E+01
    5.5250  3.052445E+00  2.101008E+01
    5.5750  2.975644E+00  2.157826E+01
    5.6250  2.925899E+00  2.214701E+01
    5.6750  2.991474E+00  2.273890E+01
    5.7250  2.942268E+00  2.333135E+01
    5.7750  2.905393E+00  2.392664E+01
    5.8250  2.778124E+00  2.450575E+01
    5.8750  2.817366E+00  2.510316E+01
    5.9250  2.677244E+00  2.568057E+01
    5.9750  2.688266E+00  2.627019E+01
    6.0250  2.745641E+00  2.688250E+01
    6.0750  2.641174E+00  2.748134E+01
    6.1250  2.705975E+00  2.810501E+01
    6.1750  2.787119E+00  2.875791E+01
    6.2250  2.789019E+00  2.942188E+01
    6.2750  2.787573E+00  3.009621E+01
    6.3250  2.742520E+00  3.077026E+01
    6.3750  2.772418E+00  3.146247E+01
    6.4250  2.775878E+00  3.216645E+01
    6.4750  2.683589E+00  3.285767E+01
    6.5250  2.873190E+00  3.360920E+01
    6.5750  2.784776E+00  3.434880E+01
    6.6250  2.817631E+00  3.510856E+01
    6.6750  2.812903E+00  3.587853E+01
    6.7250  2.817197E+00  3.666127E+01
    6.7750  2.848232E+00  3.746445E+01
    6.8250  2.783843E+00  3.826110E+01
    6.8750  2.845634E+00  3.908741E+01
    6.9250  2.782534E+00  3.990719E+01
    6.9750  2.812576E+00  4.074784E+01
    7.0250  2.815742E+00  4.160153E+01
    7.0750  2.769624E+00  4.245324E+01
    7.1250  2.831898E+00  4.333646E+01
    7.1750  2.743212E+00  4.420406E+01
    7.2250  2.737677E+00  4.508202E+01
    7.2750  2.722433E+00  4.596722E+01
    7.3250  2.741357E+00  4.687087E+01
    7.3750  2.760794E+00  4.779339E+01
    7.4250  2.607263E+00  4.867646E+01
    7.4750  2.658071E+00  4.958890E+01
    7.5250  2.755028E+00  5.054733E+01
    7.5750  2.622168E+00  5.147169E+01
    7.6250  2.660197E+00  5.242188E+01
    7.6750  2.634668E+00  5.337534E+01
    7.7250  2.737693E+00  5.437903E+01
    7.7750  2.710619E+00  5.538570E+01
    7.8250  2.668922E+00  5.638967E+01
    7.8750  2.633276E+00  5.739293E+01
    7.9250  2.625898E+00  5.840613E+01
    7.9750  2.647551E+00  5.944061E+01
    8.0250  2.716881E+00  6.051554E+01
    8.0750  2.615327E+00  6.156322E+01
    8.1250  2.707798E+00  6.266142E+01
    8.1750  2.638486E+00  6.374471E+01
    8.2250  2.699716E+00  6.486675E+01
    8.2750  2.726896E+00  6.601391E+01
    8.3250  2.702237E+00  6.716447E+01
    8.3750  2.669739E+00  6.831489E+01
    8.4250  2.731864E+00  6.950617E+01
    8.4750  2.624152E+00  7.066411E+01
    8.5250  2.676731E+00  7.185923E+01
    8.5750  2.656601E+00  7.305932E+01
    8.6250  2.663149E+00  7.427643E+01
    8.6750  2.604301E+00  7.548049E+01
    8.7250  2.626423E+00  7.670881E+01
    8.7750  2.638274E+00  7.795686E+01
    8.8250  2.614395E+00  7.920775E+01
    8.8750  2.617278E+00  8.047424E+01
    8.9250  2.588905E+00  8.174117E+01
    8.9750  2.598852E+00  8.302725E+01
    9.0250  2.633091E+00  8.434483E+01
    9.0750  2.594340E+00  8.565744E+01
    9.1250  2.625074E+00  8.700028E+01
    9.1750  2.676114E+00  8.838428E+01
    9.2250  2.660754E+00  8.977537E+01
    9.2750  2.633218E+00  9.116702E+01
    9.3250  2.605056E+00  9.255868E+01
    9.3750  2.584964E+00  9.395445E+01
    9.4250  2.631197E+00  9.539038E+01
    9.4750  2.595010E+00  9.682163E+01
    9.5250  2.649817E+00  9.829857E+01
    9.5750  2.559229E+00  9.974003E+01
    9.6250  2.581578E+00  1.012093E+02
    9.6750  2.569029E+00  1.026867E+02
    9.7250  2.603982E+00  1.041997E+02
    9.7750  2.585389E+00  1.057173E+02
    9.8250  2.535452E+00  1.072209E+02
    9.8750  2.577112E+00  1.087649E+02
    9.9250  2.595530E+00  1.103356E+02
    9.9750  2.581414E+00  1.119136E+02
   10.0250  2.634101E+00  1.135399E+02
   10.0750  2.588451E+00  1.151541E+02
   10.1250  2.552134E+00  1.167615E+02
   10.1750  2.586459E+00  1.184066E+02
   10.2250  2.562110E+00  1.200522E+02
   10.2750  2.578147E+00  1.217244E+02
   10.3250  2.564505E+00  1.234040E+02
   10.3750  2.524182E+00  1.250732E+02
   10.4250  2.551460E+00  1.267768E+02
   10.4750  2.543580E+00  1.284914E+02
   10.5250  2.509253E+00  1.301991E+02
   10.5750  2.525032E+00  1.319339E+02
   10.6250  2.515441E+00  1.336784E+02
   10.6750  2.500445E+00  1.354290E+02
   10.7250  2.511323E+00  1.372036E+02
   10.7750  2.516918E+00  1.389989E+02
   10.8250  2.507519E+00  1.408040E+02
   10.8750  2.500920E+00  1.426211E+02
   10.9250  2.503239E+00  1.444566E+02
   10.9750  2.463799E+00  1.462798E+02
   11.0250  2.462215E+00  1.481185E+02
   11.0750  2.469788E+00  1.499796E+02
   11.1250  2.477311E+00  1.518632E+02
   11.1750  2.516045E+00  1.537935E+02
   11.2250  2.507429E+00  1.557345E+02
   11.2750  2.495233E+00  1.576833E+02
   11.3250  2.522955E+00  1.596712E+02
   11.3750  2.503145E+00  1.616610E+02
   11.4250  2.475444E+00  1.636461E+02
   11.4750  2.529524E+00  1.656924E+02
   11.5250  2.479625E+00  1.677158E+02
   11.5750  2.526692E+00  1.697955E+02
   11.6250  2.471504E+00  1.718475E+02
   11.6750  2.456480E+00  1.739045E+02
   11.7250  2.492028E+00  1.760092E+02
   11.7750  2.511391E+00  1.781484E+02
   11.8250  2.478965E+00  1.802780E+02
   11.8750  2.459772E+00  1.824090E+02
   11.9250  2.501723E+00  1.845946E+02
   11.9750  2.446083E+00  1.867495E+02
   12.0250  2.492235E+00  1.889635E+02
   12.0750  2.462450E+00  1.911693E+02
   12.1250  2.414217E+00  1.933498E+02
   12.1750  2.434787E+00  1.955670E+02
   12.2250  2.412284E+00  1.977819E+02
   12.2750  2.431916E+00  2.000331E+02
   12.3250  2.438835E+00  2.023091E+02
   12.3750  2.432289E+00  2.045974E+02
   12.4250  2.394050E+00  2.068680E+02
   12.4750  2.340019E+00  2.091053E+02
   12.5250  2.370846E+00  2.113902E+02
   12.5750  2.390300E+00  2.137124E+02
   12.6250  2.403576E+00  2.160660E+02
   12.6750  2.395721E+00  2.184305E+02
   12.7250  2.389484E+00  2.208076E+02
   12.7750  2.389782E+00  2.232036E+02
   12.8250  2.405028E+00  2.256339E+02
   12.8750  2.369246E+00  2.280467E+02
   12.9250  2.374732E+00  2.304839E+02
   12.9750  2.393098E+00  2.329590E+02
   13.0250  2.410977E+00  2.354718E+02
   13.0750  2.391762E+00  2.379838E+02
   13.1250  2.380278E+00  2.405029E+02
   13.1750  2.441422E+00  2.431064E+02
   13.2250  2.443334E+00  2.457318E+02
   13.2750  2.388787E+00  2.483180E+02
   13.3250  2.362048E+00  2.508946E+02
   13.3750  2.385610E+00  2.535164E+02
   13.4250  2.381714E+00  2.561535E+02
   13.4750  2.351351E+00  2.587765E+02
   13.5250  2.351297E+00  2.614189E+02
   13.5750  2.366221E+00  2.640978E+02
   13.6250  2.340426E+00  2.667670E+02
   13.6750  2.350516E+00  2.694674E+02
   13.7250  2.345438E+00  2.721818E+02
   13.7750  2.365204E+00  2.749390E+02
   13.8250  2.353082E+00  2.777020E+02
   13.8750  2.355950E+00  2.804884E+02
   13.9250  2.346090E+00  2.832832E+02
   13.9750  2.308990E+00  2.860536E+02

g(r)  :K       HW      

        r      g(r)         n(r)

    2.1250  0.000000E+00  0.000000E+00
    2.1750  0.000000E+00  0.000000E+00
    2.2250  2.332766E-03  1.419044E-04
    2.2750  0.000000E+00  1.419044E-04
    2.3250  2.136421E-03  2.838087E-04
    2.3750  6.142251E-03  7.095218E-04
    2.4250  1.767475E-02  1.986661E-03
    2.4750  2.827975E-02  4.115226E-03
    2.5250  5.977596E-02  8.798070E-03
    2.5750  1.463055E-01  2.071804E-02
    2.6250  2.983306E-01  4.597701E-02
    2.6750  4.954818E-01  8.954165E-02
    2.7250  7.169771E-01  1.549596E-01
    2.7750  9.313296E-01  2.430822E-01
    2.8250  1.334235E+00  3.739180E-01
    2.8750  1.794023E+00  5.561232E-01
    2.9250  2.065279E+00  7.732368E-01
    2.9750  2.531437E+00  1.048531E+00
    3.0250  3.060558E+00  1.392649E+00
    3.0750  3.491917E+00  1.798354E+00
    3.1250  4.056340E+00  2.285086E+00
    3.1750  4.849549E+00  2.885767E+00
    3.2250  5.207799E+00  3.551298E+00
    3.2750  5.692825E+00  4.301547E+00
    3.3250  6.027454E+00  5.120335E+00
    3.3750  6.446360E+00  6.022563E+00
    3.4250  6.607055E+00  6.974883E+00
    3.4750  6.552189E+00  7.947070E+00
    3.5250  6.412246E+00  8.926068E+00
    3.5750  5.924195E+00  9.856393E+00
    3.6250  5.742563E+00  1.078360E+01
    3.6750  5.206839E+00  1.164765E+01
    3.7250  4.616881E+00  1.243479E+01
    3.7750  4.245782E+00  1.317823E+01
    3.8250  3.707670E+00  1.384476E+01
    3.8750  3.304954E+00  1.445452E+01
    3.9250  3.064610E+00  1.503462E+01
    3.9750  2.789189E+00  1.557613E+01
    4.0250  2.641195E+00  1.610189E+01
    4.0750  2.402907E+00  1.659217E+01
    4.1250  2.234375E+00  1.705932E+01
    4.1750  2.157989E+00  1.752150E+01
    4.2250  2.142799E+00  1.799149E+01
    4.2750  2.079698E+00  1.845849E+01
    4.3250  2.030656E+00  1.892522E+01
    4.3750  2.012865E+00  1.939861E+01
    4.4250  2.069083E+00  1.989641E+01
    4.4750  2.123453E+00  2.041890E+01
    4.5250  2.101040E+00  2.094750E+01
    4.5750  2.181723E+00  2.150859E+01
    4.6250  2.206075E+00  2.208841E+01
    4.6750  2.231533E+00  2.268767E+01
    4.7250  2.312328E+00  2.332198E+01
    4.7750  2.416113E+00  2.399886E+01
    4.8250  2.481388E+00  2.470867E+01
    4.8750  2.464766E+00  2.542841E+01
    4.9250  2.486396E+00  2.616943E+01
    4.9750  2.581787E+00  2.695459E+01
    5.0250  2.709498E+00  2.779523E+01
    5.0750  2.682829E+00  2.864425E+01
    5.1250  2.782434E+00  2.954222E+01
    5.1750  2.869945E+00  3.048659E+01
    5.2250  2.888042E+00  3.145537E+01
    5.2750  2.989197E+00  3.247737E+01
    5.3250  3.070176E+00  3.354704E+01
    5.3750  3.108063E+00  3.465035E+01
    5.4250  3.210357E+00  3.581127E+01
    5.4750  3.155842E+00  3.697361E+01
    5.5250  3.245777E+00  3.819100E+01
    5.5750  3.233523E+00  3.942585E+01
    5.6250  3.235790E+00  4.068384E+01
    5.6750  3.278357E+00  4.198113E+01
    5.7250  3.326701E+00  4.332085E+01
    5.7750  3.308131E+00  4.467646E+01
    5.8250  3.239329E+00  4.602696E+01
    5.8750  3.288489E+00  4.742160E+01
    5.9250  3.192757E+00  4.879878E+01
    5.9750  3.138251E+00  5.017539E+01
    6.0250  3.166554E+00  5.158777E+01
    6.0750  3.089923E+00  5.298893E+01
    6.1250  3.050456E+00  5.439506E+01
    6.1750  2.975511E+00  5.578913E+01
    6.2250  2.958900E+00  5.719796E+01
    6.2750  2.925720E+00  5.861345E+01
    6.3250  2.869542E+00  6.002398E+01
    6.3750  2.836358E+00  6.144033E+01
    6.4250  2.729716E+00  6.282489E+01
    6.4750  2.696811E+00  6.421413E+01
    6.5250  2.700668E+00  6.562693E+01
    6.5750  2.695281E+00  6.705861E+01
    6.6250  2.658435E+00  6.849227E+01
    6.6750  2.676820E+00  6.995771E+01
    6.7250  2.673426E+00  7.144331E+01
    6.7750  2.666066E+00  7.294693E+01
    6.8250  2.650700E+00  7.446403E+01
    6.8750  2.654557E+00  7.600568E+01
    6.9250  2.692946E+00  7.759245E+01
    6.9750  2.714535E+00  7.921513E+01
    7.0250  2.658714E+00  8.082730E+01
    7.0750  2.698561E+00  8.248702E+01
    7.1250  2.705864E+00  8.417483E+01
    7.1750  2.734014E+00  8.590421E+01
    7.2250  2.739447E+00  8.766127E+01
    7.2750  2.712832E+00  8.942543E+01
    7.3250  2.697663E+00  9.120392E+01
    7.3750  2.723635E+00  9.302412E+01
    7.4250  2.679326E+00  9.483908E+01
    7.4750  2.697962E+00  9.669136E+01
    7.5250  2.764206E+00  9.861459E+01
    7.5750  2.777348E+00  1.005727E+02
    7.6250  2.733892E+00  1.025258E+02
    7.6750  2.749364E+00  1.045157E+02
    7.7250  2.788204E+00  1.065601E+02
    7.7750  2.760483E+00  1.086105E+02
    7.8250  2.779828E+00  1.107019E+02
    7.8750  2.741661E+00  1.127910E+02
    7.9250  2.783488E+00  1.149390E+02
    7.9750  2.780473E+00  1.171118E+02
    8.0250  2.733380E+00  1.192747E+02
    8.0750  2.806614E+00  1.215233E+02
    8.1250  2.748385E+00  1.237527E+02
    8.1750  2.754616E+00  1.260146E+02
    8.2250  2.771417E+00  1.283183E+02
    8.2750  2.769398E+00  1.306484E+02
    8.3250  2.689573E+00  1.329387E+02
    8.3750  2.688016E+00  1.352553E+02
    8.4250  2.750250E+00  1.376539E+02
    8.4750  2.712910E+00  1.400481E+02
    8.5250  2.736324E+00  1.424916E+02
    8.5750  2.692883E+00  1.449245E+02
    8.6250  2.676656E+00  1.473711E+02
    8.6750  2.692544E+00  1.498608E+02
    8.7250  2.675881E+00  1.523637E+02
    8.7750  2.690020E+00  1.549088E+02
    8.8250  2.644647E+00  1.574395E+02
    8.8750  2.666251E+00  1.600199E+02
    8.9250  2.664589E+00  1.626278E+02
    8.9750  2.668676E+00  1.652691E+02
    9.0250  2.639472E+00  1.679106E+02
    9.0750  2.643422E+00  1.705855E+02
    9.1250  2.606765E+00  1.732524E+02
    9.1750  2.617257E+00  1.759596E+02
    9.2250  2.625062E+00  1.787044E+02
    9.2750  2.653624E+00  1.815093E+02
    9.3250  2.651276E+00  1.843420E+02
    9.3750  2.648694E+00  1.872024E+02
    9.4250  2.653949E+00  1.900990E+02
    9.4750  2.597969E+00  1.929648E+02
    9.5250  2.614301E+00  1.958791E+02
    9.5750  2.572834E+00  1.987774E+02
    9.6250  2.597785E+00  2.017344E+02
    9.6750  2.628869E+00  2.047579E+02
    9.7250  2.588962E+00  2.077664E+02
    9.7750  2.597234E+00  2.108157E+02
    9.8250  2.581395E+00  2.138774E+02
    9.8750  2.597956E+00  2.169902E+02
    9.9250  2.595295E+00  2.201314E+02
    9.9750  2.612869E+00  2.233258E+02
   10.0250  2.610888E+00  2.265499E+02
   10.0750  2.576391E+00  2.297632E+02
   10.1250  2.617137E+00  2.330597E+02
   10.1750  2.602858E+00  2.363708E+02
   10.2250  2.581330E+00  2.396868E+02
   10.2750  2.602432E+00  2.430627E+02
   10.3250  2.522254E+00  2.463665E+02
   10.3750  2.562056E+00  2.497551E+02
   10.4250  2.542321E+00  2.531500E+02
   10.4750  2.580209E+00  2.566286E+02
   10.5250  2.540009E+00  2.600859E+02
   10.5750  2.560558E+00  2.636042E+02
   10.6250  2.539584E+00  2.671269E+02
   10.6750  2.534903E+00  2.706762E+02
   10.7250  2.545260E+00  2.742734E+02
   10.7750  2.535918E+00  2.778910E+02
   10.8250  2.537875E+00  2.815451E+02
   10.8750  2.532560E+00  2.852252E+02
   10.9250  2.539718E+00  2.889498E+02
   10.9750  2.528903E+00  2.926925E+02
   11.0250  2.515234E+00  2.964490E+02
   11.0750  2.508299E+00  3.002292E+02
   11.1250  2.513144E+00  3.040509E+02
   11.1750  2.538703E+00  3.079464E+02
   11.2250  2.514579E+00  3.118394E+02
   11.2750  2.467706E+00  3.156939E+02
   11.3250  2.504405E+00  3.196406E+02
   11.3750  2.490827E+00  3.236005E+02
   11.4250  2.494821E+00  3.276018E+02
   11.4750  2.501983E+00  3.316498E+02
   11.5250  2.466757E+00  3.356756E+02
   11.5750  2.472472E+00  3.397458E+02
   11.6250  2.468342E+00  3.438445E+02
   11.6750  2.477070E+00  3.479930E+02
   11.7250  2.455652E+00  3.521411E+02
   11.7750  2.477156E+00  3.563611E+02
   11.8250  2.459804E+00  3.605873E+02
   11.8750  2.471156E+00  3.648690E+02
   11.9250  2.439675E+00  3.691318E+02
   11.9750  2.445198E+00  3.734402E+02
   12.0250  2.489120E+00  3.778626E+02
   12.0750  2.440984E+00  3.822357E+02
   12.1250  2.471721E+00  3.867006E+02
   12.1750  2.457538E+00  3.911765E+02
   12.2250  2.486779E+00  3.957430E+02
   12.2750  2.436669E+00  4.002542E+02
   12.3250  2.430928E+00  4.047914E+02
   12.3750  2.428292E+00  4.093606E+02
   12.4250  2.473498E+00  4.140525E+02
   12.4750  2.428033E+00  4.186953E+02
   12.5250  2.406772E+00  4.233345E+02
   12.5750  2.443397E+00  4.280819E+02
   12.6250  2.419444E+00  4.328202E+02
   12.6750  2.394139E+00  4.375462E+02
   12.7250  2.414091E+00  4.423492E+02
   12.7750  2.397991E+00  4.471578E+02
   12.8250  2.396251E+00  4.520006E+02
   12.8750  2.406729E+00  4.569025E+02
   12.9250  2.398514E+00  4.618257E+02
   12.9750  2.388982E+00  4.667674E+02
   13.0250  2.388648E+00  4.717466E+02
   13.0750  2.376900E+00  4.767393E+02
   13.1250  2.385708E+00  4.817890E+02
   13.1750  2.410217E+00  4.869295E+02
   13.2250  2.393612E+00  4.920734E+02
   13.2750  2.376139E+00  4.972184E+02
   13.3250  2.376293E+00  5.024026E+02
   13.3750  2.367920E+00  5.076074E+02
   13.4250  2.364156E+00  5.128428E+02
   13.4750  2.351542E+00  5.180891E+02
   13.5250  2.381286E+00  5.234413E+02
   13.5750  2.363464E+00  5.287928E+02
   13.6250  2.377193E+00  5.342151E+02
   13.6750  2.349528E+00  5.396137E+02
   13.7250  2.359048E+00  5.450739E+02
   13.7750  2.333920E+00  5.505154E+02
   13.8250  2.343414E+00  5.560187E+02
   13.8750  2.327995E+00  5.615255E+02
   13.9250  2.312498E+00  5.670351E+02
   13.9750  2.301184E+00  5.725571E+02

g(r)  :cl      cl      

        r      g(r)         n(r)

    4.6750  0.000000E+00  0.000000E+00
    4.7250  0.000000E+00  0.000000E+00
    4.7750  4.718539E-01  5.676174E-04
    4.8250  9.242507E-01  1.702852E-03
    4.8750  9.053891E-01  2.838087E-03
    4.9250  1.330649E+00  4.540939E-03
    4.9750  1.738715E+00  6.811409E-03
    5.0250  2.130358E+00  9.649496E-03
    5.0750  3.132881E+00  1.390663E-02
    5.1250  3.481658E+00  1.873138E-02
    5.1750  4.820760E+00  2.554278E-02
    5.2250  5.320056E+00  3.320562E-02
    5.2750  3.479787E+00  3.831418E-02
    5.3250  2.655914E+00  4.228750E-02
    5.3750  4.654877E+00  4.938272E-02
    5.4250  3.472797E+00  5.477508E-02
    5.4750  2.512379E+00  5.874840E-02
    5.5250  2.290889E+00  6.243792E-02
    5.5750  2.249982E+00  6.612743E-02
    5.6250  3.230234E+00  7.151980E-02
    5.6750  3.006535E+00  7.662835E-02
    5.7250  2.625999E+00  8.116929E-02
    5.7750  2.742020E+00  8.599404E-02
    5.8250  1.268305E+00  8.826451E-02
    5.8750  7.792556E-01  8.968355E-02
    5.9250  2.451709E+00  9.422449E-02
    5.9750  1.205424E+00  9.649496E-02
    6.0250  8.891253E-01  9.819781E-02
    6.0750  1.311825E+00  1.007521E-01
    6.1250  1.720660E+00  1.041578E-01
    6.1750  5.643025E-01  1.052930E-01
    6.2250  6.940924E-01  1.067121E-01
    6.2750  1.502766E+00  1.098340E-01
    6.3250  1.210173E+00  1.123883E-01
    6.3750  1.191265E+00  1.149425E-01
    6.4250  2.606213E-01  1.155101E-01
    6.4750  8.981413E-01  1.174968E-01
    6.5250  6.317353E-01  1.189159E-01
    6.5750  4.977310E-01  1.200511E-01
    6.6250  4.902465E-01  1.211863E-01
    6.6750  1.207324E-01  1.214701E-01
    6.7250  1.070494E+00  1.240244E-01
    6.7750  1.289141E+00  1.271463E-01
    6.8250  2.078708E+00  1.322549E-01
    6.8750  1.820962E+00  1.367958E-01
    6.9250  2.019107E+00  1.419044E-01
    6.9750  8.845615E-01  1.441748E-01
    7.0250  1.526026E+00  1.481481E-01
    7.0750  2.256799E+00  1.541081E-01
    7.1250  1.801382E+00  1.589329E-01
    7.1750  1.567379E+00  1.631900E-01
    7.2250  1.751862E+00  1.680148E-01
    7.2750  1.931142E+00  1.734071E-01
    7.3250  1.604100E+00  1.779481E-01
    7.3750  3.956057E+00  1.893004E-01
    7.4250  3.902957E+00  2.006528E-01
    7.4750  1.925459E+00  2.063289E-01
    7.5250  1.804959E+00  2.117213E-01
    7.5750  2.343697E+00  2.188165E-01
    7.6250  2.035494E+00  2.250603E-01
    7.6750  2.100380E+00  2.315879E-01
    7.7250  1.802851E+00  2.372641E-01
    7.7750  2.135685E+00  2.440755E-01
    7.8250  1.493506E+00  2.489002E-01
    7.8750  2.342014E+00  2.565631E-01
    7.9250  3.254707E+00  2.673478E-01
    7.9750  2.791126E+00  2.767135E-01
    8.0250  3.090570E+00  2.872144E-01
    8.0750  2.887420E+00  2.971477E-01
    8.1250  2.851992E+00  3.070810E-01
    8.1750  2.253769E+00  3.150277E-01
    8.2250  4.134838E+00  3.297857E-01
    8.2750  3.770789E+00  3.434085E-01
    8.3250  4.812272E+00  3.610047E-01
    8.3750  4.601598E+00  3.780332E-01
    8.4250  2.955642E+00  3.891017E-01
    8.4750  2.771082E+00  3.996027E-01
    8.5250  3.034745E+00  4.112388E-01
    8.5750  3.145772E+00  4.234426E-01
    8.6250  3.181717E+00  4.359302E-01
    8.6750  3.788471E+00  4.509720E-01
    8.7250  4.169157E+00  4.677168E-01
    8.7750  4.401224E+00  4.855967E-01
    8.8250  3.039138E+00  4.980843E-01
    8.8750  2.663514E+00  5.091528E-01
    8.9250  2.768819E+00  5.207890E-01
    8.9750  2.871618E+00  5.329928E-01
    9.0250  3.104064E+00  5.463318E-01
    9.0750  2.220817E+00  5.559813E-01
    9.1250  2.390359E+00  5.664822E-01
    9.1750  1.853161E+00  5.747126E-01
    9.2250  2.465239E+00  5.857812E-01
    9.2750  2.938984E+00  5.991202E-01
    9.3250  2.103335E+00  6.087697E-01
    9.3750  2.203369E+00  6.189868E-01
    9.4250  2.119496E+00  6.289201E-01
    9.4750  1.797588E+00  6.374344E-01
    9.5250  1.600889E+00  6.450972E-01
    9.5750  1.525538E+00  6.524762E-01
    9.6250  1.683929E+00  6.607067E-01
    9.6750  1.724037E+00  6.692209E-01
    9.7250  1.194448E+00  6.751809E-01
    9.7750  1.520049E+00  6.828438E-01
    9.8250  1.393164E+00  6.899390E-01
    9.8750  5.516367E-01  6.927771E-01
    9.9250  9.829668E-01  6.978856E-01
    9.9750  4.865686E-01  7.004399E-01
   10.0250  1.284606E+00  7.072513E-01
   10.0750  1.271887E+00  7.140627E-01
   10.1250  1.679142E+00  7.231446E-01
   10.1750  1.662680E+00  7.322265E-01
   10.2250  1.286296E+00  7.393217E-01
   10.2750  1.069998E+00  7.452817E-01
   10.3250  1.816560E+00  7.554988E-01
   10.3750  1.799094E+00  7.657159E-01
   10.4250  2.078857E+00  7.776359E-01
   10.4750  3.382739E+00  7.972187E-01
   10.5250  2.233784E+00  8.102739E-01
   10.5750  1.731686E+00  8.204910E-01
   10.6250  1.191268E+00  8.275862E-01
   10.6750  1.132930E+00  8.343976E-01
   10.7250  1.309456E+00  8.423443E-01
   10.7750  2.177664E+00  8.556833E-01
   10.8250  2.295312E+00  8.698737E-01
   10.8750  2.319739E+00  8.843479E-01
   10.9250  2.974600E+00  9.030793E-01
   10.9750  2.724259E+00  9.203917E-01
   11.0250  2.876628E+00  9.388392E-01
   11.0750  3.245427E+00  9.598411E-01
   11.1250  3.346711E+00  9.816943E-01
   11.1750  3.101452E+00  1.002129E+00
   11.2250  2.646955E+00  1.019725E+00
   11.2750  2.750476E+00  1.038172E+00
   11.3250  2.810127E+00  1.057187E+00
   11.3750  2.702329E+00  1.075635E+00
   11.4250  3.049628E+00  1.096637E+00
   11.4750  2.410317E+00  1.113382E+00
   11.5250  2.672943E+00  1.132113E+00
   11.5750  2.087800E+00  1.146871E+00
   11.6250  2.229101E+00  1.162764E+00
   11.6750  2.604701E+00  1.181496E+00
   11.7250  2.308628E+00  1.198240E+00
   11.7750  2.289063E+00  1.214985E+00
   11.8250  2.731390E+00  1.235136E+00
   11.8750  2.326967E+00  1.252448E+00
   11.9250  3.253189E+00  1.276855E+00
   11.9750  3.226080E+00  1.301263E+00
   12.0250  3.385314E+00  1.327090E+00
   12.0750  3.025292E+00  1.350362E+00
   12.1250  3.512654E+00  1.377607E+00
   12.1750  3.338701E+00  1.403718E+00
   12.2250  3.671387E+00  1.432666E+00
   12.2750  3.320226E+00  1.459061E+00
   12.3250  3.293342E+00  1.485455E+00
   12.3750  3.196529E+00  1.511281E+00
   12.4250  3.658678E+00  1.541081E+00
   12.4750  3.249185E+00  1.567759E+00
   12.5250  3.291876E+00  1.595005E+00
   12.5750  3.095659E+00  1.620832E+00
   12.6250  3.003689E+00  1.646091E+00
   12.6750  3.281390E+00  1.673904E+00
   12.7250  3.986515E+00  1.707961E+00
   12.7750  4.087216E+00  1.743153E+00
   12.8250  3.924590E+00  1.777210E+00
   12.8750  4.316035E+00  1.814957E+00
   12.9250  3.477686E+00  1.845608E+00
   12.9750  3.387029E+00  1.875692E+00
   13.0250  3.202534E+00  1.904356E+00
   13.0750  3.178087E+00  1.933021E+00
   13.1250  2.872877E+00  1.959132E+00
   13.1750  3.037055E+00  1.986945E+00
   13.2250  2.829595E+00  2.013055E+00
   13.2750  1.892563E+00  2.030651E+00
   13.3250  2.272242E+00  2.051937E+00
   13.3750  2.165074E+00  2.072371E+00
   13.4250  2.745915E+00  2.098482E+00
   13.4750  2.636697E+00  2.123741E+00
   13.5250  3.411232E+00  2.156662E+00
   13.5750  2.627185E+00  2.182205E+00
   13.6250  2.578961E+00  2.207464E+00
   13.6750  2.272481E+00  2.229885E+00
   13.7250  2.684300E+00  2.256563E+00
   13.7750  2.919993E+00  2.285795E+00
   13.8250  3.039634E+00  2.316447E+00
   13.8750  3.213362E+00  2.349085E+00
   13.9250  3.440005E+00  2.384277E+00
   13.9750  2.947189E+00  2.414645E+00

g(r)  :cl      OW      

        r      g(r)         n(r)

    2.7750  0.000000E+00  0.000000E+00
    2.8250  0.000000E+00  0.000000E+00
    2.8750  2.794428E-03  1.419044E-04
    2.9250  4.319537E-02  2.412374E-03
    2.9750  3.001188E-01  1.873138E-02
    3.0250  1.176264E+00  8.485881E-02
    3.0750  3.175580E+00  2.693345E-01
    3.1250  5.700163E+00  6.113240E-01
    3.1750  8.837568E+00  1.158649E+00
    3.2250  1.034675E+01  1.819781E+00
    3.2750  1.146748E+01  2.575422E+00
    3.3250  1.090792E+01  3.316305E+00
    3.3750  1.006395E+01  4.020576E+00
    3.4250  8.582969E+00  4.639137E+00
    3.4750  6.949088E+00  5.154676E+00
    3.5250  5.716091E+00  5.591032E+00
    3.5750  4.548871E+00  5.948205E+00
    3.6250  3.796736E+00  6.254718E+00
    3.6750  3.292220E+00  6.527884E+00
    3.7250  2.631797E+00  6.752235E+00
    3.7750  2.463672E+00  6.967930E+00
    3.8250  2.282857E+00  7.173123E+00
    3.8750  2.058194E+00  7.362991E+00
    3.9250  1.953614E+00  7.547893E+00
    3.9750  1.944246E+00  7.736626E+00
    4.0250  1.967530E+00  7.932454E+00
    4.0750  1.856950E+00  8.121896E+00
    4.1250  1.985961E+00  8.329502E+00
    4.1750  2.126848E+00  8.557258E+00
    4.2250  2.212673E+00  8.799915E+00
    4.2750  2.274966E+00  9.055343E+00
    4.3250  2.430119E+00  9.334610E+00
    4.3750  2.541424E+00  9.633461E+00
    4.4250  2.826410E+00  9.973464E+00
    4.4750  2.812047E+00  1.031943E+01
    4.5250  2.975862E+00  1.069377E+01
    4.5750  3.132986E+00  1.109664E+01
    4.6250  3.174674E+00  1.151384E+01
    4.6750  3.276226E+00  1.195374E+01
    4.7250  3.295196E+00  1.240570E+01
    4.7750  3.444354E+00  1.288818E+01
    4.8250  3.538037E+00  1.339421E+01
    4.8750  3.559138E+00  1.391386E+01
    4.9250  3.538662E+00  1.444118E+01
    4.9750  3.646138E+00  1.499560E+01
    5.0250  3.656268E+00  1.556279E+01
    5.0750  3.578301E+00  1.612899E+01
    5.1250  3.639852E+00  1.671633E+01
    5.1750  3.605220E+00  1.730949E+01
    5.2250  3.552626E+00  1.790535E+01
    5.2750  3.571098E+00  1.851582E+01
    5.3250  3.586624E+00  1.914063E+01
    5.3750  3.524204E+00  1.976614E+01
    5.4250  3.426579E+00  2.038570E+01
    5.4750  3.382773E+00  2.100866E+01
    5.5250  3.436082E+00  2.165304E+01
    5.5750  3.316758E+00  2.228636E+01
    5.6250  3.363908E+00  2.294026E+01
    5.6750  3.391676E+00  2.361132E+01
    5.7250  3.263627E+00  2.426848E+01
    5.7750  3.307784E+00  2.494622E+01
    5.8250  3.200186E+00  2.561331E+01
    5.8750  3.266405E+00  2.630595E+01
    5.9250  3.265461E+00  2.701022E+01
    5.9750  3.115283E+00  2.769349E+01
    6.0250  3.040249E+00  2.837151E+01
    6.0750  3.090549E+00  2.907223E+01
    6.1250  3.037219E+00  2.977224E+01
    6.1750  2.971271E+00  3.046828E+01
    6.2250  2.889756E+00  3.115624E+01
    6.2750  2.914281E+00  3.186122E+01
    6.3250  2.859727E+00  3.256407E+01
    6.3750  2.803109E+00  3.326394E+01
    6.4250  2.775878E+00  3.396793E+01
    6.4750  2.858785E+00  3.470427E+01
    6.5250  2.899231E+00  3.546261E+01
    6.5750  2.843550E+00  3.621782E+01
    6.6250  2.895518E+00  3.699858E+01
    6.6750  2.852302E+00  3.777934E+01
    6.7250  2.900446E+00  3.858521E+01
    6.7750  2.997689E+00  3.943054E+01
    6.8250  3.058558E+00  4.030580E+01
    6.8750  3.053815E+00  4.119256E+01
    6.9250  3.107171E+00  4.210799E+01
    6.9750  3.111211E+00  4.303789E+01
    7.0250  3.112949E+00  4.398169E+01
    7.0750  3.099561E+00  4.493487E+01
    7.1250  3.191800E+00  4.593032E+01
    7.1750  3.072093E+00  4.690194E+01
    7.2250  3.148749E+00  4.791174E+01
    7.2750  3.127874E+00  4.892876E+01
    7.3250  3.151614E+00  4.996765E+01
    7.3750  3.208823E+00  5.103988E+01
    7.4250  3.194661E+00  5.212190E+01
    7.4750  3.193405E+00  5.321811E+01
    7.5250  3.167833E+00  5.432014E+01
    7.5750  3.151915E+00  5.543125E+01
    7.6250  3.200499E+00  5.657443E+01
    7.6750  3.149916E+00  5.771435E+01
    7.7250  3.075211E+00  5.884178E+01
    7.7750  3.090808E+00  5.998964E+01
    7.8250  3.119337E+00  6.116305E+01
    7.8750  3.079480E+00  6.233631E+01
    7.9250  3.104002E+00  6.353399E+01
    7.9750  3.072103E+00  6.473436E+01
    8.0250  2.982293E+00  6.591429E+01
    8.0750  2.940516E+00  6.709224E+01
    8.1250  2.994708E+00  6.830680E+01
    8.1750  2.938487E+00  6.951327E+01
    8.2250  2.930184E+00  7.073109E+01
    8.2750  2.932998E+00  7.196495E+01
    8.3250  2.922536E+00  7.320931E+01
    8.3750  2.958217E+00  7.448404E+01
    8.4250  2.958354E+00  7.577409E+01
    8.4750  2.867915E+00  7.703959E+01
    8.5250  2.944659E+00  7.835434E+01
    8.5750  2.953140E+00  7.968838E+01
    8.6250  2.953155E+00  8.103803E+01
    8.6750  2.867647E+00  8.236384E+01
    8.7250  2.958367E+00  8.374741E+01
    8.7750  2.940049E+00  8.513821E+01
    8.8250  2.904752E+00  8.652803E+01
    8.8750  2.844549E+00  8.790450E+01
    8.9250  2.942966E+00  8.934469E+01
    8.9750  2.846320E+00  9.075323E+01
    9.0250  2.880378E+00  9.219455E+01
    9.0750  2.860505E+00  9.364183E+01
    9.1250  2.854210E+00  9.510189E+01
    9.1750  2.895625E+00  9.659940E+01
    9.2250  2.934348E+00  9.813353E+01
    9.2750  2.906555E+00  9.966965E+01
    9.3250  2.916642E+00  1.012278E+02
    9.3750  2.903485E+00  1.027955E+02
    9.4250  2.880302E+00  1.043674E+02
    9.4750  2.852813E+00  1.059408E+02
    9.5250  2.872332E+00  1.075418E+02
    9.5750  2.885494E+00  1.091670E+02
    9.6250  2.916430E+00  1.108269E+02
    9.6750  2.945093E+00  1.125205E+02
    9.7250  2.960558E+00  1.142407E+02
    9.7750  2.934942E+00  1.159635E+02
    9.8250  2.886482E+00  1.176753E+02
    9.8750  2.912989E+00  1.194205E+02
    9.9250  2.913259E+00  1.211835E+02
    9.9750  2.897823E+00  1.229549E+02
   10.0250  2.846235E+00  1.247122E+02
   10.0750  2.900203E+00  1.265208E+02
   10.1250  2.859463E+00  1.283217E+02
   10.1750  2.895014E+00  1.301630E+02
   10.2250  2.847991E+00  1.319923E+02
   10.2750  2.865411E+00  1.338509E+02
   10.3250  2.878893E+00  1.357363E+02
   10.3750  2.875031E+00  1.376376E+02
   10.4250  2.874510E+00  1.395568E+02
   10.4750  2.807348E+00  1.414493E+02
   10.5250  2.817645E+00  1.433668E+02
   10.5750  2.804696E+00  1.452937E+02
   10.6250  2.770586E+00  1.472153E+02
   10.6750  2.790704E+00  1.491690E+02
   10.7250  2.797276E+00  1.511457E+02
   10.7750  2.806191E+00  1.531473E+02
   10.8250  2.770275E+00  1.551416E+02
   10.8750  2.753649E+00  1.571423E+02
   10.9250  2.741468E+00  1.591525E+02
   10.9750  2.750488E+00  1.611879E+02
   11.0250  2.773674E+00  1.632591E+02
   11.0750  2.774674E+00  1.653499E+02
   11.1250  2.779650E+00  1.674635E+02
   11.1750  2.799038E+00  1.696109E+02
   11.2250  2.737127E+00  1.717297E+02
   11.2750  2.773773E+00  1.738960E+02
   11.3250  2.730605E+00  1.760475E+02
   11.3750  2.748068E+00  1.782320E+02
   11.4250  2.773793E+00  1.804564E+02
   11.4750  2.690557E+00  1.826329E+02
   11.5250  2.732301E+00  1.848625E+02
   11.5750  2.742882E+00  1.871202E+02
   11.6250  2.751983E+00  1.894050E+02
   11.6750  2.711177E+00  1.916753E+02
   11.7250  2.696001E+00  1.939523E+02
   11.7750  2.738291E+00  1.962848E+02
   11.8250  2.719643E+00  1.986211E+02
   11.8750  2.729713E+00  2.009860E+02
   11.9250  2.707195E+00  2.033511E+02
   11.9750  2.669655E+00  2.057030E+02
   12.0250  2.661398E+00  2.080673E+02
   12.0750  2.701978E+00  2.104876E+02
   12.1250  2.665914E+00  2.128954E+02
   12.1750  2.603236E+00  2.152661E+02
   12.2250  2.663435E+00  2.177115E+02
   12.2750  2.711072E+00  2.202211E+02
   12.3250  2.668136E+00  2.227111E+02
   12.3750  2.680405E+00  2.252329E+02
   12.4250  2.653789E+00  2.277498E+02
   12.4750  2.636417E+00  2.302705E+02
   12.5250  2.629103E+00  2.328043E+02
   12.5750  2.624305E+00  2.353538E+02
   12.6250  2.588634E+00  2.378886E+02
   12.6750  2.534176E+00  2.403898E+02
   12.7250  2.554812E+00  2.429313E+02
   12.7750  2.571793E+00  2.455099E+02
   12.8250  2.551920E+00  2.480885E+02
   12.8750  2.573104E+00  2.507090E+02
   12.9250  2.583930E+00  2.533609E+02
   12.9750  2.570502E+00  2.560194E+02
   13.0250  2.557476E+00  2.586850E+02
   13.0750  2.581730E+00  2.613965E+02
   13.1250  2.554589E+00  2.641000E+02
   13.1750  2.516872E+00  2.667840E+02
   13.2250  2.523762E+00  2.694958E+02
   13.2750  2.513830E+00  2.722174E+02
   13.3250  2.540662E+00  2.749888E+02
   13.3750  2.524671E+00  2.777634E+02
   13.4250  2.529866E+00  2.805646E+02
   13.4750  2.563792E+00  2.834246E+02
   13.5250  2.508126E+00  2.862432E+02
   13.5750  2.520268E+00  2.890965E+02
   13.6250  2.538136E+00  2.919912E+02
   13.6750  2.576674E+00  2.949515E+02
   13.7250  2.544569E+00  2.978963E+02
   13.7750  2.524061E+00  3.008387E+02
   13.8250  2.537017E+00  3.038177E+02
   13.8750  2.531363E+00  3.068116E+02
   13.9250  2.474502E+00  3.097593E+02
   13.9750  2.498222E+00  3.127568E+02

g(r)  :cl      HW      

        r      g(r)         n(r)

    1.8250  0.000000E+00  0.000000E+00
    1.8750  0.000000E+00  0.000000E+00
    1.9250  3.116475E-02  1.419044E-03
    1.9750  1.598770E-01  9.081879E-03
    2.0250  7.406844E-01  4.640272E-02
    2.0750  2.078711E+00  1.563786E-01
    2.1250  4.017795E+00  3.793103E-01
    2.1750  6.498602E+00  7.570597E-01
    2.2250  8.834186E+00  1.294452E+00
    2.2750  9.737647E+00  1.913722E+00
    2.3250  1.001554E+01  2.578970E+00
    2.3750  9.360790E+00  3.227756E+00
    2.4250  8.587963E+00  3.848304E+00
    2.4750  7.243388E+00  4.393501E+00
    2.5250  5.990275E+00  4.862778E+00
    2.5750  4.652167E+00  5.241805E+00
    2.6250  3.988915E+00  5.579537E+00
    2.6750  3.271471E+00  5.867178E+00
    2.7250  2.598848E+00  6.104300E+00
    2.7750  2.152106E+00  6.307932E+00
    2.8250  1.707589E+00  6.475380E+00
    2.8750  1.584441E+00  6.636299E+00
    2.9250  1.345806E+00  6.777778E+00
    2.9750  1.205695E+00  6.908897E+00
    3.0250  1.125781E+00  7.035476E+00
    3.0750  9.856512E-01  7.149993E+00
    3.1250  1.045424E+00  7.275436E+00
    3.1750  1.062020E+00  7.406982E+00
    3.2250  1.191465E+00  7.559245E+00
    3.2750  1.326567E+00  7.734071E+00
    3.3250  1.692283E+00  7.963956E+00
    3.3750  1.970003E+00  8.239676E+00
    3.4250  2.555791E+00  8.608060E+00
    3.4750  3.030782E+00  9.057755E+00
    3.5250  3.602532E+00  9.607776E+00
    3.5750  4.249769E+00  1.027515E+01
    3.6250  4.606179E+00  1.101887E+01
    3.6750  4.953723E+00  1.184093E+01
    3.7250  4.958132E+00  1.268625E+01
    3.7750  4.882771E+00  1.354122E+01
    3.8250  4.662807E+00  1.437945E+01
    3.8750  4.370969E+00  1.518589E+01
    3.9250  4.126129E+00  1.596694E+01
    3.9750  3.879721E+00  1.672016E+01
    4.0250  3.669158E+00  1.745055E+01
    4.0750  3.538637E+00  1.817256E+01
    4.1250  3.439798E+00  1.889173E+01
    4.1750  3.361877E+00  1.961175E+01
    4.2250  3.242018E+00  2.032283E+01
    4.2750  3.193167E+00  2.103988E+01
    4.3250  3.237072E+00  2.178388E+01
    4.3750  3.121872E+00  2.251809E+01
    4.4250  3.173223E+00  2.328154E+01
    4.4750  3.134429E+00  2.405279E+01
    4.5250  3.108411E+00  2.483482E+01
    4.5750  3.190922E+00  2.565546E+01
    4.6250  3.201130E+00  2.649681E+01
    4.6750  3.294193E+00  2.738144E+01
    4.7250  3.278643E+00  2.828083E+01
    4.7750  3.332412E+00  2.921442E+01
    4.8250  3.241878E+00  3.014176E+01
    4.8750  3.292348E+00  3.110316E+01
    4.9250  3.243456E+00  3.206982E+01
    4.9750  3.216851E+00  3.304811E+01
    5.0250  3.266583E+00  3.406159E+01
    5.0750  3.240201E+00  3.508699E+01
    5.1250  3.218178E+00  3.612559E+01
    5.1750  3.194673E+00  3.717681E+01
    5.2250  3.181204E+00  3.824393E+01
    5.2750  3.190496E+00  3.933475E+01
    5.3250  3.158559E+00  4.043522E+01
    5.3750  3.110062E+00  4.153924E+01
    5.4250  3.143647E+00  4.267603E+01
    5.4750  3.181270E+00  4.384774E+01
    5.5250  3.158002E+00  4.503221E+01
    5.5750  3.217173E+00  4.626082E+01
    5.6250  3.190529E+00  4.750121E+01
    5.6750  3.257916E+00  4.879041E+01
    5.7250  3.196678E+00  5.007776E+01
    5.7750  3.200780E+00  5.138939E+01
    5.8250  3.159342E+00  5.270654E+01
    5.8750  3.210860E+00  5.406826E+01
    5.9250  3.236840E+00  5.546445E+01
    5.9750  3.213626E+00  5.687413E+01
    6.0250  3.273771E+00  5.833433E+01
    6.0750  3.160646E+00  5.976756E+01
    6.1250  3.257945E+00  6.126933E+01
    6.1750  3.192375E+00  6.276501E+01
    6.2250  3.160074E+00  6.426962E+01
    6.2750  3.139832E+00  6.578870E+01
    6.3250  3.095006E+00  6.731006E+01
    6.3750  3.114850E+00  6.886547E+01
    6.4250  3.074952E+00  7.042515E+01
    6.4750  3.073098E+00  7.200823E+01
    6.5250  3.053578E+00  7.360565E+01
    6.5750  3.044981E+00  7.522307E+01
    6.6250  2.993667E+00  7.683752E+01
    6.6750  2.988126E+00  7.847339E+01
    6.7250  2.995442E+00  8.013793E+01
    6.7750  2.975547E+00  8.181609E+01
    6.8250  2.951944E+00  8.350561E+01
    6.8750  2.953145E+00  8.522066E+01
    6.9250  3.000484E+00  8.698865E+01
    6.9750  2.917264E+00  8.873251E+01
    7.0250  2.947262E+00  9.051965E+01
    7.0750  2.958819E+00  9.233944E+01
    7.1250  2.918347E+00  9.415978E+01
    7.1750  2.985498E+00  9.604825E+01
    7.2250  3.014675E+00  9.798184E+01
    7.2750  3.018112E+00  9.994452E+01
    7.3250  3.036888E+00  1.019466E+02
    7.3750  3.011775E+00  1.039594E+02
    7.4250  2.997954E+00  1.059902E+02
    7.4750  3.036319E+00  1.080748E+02
    7.5250  3.050967E+00  1.101975E+02
    7.5750  3.043228E+00  1.123431E+02
    7.6250  3.047546E+00  1.145202E+02
    7.6750  3.075413E+00  1.167461E+02
    7.7250  3.054697E+00  1.189860E+02
    7.7750  3.053745E+00  1.212542E+02
    7.8250  3.023898E+00  1.235292E+02
    7.8750  2.998843E+00  1.258142E+02
    7.9250  3.031183E+00  1.281534E+02
    7.9750  2.983488E+00  1.304849E+02
    8.0250  2.985521E+00  1.328473E+02
    8.0750  2.999142E+00  1.352502E+02
    8.1250  2.995758E+00  1.376801E+02
    8.1750  2.997416E+00  1.401415E+02
    8.2250  3.000178E+00  1.426353E+02
    8.2750  2.960996E+00  1.451266E+02
    8.3250  2.992191E+00  1.476746E+02
    8.3750  2.966120E+00  1.502309E+02
    8.4250  2.980645E+00  1.528304E+02
    8.4750  2.940755E+00  1.554257E+02
    8.5250  2.906837E+00  1.580214E+02
    8.5750  2.911675E+00  1.606521E+02
    8.6250  2.879567E+00  1.632841E+02
    8.6750  2.907548E+00  1.659726E+02
    8.7250  2.861120E+00  1.686488E+02
    8.7750  2.912601E+00  1.714044E+02
    8.8250  2.892889E+00  1.741727E+02
    8.8750  2.890296E+00  1.769699E+02
    8.9250  2.851043E+00  1.797603E+02
    8.9750  2.857217E+00  1.825882E+02
    9.0250  2.829049E+00  1.854195E+02
    9.0750  2.860225E+00  1.883138E+02
    9.1250  2.886111E+00  1.912665E+02
    9.1750  2.872164E+00  1.942373E+02
    9.2250  2.814786E+00  1.971805E+02
    9.2750  2.879302E+00  2.002239E+02
    9.3250  2.875735E+00  2.032964E+02
    9.3750  2.852501E+00  2.063769E+02
    9.4250  2.866520E+00  2.095056E+02
    9.4750  2.872882E+00  2.126746E+02
    9.5250  2.908612E+00  2.159170E+02
    9.5750  2.887762E+00  2.191700E+02
    9.6250  2.845371E+00  2.224088E+02
    9.6750  2.833681E+00  2.256679E+02
    9.7250  2.846259E+00  2.289755E+02
    9.7750  2.862300E+00  2.323359E+02
    9.8250  2.872962E+00  2.357434E+02
    9.8750  2.856852E+00  2.391665E+02
    9.9250  2.843382E+00  2.426079E+02
    9.9750  2.881805E+00  2.461311E+02
   10.0250  2.848879E+00  2.496491E+02
   10.0750  2.851620E+00  2.532056E+02
   10.1250  2.860927E+00  2.568093E+02
   10.1750  2.876385E+00  2.604683E+02
   10.2250  2.846555E+00  2.641250E+02
   10.2750  2.812027E+00  2.677728E+02
   10.3250  2.837076E+00  2.714890E+02
   10.3750  2.828143E+00  2.752295E+02
   10.4250  2.812025E+00  2.789845E+02
   10.4750  2.801769E+00  2.827619E+02
   10.5250  2.824109E+00  2.866058E+02
   10.5750  2.815230E+00  2.904741E+02
   10.6250  2.787466E+00  2.943406E+02
   10.6750  2.784624E+00  2.982395E+02
   10.7250  2.765247E+00  3.021477E+02
   10.7750  2.776448E+00  3.061084E+02
   10.8250  2.770275E+00  3.100971E+02
   10.8750  2.774449E+00  3.141287E+02
   10.9250  2.774754E+00  3.181980E+02
   10.9750  2.756241E+00  3.222771E+02
   11.0250  2.805219E+00  3.264667E+02
   11.0750  2.779665E+00  3.306559E+02
   11.1250  2.785529E+00  3.348919E+02
   11.1750  2.737723E+00  3.390927E+02
   11.2250  2.766367E+00  3.433755E+02
   11.2750  2.747791E+00  3.476675E+02
   11.3250  2.777340E+00  3.520443E+02
   11.3750  2.748068E+00  3.564132E+02
   11.4250  2.725572E+00  3.607846E+02
   11.4750  2.732043E+00  3.652048E+02
   11.5250  2.744647E+00  3.696841E+02
   11.5750  2.737796E+00  3.741911E+02
   11.6250  2.728824E+00  3.787223E+02
   11.6750  2.674490E+00  3.832015E+02
   11.7250  2.674578E+00  3.877193E+02
   11.7750  2.671487E+00  3.922705E+02
   11.8250  2.707998E+00  3.969231E+02
   11.8750  2.677215E+00  4.015618E+02
   11.9250  2.641006E+00  4.061764E+02
   11.9750  2.667803E+00  4.108770E+02
   12.0250  2.667628E+00  4.156166E+02
   12.0750  2.659839E+00  4.203817E+02
   12.1250  2.638262E+00  4.251474E+02
   12.1750  2.647412E+00  4.299692E+02
   12.2250  2.625878E+00  4.347911E+02
   12.2750  2.658644E+00  4.397132E+02
   12.3250  2.625028E+00  4.446127E+02
   12.3750  2.636513E+00  4.495737E+02
   12.4250  2.670621E+00  4.546396E+02
   12.4750  2.638273E+00  4.596844E+02
   12.5250  2.640220E+00  4.647735E+02
   12.5750  2.618828E+00  4.698618E+02
   12.6250  2.624645E+00  4.750020E+02
   12.6750  2.625761E+00  4.801852E+02
   12.7250  2.591687E+00  4.853416E+02
   12.7750  2.581771E+00  4.905187E+02
   12.8250  2.599034E+00  4.957713E+02
   12.8750  2.549346E+00  5.009637E+02
   12.9250  2.568997E+00  5.062368E+02
   12.9750  2.559937E+00  5.115321E+02
   13.0250  2.551418E+00  5.168506E+02
   13.0750  2.544439E+00  5.221953E+02
   13.1250  2.566522E+00  5.276276E+02
   13.1750  2.577818E+00  5.331256E+02
   13.2250  2.553674E+00  5.386135E+02
   13.2750  2.567045E+00  5.441718E+02
   13.3250  2.562322E+00  5.497619E+02
   13.3750  2.570186E+00  5.554112E+02
   13.4250  2.549154E+00  5.610563E+02
   13.4750  2.550689E+00  5.667470E+02
   13.5250  2.538873E+00  5.724534E+02
   13.5750  2.571407E+00  5.782757E+02
   13.6250  2.531853E+00  5.840508E+02
   13.6750  2.529429E+00  5.898628E+02
   13.7250  2.542485E+00  5.957476E+02
   13.7750  2.533434E+00  6.016542E+02
   13.8250  2.517620E+00  6.075666E+02
   13.8750  2.529923E+00  6.135510E+02
   13.9250  2.529775E+00  6.195783E+02
   13.9750  2.504845E+00  6.255890E+02

g(r)  :OW      OW      

        r      g(r)         n(r)

    2.3250  0.000000E+00  0.000000E+00
    2.3750  0.000000E+00  0.000000E+00
    2.4250  4.857182E-03  1.754848E-04
    2.4750  7.208099E-02  2.888187E-03
    2.5250  4.649955E-01  2.110204E-02
    2.5750  1.667117E+00  8.901465E-02
    2.6250  3.708451E+00  2.460077E-01
    2.6750  5.993498E+00  5.094932E-01
    2.7250  7.632474E+00  8.576916E-01
    2.7750  8.177598E+00  1.244575E+00
    2.8250  7.877124E+00  1.630792E+00
    2.8750  7.151533E+00  1.993956E+00
    2.9250  6.253658E+00  2.322665E+00
    2.9750  5.359736E+00  2.614102E+00
    3.0250  4.681375E+00  2.877280E+00
    3.0750  4.126930E+00  3.117022E+00
    3.1250  3.709367E+00  3.339570E+00
    3.1750  3.436434E+00  3.552394E+00
    3.2250  3.229130E+00  3.758728E+00
    3.2750  3.079909E+00  3.961676E+00
    3.3250  2.985753E+00  4.164473E+00
    3.3750  2.901705E+00  4.367533E+00
    3.4250  2.859302E+00  4.573599E+00
    3.4750  2.811879E+00  4.782206E+00
    3.5250  2.789157E+00  4.995125E+00
    3.5750  2.763057E+00  5.212078E+00
    3.6250  2.744150E+00  5.433616E+00
    3.6750  2.767981E+00  5.663284E+00
    3.7250  2.775172E+00  5.899857E+00
    3.7750  2.789559E+00  6.144083E+00
    3.8250  2.772233E+00  6.393264E+00
    3.8750  2.794551E+00  6.651061E+00
    3.9250  2.796478E+00  6.915736E+00
    3.9750  2.829839E+00  7.190435E+00
    4.0250  2.840731E+00  7.473173E+00
    4.0750  2.859749E+00  7.764919E+00
    4.1250  2.879999E+00  8.065985E+00
    4.1750  2.883785E+00  8.374799E+00
    4.2250  2.898854E+00  8.692707E+00
    4.2750  2.923874E+00  9.020992E+00
    4.3250  2.931761E+00  9.357909E+00
    4.3750  2.940288E+00  9.703662E+00
    4.4250  2.957267E+00  1.005941E+01
    4.4750  2.948429E+00  1.042215E+01
    4.5250  2.948170E+00  1.079301E+01
    4.5750  2.955046E+00  1.117299E+01
    4.6250  2.964276E+00  1.156254E+01
    4.6750  2.944556E+00  1.195791E+01
    4.7250  2.947374E+00  1.236217E+01
    4.7750  2.935648E+00  1.277339E+01
    4.8250  2.913242E+00  1.319006E+01
    4.8750  2.901783E+00  1.361373E+01
    4.9250  2.901603E+00  1.404612E+01
    4.9750  2.879109E+00  1.448391E+01
    5.0250  2.864661E+00  1.492830E+01
    5.0750  2.854780E+00  1.538001E+01
    5.1250  2.839889E+00  1.583827E+01
    5.1750  2.832059E+00  1.630422E+01
    5.2250  2.812194E+00  1.677589E+01
    5.2750  2.808580E+00  1.725601E+01
    5.3250  2.803416E+00  1.774438E+01
    5.3750  2.788276E+00  1.823927E+01
    5.4250  2.790983E+00  1.874391E+01
    5.4750  2.782220E+00  1.925627E+01
    5.5250  2.762984E+00  1.977443E+01
    5.5750  2.737617E+00  2.029716E+01
    5.6250  2.745751E+00  2.083090E+01
    5.6750  2.730841E+00  2.137121E+01
    5.7250  2.721514E+00  2.191921E+01
    5.7750  2.715989E+00  2.247570E+01
    5.8250  2.706698E+00  2.303992E+01
    5.8750  2.723902E+00  2.361752E+01
    5.9250  2.715472E+00  2.420317E+01
    5.9750  2.730979E+00  2.480215E+01
    6.0250  2.731457E+00  2.541130E+01
    6.0750  2.741686E+00  2.603293E+01
    6.1250  2.755353E+00  2.666798E+01
    6.1750  2.767793E+00  2.731636E+01
    6.2250  2.777146E+00  2.797750E+01
    6.2750  2.782354E+00  2.865057E+01
    6.3250  2.797106E+00  2.933803E+01
    6.3750  2.805345E+00  3.003846E+01
    6.4250  2.822878E+00  3.075437E+01
    6.4750  2.817537E+00  3.148008E+01
    6.5250  2.819360E+00  3.221753E+01
    6.5750  2.832540E+00  3.296982E+01
    6.6250  2.829718E+00  3.373283E+01
    6.6750  2.846144E+00  3.451191E+01
    6.7250  2.842866E+00  3.530178E+01
    6.7750  2.836497E+00  3.610165E+01
    6.8250  2.835331E+00  3.691304E+01
    6.8750  2.834395E+00  3.773608E+01
    6.9250  2.823626E+00  3.856797E+01
    6.9750  2.811358E+00  3.940825E+01
    7.0250  2.817102E+00  4.026236E+01
    7.0750  2.800512E+00  4.112357E+01
    7.1250  2.791127E+00  4.199406E+01
    7.1750  2.783935E+00  4.287455E+01
    7.2250  2.768336E+00  4.376234E+01
    7.2750  2.766770E+00  4.466196E+01
    7.3250  2.766814E+00  4.557399E+01
    7.3750  2.751052E+00  4.649326E+01
    7.4250  2.743442E+00  4.742245E+01
    7.4750  2.731735E+00  4.836018E+01
    7.5250  2.711514E+00  4.930347E+01
    7.5750  2.704930E+00  5.025701E+01
    7.6250  2.689108E+00  5.121753E+01
    7.6750  2.694965E+00  5.219280E+01
    7.7250  2.672544E+00  5.317261E+01
    7.7750  2.666140E+00  5.416276E+01
    7.8250  2.667585E+00  5.516623E+01
    7.8750  2.650010E+00  5.617587E+01
    7.9250  2.646821E+00  5.719714E+01
    7.9750  2.637514E+00  5.822770E+01
    8.0250  2.640948E+00  5.927258E+01
    8.0750  2.638327E+00  6.032948E+01
    8.1250  2.624862E+00  6.139404E+01
    8.1750  2.626831E+00  6.247255E+01
    8.2250  2.629877E+00  6.356556E+01
    8.2750  2.623175E+00  6.466908E+01
    8.3250  2.627697E+00  6.578791E+01
    8.3750  2.619605E+00  6.691672E+01
    8.4250  2.625868E+00  6.806179E+01
    8.4750  2.623885E+00  6.921961E+01
    8.5250  2.620311E+00  7.038954E+01
    8.5750  2.626175E+00  7.157588E+01
    8.6250  2.624176E+00  7.277518E+01
    8.6750  2.621553E+00  7.398721E+01
    8.7250  2.631564E+00  7.521794E+01
    8.7750  2.624665E+00  7.645955E+01
    8.8250  2.624141E+00  7.771510E+01
    8.8750  2.624263E+00  7.898498E+01
    8.9250  2.623579E+00  8.026887E+01
    8.9750  2.622744E+00  8.156677E+01
    9.0250  2.612292E+00  8.287395E+01
    9.0750  2.628747E+00  8.420397E+01
    9.1250  2.619495E+00  8.554396E+01
    9.1750  2.614978E+00  8.689633E+01
    9.2250  2.598605E+00  8.825493E+01
    9.2750  2.598739E+00  8.962836E+01
    9.3250  2.598557E+00  9.101655E+01
    9.3750  2.590892E+00  9.241552E+01
    9.4250  2.586301E+00  9.382695E+01
    9.4750  2.582388E+00  9.525123E+01
    9.5250  2.581296E+00  9.668998E+01
    9.5750  2.577216E+00  9.814158E+01
    9.6250  2.571712E+00  9.960524E+01
    9.6750  2.560152E+00  1.010775E+02
    9.7250  2.562264E+00  1.025662E+02
    9.7750  2.558136E+00  1.040679E+02
    9.8250  2.550635E+00  1.055805E+02
    9.8750  2.550823E+00  1.071087E+02
    9.9250  2.544507E+00  1.086486E+02
    9.9750  2.544947E+00  1.102043E+02
   10.0250  2.543972E+00  1.117750E+02
   10.0750  2.546179E+00  1.133628E+02
   10.1250  2.533856E+00  1.149586E+02
   10.1750  2.529201E+00  1.165673E+02
   10.2250  2.528759E+00  1.181915E+02
   10.2750  2.520994E+00  1.198267E+02
   10.3250  2.517041E+00  1.214752E+02
   10.3750  2.511632E+00  1.231361E+02
   10.4250  2.515085E+00  1.248154E+02
   10.4750  2.510573E+00  1.265077E+02
   10.5250  2.512401E+00  1.282176E+02
   10.5750  2.502676E+00  1.299370E+02
   10.6250  2.504550E+00  1.316740E+02
   10.6750  2.500855E+00  1.334248E+02
   10.7250  2.496188E+00  1.351888E+02
   10.7750  2.495075E+00  1.369684E+02
   10.8250  2.488929E+00  1.387602E+02
   10.8750  2.485575E+00  1.405661E+02
   10.9250  2.477943E+00  1.423831E+02
   10.9750  2.476838E+00  1.442160E+02
   11.0250  2.474258E+00  1.460636E+02
   11.0750  2.470533E+00  1.479253E+02
   11.1250  2.465958E+00  1.498003E+02
   11.1750  2.462802E+00  1.516897E+02
   11.2250  2.461852E+00  1.535954E+02
   11.2750  2.458512E+00  1.555155E+02
   11.3250  2.458260E+00  1.574525E+02
   11.3750  2.456623E+00  1.594053E+02
   11.4250  2.454577E+00  1.613736E+02
   11.4750  2.454411E+00  1.633591E+02
   11.5250  2.448047E+00  1.653568E+02
   11.5750  2.441278E+00  1.673662E+02
   11.6250  2.439789E+00  1.693918E+02
   11.6750  2.435183E+00  1.714310E+02
   11.7250  2.431296E+00  1.734845E+02
   11.7750  2.426275E+00  1.755512E+02
   11.8250  2.424188E+00  1.776337E+02
   11.8750  2.421355E+00  1.797314E+02
   11.9250  2.420507E+00  1.818460E+02
   11.9750  2.412764E+00  1.839716E+02
   12.0250  2.406552E+00  1.861095E+02
   12.0750  2.404154E+00  1.882631E+02
   12.1250  2.404592E+00  1.904349E+02
   12.1750  2.397041E+00  1.926178E+02
   12.2250  2.394625E+00  1.948164E+02
   12.2750  2.392463E+00  1.970310E+02
   12.3250  2.386784E+00  1.992585E+02
   12.3750  2.385672E+00  2.015030E+02
   12.4250  2.376707E+00  2.037571E+02
   12.4750  2.377420E+00  2.060301E+02
   12.5250  2.374646E+00  2.083187E+02
   12.5750  2.368221E+00  2.106194E+02
   12.6250  2.370448E+00  2.129406E+02
   12.6750  2.365634E+00  2.152755E+02
   12.7250  2.361511E+00  2.176247E+02
   12.7750  2.360141E+00  2.199910E+02
   12.8250  2.356808E+00  2.223725E+02
   12.8750  2.353561E+00  2.247694E+02
   12.9250  2.347710E+00  2.271788E+02
   12.9750  2.347476E+00  2.296068E+02
   13.0250  2.342211E+00  2.320479E+02
   13.0750  2.335167E+00  2.345005E+02
   13.1250  2.336372E+00  2.369731E+02
   13.1750  2.330607E+00  2.394584E+02
   13.2250  2.331856E+00  2.419640E+02
   13.2750  2.330361E+00  2.444870E+02
   13.3250  2.328524E+00  2.470270E+02
   13.3750  2.328498E+00  2.495860E+02
   13.4250  2.320900E+00  2.521558E+02
   13.4750  2.322144E+00  2.547462E+02
   13.5250  2.318130E+00  2.573513E+02
   13.5750  2.312297E+00  2.599692E+02
   13.6250  2.308346E+00  2.626018E+02
   13.6750  2.302819E+00  2.652474E+02
   13.7250  2.299308E+00  2.679084E+02
   13.7750  2.296678E+00  2.705857E+02
   13.8250  2.293948E+00  2.732793E+02
   13.8750  2.286741E+00  2.759839E+02
   13.9250  2.281098E+00  2.787013E+02
   13.9750  2.280428E+00  2.814374E+02

g(r)  :OW      HW      

        r      g(r)         n(r)

    1.3250  0.000000E+00  0.000000E+00
    1.3750  0.000000E+00  0.000000E+00
    1.4250  9.279191E-04  2.315424E-05
    1.4750  2.187995E-02  6.081035E-04
    1.5250  1.547957E-01  5.031782E-03
    1.5750  5.986473E-01  2.327976E-02
    1.6250  1.462691E+00  7.074108E-02
    1.6750  2.545645E+00  1.585030E-01
    1.7250  3.456116E+00  2.848727E-01
    1.7750  3.939078E+00  4.373714E-01
    1.8250  3.948402E+00  5.989637E-01
    1.8750  3.632145E+00  7.558690E-01
    1.9250  3.179492E+00  9.006427E-01
    1.9750  2.695025E+00  1.029814E+00
    2.0250  2.234251E+00  1.142391E+00
    2.0750  1.858355E+00  1.240709E+00
    2.1250  1.536646E+00  1.325972E+00
    2.1750  1.301754E+00  1.401640E+00
    2.2250  1.124048E+00  1.470016E+00
    2.2750  9.905441E-01  1.533011E+00
    2.3250  9.041282E-01  1.593064E+00
    2.3750  8.474548E-01  1.651800E+00
    2.4250  8.419453E-01  1.712638E+00
    2.4750  8.572489E-01  1.777161E+00
    2.5250  9.104063E-01  1.848482E+00
    2.5750  1.001712E+00  1.930095E+00
    2.6250  1.128086E+00  2.025607E+00
    2.6750  1.292467E+00  2.139246E+00
    2.7250  1.501420E+00  2.276237E+00
    2.7750  1.752799E+00  2.442088E+00
    2.8250  2.018556E+00  2.640028E+00
    2.8750  2.337580E+00  2.877439E+00
    2.9250  2.684503E+00  3.159648E+00
    2.9750  3.053820E+00  3.491752E+00
    3.0250  3.442586E+00  3.878824E+00
    3.0750  3.790645E+00  4.319236E+00
    3.1250  4.090957E+00  4.810122E+00
    3.1750  4.313577E+00  5.344416E+00
    3.2250  4.448641E+00  5.912930E+00
    3.2750  4.489721E+00  6.504624E+00
    3.3250  4.463631E+00  7.110977E+00
    3.3750  4.390695E+00  7.725496E+00
    3.4250  4.264215E+00  8.340126E+00
    3.4750  4.118472E+00  8.951208E+00
    3.5250  3.980500E+00  9.558936E+00
    3.5750  3.835281E+00  1.016122E+01
    3.6250  3.669891E+00  1.075377E+01
    3.6750  3.516016E+00  1.133724E+01
    3.7250  3.378131E+00  1.191318E+01
    3.7750  3.255866E+00  1.248329E+01
    3.8250  3.148580E+00  1.304930E+01
    3.8750  3.057349E+00  1.361338E+01
    3.9250  2.999421E+00  1.418115E+01
    3.9750  2.950470E+00  1.475397E+01
    4.0250  2.911097E+00  1.533345E+01
    4.0750  2.885987E+00  1.592230E+01
    4.1250  2.871093E+00  1.652257E+01
    4.1750  2.850169E+00  1.713299E+01
    4.2250  2.830981E+00  1.775392E+01
    4.2750  2.815867E+00  1.838624E+01
    4.3250  2.804551E+00  1.903084E+01
    4.3750  2.789740E+00  1.968694E+01
    4.4250  2.773768E+00  2.035428E+01
    4.4750  2.767463E+00  2.103523E+01
    4.5250  2.756446E+00  2.172872E+01
    4.5750  2.754540E+00  2.243712E+01
    4.6250  2.738337E+00  2.315684E+01
    4.6750  2.738785E+00  2.389232E+01
    4.7250  2.734936E+00  2.464256E+01
    4.7750  2.729659E+00  2.540729E+01
    4.8250  2.733482E+00  2.618920E+01
    4.8750  2.739605E+00  2.698920E+01
    4.9250  2.749329E+00  2.780859E+01
    4.9750  2.760251E+00  2.864802E+01
    5.0250  2.766437E+00  2.950632E+01
    5.0750  2.776230E+00  3.038489E+01
    5.1250  2.784826E+00  3.128364E+01
    5.1750  2.797136E+00  3.220405E+01
    5.2250  2.808426E+00  3.314613E+01
    5.2750  2.822035E+00  3.411097E+01
    5.3250  2.838834E+00  3.510004E+01
    5.3750  2.850029E+00  3.611175E+01
    5.4250  2.856879E+00  3.714485E+01
    5.4750  2.865613E+00  3.820029E+01
    5.5250  2.868563E+00  3.927621E+01
    5.5750  2.873133E+00  4.037343E+01
    5.6250  2.871543E+00  4.148980E+01
    5.6750  2.867428E+00  4.262448E+01
    5.7250  2.866589E+00  4.377891E+01
    5.7750  2.862399E+00  4.495187E+01
    5.8250  2.859091E+00  4.614385E+01
    5.8750  2.854181E+00  4.735429E+01
    5.9250  2.846353E+00  4.858205E+01
    5.9750  2.836534E+00  4.982632E+01
    6.0250  2.822581E+00  5.108527E+01
    6.0750  2.814827E+00  5.236169E+01
    6.1250  2.804394E+00  5.365439E+01
    6.1750  2.792753E+00  5.496284E+01
    6.2250  2.788151E+00  5.629037E+01
    6.2750  2.778021E+00  5.763440E+01
    6.3250  2.772203E+00  5.899709E+01
    6.3750  2.767032E+00  6.037882E+01
    6.4250  2.764226E+00  6.178088E+01
    6.4750  2.756527E+00  6.320089E+01
    6.5250  2.755240E+00  6.464223E+01
    6.5750  2.751884E+00  6.610397E+01
    6.6250  2.756857E+00  6.759071E+01
    6.6750  2.750824E+00  6.909667E+01
    6.7250  2.747233E+00  7.062328E+01
    6.7750  2.747812E+00  7.217300E+01
    6.8250  2.751225E+00  7.374764E+01
    6.8750  2.751849E+00  7.534579E+01
    6.9250  2.752787E+00  7.696782E+01
    6.9750  2.750451E+00  7.861197E+01
    7.0250  2.749074E+00  8.027894E+01
    7.0750  2.752447E+00  8.197179E+01
    7.1250  2.750660E+00  8.368755E+01
    7.1750  2.750366E+00  8.542728E+01
    7.2250  2.750408E+00  8.719137E+01
    7.2750  2.748877E+00  8.897896E+01
    7.3250  2.746264E+00  9.078949E+01
    7.3750  2.740092E+00  9.262070E+01
    7.4250  2.742890E+00  9.447871E+01
    7.4750  2.736680E+00  9.635757E+01
    7.5250  2.731077E+00  9.825775E+01
    7.5750  2.730080E+00  1.001826E+02
    7.6250  2.725575E+00  1.021297E+02
    7.6750  2.719177E+00  1.040977E+02
    7.7250  2.718131E+00  1.060908E+02
    7.7750  2.711161E+00  1.081045E+02
    7.8250  2.703364E+00  1.101384E+02
    7.8750  2.699219E+00  1.121951E+02
    7.9250  2.690261E+00  1.142712E+02
    7.9750  2.688503E+00  1.163722E+02
    8.0250  2.683155E+00  1.184953E+02
    8.0750  2.674934E+00  1.206384E+02
    8.1250  2.672370E+00  1.228061E+02
    8.1750  2.666549E+00  1.249957E+02
    8.2250  2.657822E+00  1.272050E+02
    8.2750  2.655021E+00  1.294388E+02
    8.3250  2.644279E+00  1.316906E+02
    8.3750  2.639560E+00  1.339654E+02
    8.4250  2.631253E+00  1.362603E+02
    8.4750  2.631186E+00  1.385823E+02
    8.5250  2.625298E+00  1.409267E+02
    8.5750  2.620839E+00  1.432945E+02
    8.6250  2.614247E+00  1.456840E+02
    8.6750  2.615252E+00  1.481023E+02
    8.7250  2.613281E+00  1.505466E+02
    8.7750  2.607682E+00  1.530138E+02
    8.8250  2.605568E+00  1.555071E+02
    8.8750  2.606685E+00  1.580299E+02
    8.9250  2.599529E+00  1.605741E+02
    8.9750  2.595855E+00  1.631433E+02
    9.0250  2.598451E+00  1.657438E+02
    9.0750  2.596639E+00  1.683713E+02
    9.1250  2.591370E+00  1.710225E+02
    9.1750  2.591789E+00  1.737033E+02
    9.2250  2.589794E+00  1.764113E+02
    9.2750  2.586974E+00  1.791457E+02
    9.3250  2.585803E+00  1.819085E+02
    9.3750  2.584547E+00  1.846996E+02
    9.4250  2.583333E+00  1.875192E+02
    9.4750  2.581817E+00  1.903671E+02
    9.5250  2.577589E+00  1.932405E+02
    9.5750  2.576447E+00  1.961428E+02
    9.6250  2.573354E+00  1.990720E+02
    9.6750  2.568685E+00  2.020263E+02
    9.7250  2.571536E+00  2.050146E+02
    9.7750  2.566522E+00  2.080278E+02
    9.8250  2.562573E+00  2.110672E+02
    9.8750  2.558739E+00  2.141330E+02
    9.9250  2.559613E+00  2.172310E+02
    9.9750  2.551578E+00  2.203505E+02
   10.0250  2.549085E+00  2.234983E+02
   10.0750  2.545183E+00  2.266726E+02
   10.1250  2.543974E+00  2.298770E+02
   10.1750  2.538423E+00  2.331061E+02
   10.2250  2.536033E+00  2.363640E+02
   10.2750  2.528628E+00  2.396441E+02
   10.3250  2.528062E+00  2.429555E+02
   10.3750  2.524878E+00  2.462949E+02
   10.4250  2.519660E+00  2.496596E+02
   10.4750  2.514638E+00  2.530498E+02
   10.5250  2.507879E+00  2.564633E+02
   10.5750  2.508126E+00  2.599096E+02
   10.6250  2.501454E+00  2.633794E+02
   10.6750  2.499779E+00  2.668795E+02
   10.7250  2.496449E+00  2.704078E+02
   10.7750  2.491046E+00  2.739613E+02
   10.8250  2.486738E+00  2.775418E+02
   10.8750  2.483861E+00  2.811511E+02
   10.9250  2.479778E+00  2.847878E+02
   10.9750  2.479019E+00  2.884567E+02
   11.0250  2.473272E+00  2.921505E+02
   11.0750  2.470274E+00  2.958734E+02
   11.1250  2.463140E+00  2.996191E+02
   11.1750  2.466537E+00  3.034038E+02
   11.2250  2.462759E+00  3.072166E+02
   11.2750  2.459389E+00  3.110581E+02
   11.3250  2.452098E+00  3.149224E+02
   11.3750  2.452539E+00  3.188215E+02
   11.4250  2.451611E+00  3.227534E+02
   11.4750  2.446314E+00  3.267113E+02
   11.5250  2.444162E+00  3.307003E+02
   11.5750  2.436484E+00  3.347113E+02
   11.6250  2.436278E+00  3.387567E+02
   11.6750  2.430709E+00  3.428276E+02
   11.7250  2.431097E+00  3.469341E+02
   11.7750  2.426084E+00  3.510672E+02
   11.8250  2.423023E+00  3.552302E+02
   11.8750  2.420150E+00  3.594235E+02
   11.9250  2.416540E+00  3.636459E+02
   11.9750  2.413723E+00  3.678988E+02
   12.0250  2.410873E+00  3.721822E+02
   12.0750  2.406994E+00  3.764944E+02
   12.1250  2.403859E+00  3.808367E+02
   12.1750  2.400983E+00  3.852096E+02
   12.2250  2.398385E+00  3.896138E+02
   12.2750  2.394829E+00  3.940475E+02
   12.3250  2.393883E+00  3.985156E+02
   12.3750  2.389291E+00  4.030114E+02
   12.4250  2.385108E+00  4.075356E+02
   12.4750  2.381170E+00  4.120889E+02
   12.5250  2.377728E+00  4.166720E+02
   12.5750  2.374706E+00  4.212860E+02
   12.6250  2.370902E+00  4.259292E+02
   12.6750  2.369327E+00  4.306062E+02
   12.7250  2.363895E+00  4.353094E+02
   12.7750  2.360612E+00  4.400430E+02
   12.8250  2.357174E+00  4.448068E+02
   12.8750  2.353749E+00  4.496008E+02
   12.9250  2.350483E+00  4.544255E+02
   12.9750  2.347097E+00  4.592805E+02
   13.0250  2.343430E+00  4.641654E+02
   13.0750  2.341706E+00  4.690842E+02
   13.1250  2.337940E+00  4.740328E+02
   13.1750  2.333412E+00  4.790095E+02
   13.2250  2.332125E+00  4.840212E+02
   13.2750  2.328118E+00  4.890623E+02
   13.3250  2.324441E+00  4.941334E+02
   13.3750  2.323733E+00  4.992410E+02
   13.4250  2.316845E+00  5.043716E+02
   13.4750  2.314618E+00  5.095356E+02
   13.5250  2.313002E+00  5.147343E+02
   13.5750  2.307854E+00  5.199599E+02
   13.6250  2.304732E+00  5.252169E+02
   13.6750  2.301167E+00  5.305044E+02
   13.7250  2.297346E+00  5.358218E+02
   13.7750  2.295857E+00  5.411745E+02
   13.8250  2.290233E+00  5.465530E+02
   13.8750  2.289020E+00  5.519675E+02
   13.9250  2.286788E+00  5.574159E+02
   13.9750  2.283738E+00  5.628961E+02

g(r)  :HW      HW      

        r      g(r)         n(r)

    1.2250  0.000000E+00  0.000000E+00
    1.2750  0.000000E+00  0.000000E+00
    1.3250  5.648687E-05  1.218644E-06
    1.3750  3.671771E-04  9.749154E-06
    1.4250  1.367460E-03  4.387119E-05
    1.4750  4.467157E-03  1.632983E-04
    1.5250  1.194016E-02  5.045187E-04
    1.5750  2.694592E-02  1.325885E-03
    1.6250  6.151821E-02  3.322024E-03
    1.6750  1.217043E-01  7.517817E-03
    1.7250  2.250373E-01  1.574610E-02
    1.7750  3.688262E-01  3.002496E-02
    1.8250  5.771040E-01  5.364350E-02
    1.8750  8.300217E-01  8.949967E-02
    1.9250  1.148909E+00  1.418136E-01
    1.9750  1.489998E+00  2.132286E-01
    2.0250  1.859856E+00  3.069412E-01
    2.0750  2.239894E+00  4.254446E-01
    2.1250  2.596517E+00  5.695151E-01
    2.1750  2.934879E+00  7.401131E-01
    2.2250  3.235378E+00  9.369242E-01
    2.2750  3.468802E+00  1.157524E+00
    2.3250  3.638878E+00  1.399224E+00
    2.3750  3.764666E+00  1.660149E+00
    2.4250  3.826212E+00  1.936623E+00
    2.4750  3.813541E+00  2.223661E+00
    2.5250  3.728100E+00  2.515721E+00
    2.5750  3.614346E+00  2.810192E+00
    2.6250  3.435066E+00  3.101032E+00
    2.6750  3.242768E+00  3.386148E+00
    2.7250  3.047022E+00  3.664162E+00
    2.7750  2.860614E+00  3.934834E+00
    2.8250  2.709274E+00  4.200507E+00
    2.8750  2.584771E+00  4.463023E+00
    2.9250  2.512311E+00  4.727131E+00
    2.9750  2.452422E+00  4.993832E+00
    3.0250  2.443697E+00  5.268593E+00
    3.0750  2.447874E+00  5.552996E+00
    3.1250  2.467444E+00  5.849072E+00
    3.1750  2.510659E+00  6.160051E+00
    3.2250  2.570016E+00  6.488486E+00
    3.2750  2.626585E+00  6.834640E+00
    3.3250  2.695543E+00  7.200811E+00
    3.3750  2.771272E+00  7.588676E+00
    3.4250  2.841361E+00  7.998221E+00
    3.4750  2.926610E+00  8.432459E+00
    3.5250  3.003159E+00  8.890970E+00
    3.5750  3.081139E+00  9.374827E+00
    3.6250  3.146663E+00  9.882892E+00
    3.6750  3.217675E+00  1.041685E+01
    3.7250  3.267190E+00  1.097388E+01
    3.7750  3.314682E+00  1.155429E+01
    3.8250  3.337244E+00  1.215422E+01
    3.8750  3.351264E+00  1.277253E+01
    3.9250  3.357774E+00  1.340813E+01
    3.9750  3.336755E+00  1.405594E+01
    4.0250  3.308593E+00  1.471455E+01
    4.0750  3.258563E+00  1.537941E+01
    4.1250  3.203712E+00  1.604922E+01
    4.1750  3.149463E+00  1.672375E+01
    4.2250  3.100397E+00  1.740377E+01
    4.2750  3.056898E+00  1.809022E+01
    4.3250  3.018950E+00  1.878409E+01
    4.3750  2.988006E+00  1.948682E+01
    4.4250  2.966217E+00  2.020046E+01
    4.4750  2.951004E+00  2.092658E+01
    4.5250  2.930069E+00  2.166374E+01
    4.5750  2.922398E+00  2.241532E+01
    4.6250  2.912735E+00  2.318087E+01
    4.6750  2.907249E+00  2.396159E+01
    4.7250  2.900239E+00  2.475718E+01
    4.7750  2.891806E+00  2.556733E+01
    4.8250  2.879761E+00  2.639109E+01
    4.8750  2.870400E+00  2.722928E+01
    4.9250  2.859356E+00  2.808146E+01
    4.9750  2.843949E+00  2.894634E+01
    5.0250  2.828654E+00  2.982395E+01
    5.0750  2.813626E+00  3.071436E+01
    5.1250  2.797393E+00  3.161716E+01
    5.1750  2.784066E+00  3.253327E+01
    5.2250  2.780108E+00  3.346585E+01
    5.2750  2.763965E+00  3.441083E+01
    5.3250  2.759439E+00  3.537225E+01
    5.3750  2.756223E+00  3.635066E+01
    5.4250  2.752262E+00  3.734592E+01
    5.4750  2.750751E+00  3.835906E+01
    5.5250  2.754172E+00  3.939207E+01
    5.5750  2.754093E+00  4.044383E+01
    5.6250  2.755447E+00  4.151507E+01
    5.6750  2.771458E+00  4.261177E+01
    5.7250  2.775293E+00  4.372943E+01
    5.7750  2.775235E+00  4.486667E+01
    5.8250  2.785491E+00  4.602797E+01
    5.8750  2.794317E+00  4.721303E+01
    5.9250  2.794765E+00  4.841853E+01
    5.9750  2.807811E+00  4.965020E+01
    6.0250  2.808945E+00  5.090307E+01
    6.0750  2.810454E+00  5.217750E+01
    6.1250  2.813711E+00  5.347450E+01
    6.1750  2.816980E+00  5.479430E+01
    6.2250  2.822581E+00  5.613822E+01
    6.2750  2.818401E+00  5.750179E+01
    6.3250  2.815090E+00  5.888556E+01
    6.3750  2.810362E+00  6.028892E+01
    6.4250  2.808268E+00  6.171333E+01
    6.4750  2.806179E+00  6.315891E+01
    6.5250  2.802443E+00  6.462495E+01
    6.5750  2.796519E+00  6.611040E+01
    6.6250  2.787031E+00  6.761341E+01
    6.6750  2.782605E+00  6.913677E+01
    6.7250  2.781321E+00  7.068232E+01
    6.7750  2.772330E+00  7.224587E+01
    6.8250  2.766804E+00  7.382942E+01
    6.8750  2.762899E+00  7.543399E+01
    6.9250  2.758154E+00  7.705919E+01
    6.9750  2.752229E+00  7.870440E+01
    7.0250  2.746659E+00  8.036990E+01
    7.0750  2.741321E+00  8.205591E+01
    7.1250  2.738977E+00  8.376438E+01
    7.1750  2.737612E+00  8.549604E+01
    7.2250  2.733386E+00  8.724922E+01
    7.2750  2.728863E+00  8.902380E+01
    7.3250  2.721687E+00  9.081812E+01
    7.3750  2.712660E+00  9.263099E+01
    7.4250  2.713998E+00  9.446944E+01
    7.4750  2.713261E+00  9.633222E+01
    7.5250  2.708226E+00  9.821650E+01
    7.5750  2.708133E+00  1.001258E+02
    7.6250  2.704495E+00  1.020579E+02
    7.6750  2.699588E+00  1.040118E+02
    7.7250  2.697662E+00  1.059898E+02
    7.7750  2.690768E+00  1.079884E+02
    7.8250  2.690240E+00  1.100124E+02
    7.8750  2.684545E+00  1.120580E+02
    7.9250  2.685840E+00  1.141306E+02
    7.9750  2.686463E+00  1.162300E+02
    8.0250  2.679616E+00  1.183504E+02
    8.0750  2.674251E+00  1.204929E+02
    8.1250  2.674047E+00  1.226619E+02
    8.1750  2.667273E+00  1.248522E+02
    8.2250  2.669601E+00  1.270712E+02
    8.2750  2.662518E+00  1.293114E+02
    8.3250  2.657934E+00  1.315748E+02
    8.3750  2.653689E+00  1.338618E+02
    8.4250  2.652685E+00  1.361753E+02
    8.4750  2.649136E+00  1.385132E+02
    8.5250  2.642728E+00  1.408731E+02
    8.5750  2.638683E+00  1.432571E+02
    8.6250  2.634502E+00  1.456651E+02
    8.6750  2.629726E+00  1.480967E+02
    8.7250  2.629169E+00  1.505560E+02
    8.7750  2.620458E+00  1.530352E+02
    8.8250  2.618341E+00  1.555407E+02
    8.8750  2.612602E+00  1.580692E+02
    8.9250  2.608243E+00  1.606220E+02
    8.9750  2.609284E+00  1.632045E+02
    9.0250  2.601225E+00  1.658077E+02
    9.0750  2.598440E+00  1.684371E+02
    9.1250  2.593937E+00  1.710909E+02
    9.1750  2.590178E+00  1.737700E+02
    9.2250  2.588998E+00  1.764772E+02
    9.2750  2.584156E+00  1.792086E+02
    9.3250  2.581290E+00  1.819666E+02
    9.3750  2.576951E+00  1.847495E+02
    9.4250  2.575094E+00  1.875601E+02
    9.4750  2.574053E+00  1.903995E+02
    9.5250  2.572921E+00  1.932676E+02
    9.5750  2.567224E+00  1.961595E+02
    9.6250  2.567322E+00  1.990819E+02
    9.6750  2.563375E+00  2.020301E+02
    9.7250  2.559098E+00  2.050039E+02
    9.7750  2.557203E+00  2.080062E+02
    9.8250  2.555709E+00  2.110374E+02
    9.8750  2.553671E+00  2.140972E+02
    9.9250  2.551029E+00  2.171848E+02
    9.9750  2.549345E+00  2.203015E+02
   10.0250  2.546978E+00  2.234467E+02
   10.0750  2.542946E+00  2.266183E+02
   10.1250  2.537168E+00  2.298141E+02
   10.1750  2.539015E+00  2.330440E+02
   10.2250  2.531118E+00  2.362955E+02
   10.2750  2.531461E+00  2.395793E+02
   10.3250  2.529650E+00  2.428928E+02
   10.3750  2.525306E+00  2.462327E+02
   10.4250  2.521121E+00  2.495993E+02
   10.4750  2.517038E+00  2.529928E+02
   10.5250  2.512786E+00  2.564130E+02
   10.5750  2.509479E+00  2.598612E+02
   10.6250  2.506295E+00  2.633376E+02
   10.6750  2.501889E+00  2.668407E+02
   10.7250  2.499805E+00  2.703738E+02
   10.7750  2.496324E+00  2.739348E+02
   10.8250  2.493084E+00  2.775244E+02
   10.8750  2.489224E+00  2.811416E+02
   10.9250  2.484313E+00  2.847849E+02
   10.9750  2.480245E+00  2.884556E+02
   11.0250  2.477845E+00  2.921562E+02
   11.0750  2.473901E+00  2.958846E+02
   11.1250  2.468772E+00  2.996389E+02
   11.1750  2.466470E+00  3.034235E+02
   11.2250  2.461762E+00  3.072347E+02
   11.2750  2.458000E+00  3.110741E+02
   11.3250  2.456440E+00  3.149451E+02
   11.3750  2.450662E+00  3.188413E+02
   11.4250  2.448278E+00  3.227679E+02
   11.4750  2.443826E+00  3.267218E+02
   11.5250  2.441711E+00  3.307067E+02
   11.5750  2.439430E+00  3.347226E+02
   11.6250  2.435812E+00  3.387672E+02
   11.6750  2.431845E+00  3.428400E+02
   11.7250  2.430949E+00  3.469463E+02
   11.7750  2.426857E+00  3.510807E+02
   11.8250  2.423514E+00  3.552445E+02
   11.8750  2.420007E+00  3.594376E+02
   11.9250  2.415936E+00  3.636589E+02
   11.9750  2.413289E+00  3.679111E+02
   12.0250  2.409974E+00  3.721929E+02
   12.0750  2.407364E+00  3.765057E+02
   12.1250  2.405739E+00  3.808514E+02
   12.1750  2.401530E+00  3.852254E+02
   12.2250  2.396772E+00  3.896266E+02
   12.2750  2.394665E+00  3.940599E+02
   12.3250  2.390701E+00  3.985221E+02
   12.3750  2.388102E+00  4.030157E+02
   12.4250  2.384807E+00  4.075393E+02
   12.4750  2.380811E+00  4.120919E+02
   12.5250  2.377817E+00  4.166752E+02
   12.5750  2.375292E+00  4.212903E+02
   12.6250  2.370760E+00  4.259333E+02
   12.6750  2.366724E+00  4.306051E+02
   12.7250  2.364044E+00  4.353086E+02
   12.7750  2.362838E+00  4.400467E+02
   12.8250  2.357956E+00  4.448120E+02
   12.8750  2.354915E+00  4.496085E+02
   12.9250  2.350141E+00  4.544324E+02
   12.9750  2.348853E+00  4.592911E+02
   13.0250  2.346820E+00  4.641830E+02
   13.0750  2.341785E+00  4.691020E+02
   13.1250  2.339094E+00  4.740530E+02
   13.1750  2.336742E+00  4.790368E+02
   13.2250  2.331760E+00  4.840478E+02
   13.2750  2.328375E+00  4.890894E+02
   13.3250  2.327954E+00  4.941681E+02
   13.3750  2.322644E+00  4.992734E+02
   13.4250  2.318449E+00  5.044076E+02
   13.4750  2.314819E+00  5.095720E+02
   13.5250  2.313866E+00  5.147726E+02
   13.5750  2.309111E+00  5.200011E+02
   13.6250  2.305292E+00  5.252594E+02
   13.6750  2.302861E+00  5.305508E+02
   13.7250  2.300398E+00  5.358752E+02
   13.7750  2.295271E+00  5.412266E+02
   13.8250  2.290143E+00  5.466048E+02
   13.8750  2.289855E+00  5.520213E+02
   13.9250  2.285620E+00  5.574669E+02
   13.9750  2.282700E+00  5.629446E+02


            Z DENSITY PROFILES

calculated using       5000 configurations

rho(r)  :ch2     

        r      rho         n(r)

   -6.3500  6.817892E-03  1.712720E+01
   -6.2500  6.984367E-03  3.467260E+01
   -6.1500  6.819325E-03  5.180340E+01
   -6.0500  6.774980E-03  6.882280E+01
   -5.9500  6.645765E-03  8.551760E+01
   -5.8500  6.727131E-03  1.024168E+02
   -5.7500  6.545848E-03  1.188606E+02
   -5.6500  7.090095E-03  1.366716E+02
   -5.5500  6.941215E-03  1.541086E+02
   -5.4500  6.000805E-03  1.691832E+02
   -5.3500  5.487609E-03  1.829686E+02
   -5.2500  5.917130E-03  1.978330E+02
   -5.1500  6.574191E-03  2.143480E+02
   -5.0500  6.740825E-03  2.312816E+02
   -4.9500  7.118677E-03  2.491644E+02
   -4.8500  7.721361E-03  2.685612E+02
   -4.7500  7.585379E-03  2.876164E+02
   -4.6500  7.033887E-03  3.052862E+02
   -4.5500  6.300237E-03  3.211130E+02
   -4.4500  5.775496E-03  3.356216E+02
   -4.3500  6.388609E-03  3.516704E+02
   -4.2500  6.524193E-03  3.680598E+02
   -4.1500  6.204221E-03  3.836454E+02
   -4.0500  6.894163E-03  4.009642E+02
   -3.9500  6.969081E-03  4.184712E+02
   -3.8500  6.421331E-03  4.346022E+02
   -3.7500  6.813195E-03  4.517176E+02
   -3.6500  7.116129E-03  4.695940E+02
   -3.5500  6.724822E-03  4.864874E+02
   -3.4500  6.945992E-03  5.039364E+02
   -3.3500  6.878399E-03  5.212156E+02
   -3.2500  6.840821E-03  5.384004E+02
   -3.1500  6.900691E-03  5.557356E+02
   -3.0500  6.167121E-03  5.712280E+02
   -2.9500  5.792772E-03  5.857800E+02
   -2.8500  5.750258E-03  6.002252E+02
   -2.7500  6.600544E-03  6.168064E+02
   -2.6500  7.109441E-03  6.346660E+02
   -2.5500  7.408475E-03  6.532768E+02
   -2.4500  8.746083E-03  6.752478E+02
   -2.3500  7.632988E-03  6.944226E+02
   -2.2500  7.841579E-03  7.141214E+02
   -2.1500  7.431324E-03  7.327896E+02
   -2.0500  6.051281E-03  7.479910E+02
   -1.9500  5.510617E-03  7.618342E+02
   -1.8500  6.044514E-03  7.770186E+02
   -1.7500  6.429053E-03  7.931690E+02
   -1.6500  6.118715E-03  8.085398E+02
   -1.5500  7.289530E-03  8.268518E+02
   -1.4500  7.522801E-03  8.457498E+02
   -1.3500  7.356327E-03  8.642296E+02
   -1.2500  7.188817E-03  8.822886E+02
   -1.1500  7.415401E-03  9.009168E+02
   -1.0500  7.834652E-03  9.205982E+02
   -0.9500  7.429891E-03  9.392628E+02
   -0.8500  6.509146E-03  9.556144E+02
   -0.7500  6.717657E-03  9.724898E+02
   -0.6500  5.691741E-03  9.867880E+02
   -0.5500  5.721517E-03  1.001161E+03
   -0.4500  6.829357E-03  1.018317E+03
   -0.3500  5.002436E-03  1.030884E+03
   -0.2500  6.965577E-03  1.048382E+03
   -0.1500  8.062032E-03  1.068634E+03
   -0.0500  8.118559E-03  1.089029E+03
    0.0500  7.591907E-03  1.108101E+03
    0.1500  7.151717E-03  1.126066E+03
    0.2500  6.241799E-03  1.141746E+03
    0.3500  5.758697E-03  1.156213E+03
    0.4500  6.951406E-03  1.173675E+03
    0.5500  6.708581E-03  1.190528E+03
    0.6500  6.319981E-03  1.206404E+03
    0.7500  6.323564E-03  1.222290E+03
    0.8500  5.290801E-03  1.235581E+03
    0.9500  7.359511E-03  1.254069E+03
    1.0500  8.221819E-03  1.274723E+03
    1.1500  6.885963E-03  1.292021E+03
    1.2500  7.611015E-03  1.311140E+03
    1.3500  6.764948E-03  1.328135E+03
    1.4500  6.102474E-03  1.343465E+03
    1.5500  7.537132E-03  1.362399E+03
    1.6500  6.020072E-03  1.377522E+03
    1.7500  6.842015E-03  1.394709E+03
    1.8500  5.466511E-03  1.408442E+03
    1.9500  4.997818E-03  1.420997E+03
    2.0500  6.315363E-03  1.436862E+03
    2.1500  5.804475E-03  1.451443E+03
    2.2500  6.526183E-03  1.467837E+03
    2.3500  8.480169E-03  1.489140E+03
    2.4500  9.033094E-03  1.511832E+03
    2.5500  6.950689E-03  1.529293E+03
    2.6500  4.940336E-03  1.541704E+03
    2.7500  5.444617E-03  1.555381E+03
    2.8500  7.630441E-03  1.574550E+03
    2.9500  7.391119E-03  1.593117E+03
    3.0500  6.418863E-03  1.609242E+03
    3.1500  6.611132E-03  1.625849E+03
    3.2500  6.818688E-03  1.642979E+03
    3.3500  6.238933E-03  1.658651E+03
    3.4500  5.769843E-03  1.673146E+03
    3.5500  7.738159E-03  1.692585E+03
    3.6500  6.976246E-03  1.710110E+03
    3.7500  6.947107E-03  1.727562E+03
    3.8500  5.300912E-03  1.740878E+03
    3.9500  6.735491E-03  1.757798E+03
    4.0500  6.027556E-03  1.772940E+03
    4.1500  6.412334E-03  1.789048E+03
    4.2500  6.116725E-03  1.804414E+03
    4.3500  5.363489E-03  1.817888E+03
    4.4500  5.126157E-03  1.830765E+03
    4.5500  6.620527E-03  1.847397E+03
    4.6500  6.814946E-03  1.864516E+03
    4.7500  8.334872E-03  1.885454E+03
    4.8500  7.548119E-03  1.904416E+03
    4.9500  8.007655E-03  1.924532E+03
    5.0500  6.308278E-03  1.940379E+03
    5.1500  5.656233E-03  1.954588E+03
    5.2500  5.948100E-03  1.969530E+03
    5.3500  7.026722E-03  1.987182E+03
    5.4500  7.029986E-03  2.004842E+03
    5.5500  5.996427E-03  2.019906E+03
    5.6500  5.947623E-03  2.034847E+03
    5.7500  6.020072E-03  2.049970E+03
    5.8500  6.147137E-03  2.065412E+03
    5.9500  6.234793E-03  2.081074E+03
    6.0500  7.001484E-03  2.098663E+03
    6.1500  7.166207E-03  2.116665E+03
    6.2500  6.538683E-03  2.133091E+03
    6.3500  6.195384E-03  2.148654E+03

rho(r)  :CT      

        r      rho         n(r)

   -6.3500  7.881864E-06  1.980000E-02
   -6.2500  7.483790E-06  3.860000E-02
   -6.1500  0.000000E+00  3.860000E-02
   -6.0500  0.000000E+00  3.860000E-02
   -5.9500  0.000000E+00  3.860000E-02
   -5.8500  0.000000E+00  3.860000E-02
   -5.7500  0.000000E+00  3.860000E-02
   -5.6500  0.000000E+00  3.860000E-02
   -5.5500  0.000000E+00  3.860000E-02
   -5.4500  0.000000E+00  3.860000E-02
   -5.3500  0.000000E+00  3.860000E-02
   -5.2500  0.000000E+00  3.860000E-02
   -5.1500  0.000000E+00  3.860000E-02
   -5.0500  0.000000E+00  3.860000E-02
   -4.9500  0.000000E+00  3.860000E-02
   -4.8500  0.000000E+00  3.860000E-02
   -4.7500  0.000000E+00  3.860000E-02
   -4.6500  0.000000E+00  3.860000E-02
   -4.5500  0.000000E+00  3.860000E-02
   -4.4500  0.000000E+00  3.860000E-02
   -4.3500  0.000000E+00  3.860000E-02
   -4.2500  0.000000E+00  3.860000E-02
   -4.1500  0.000000E+00  3.860000E-02
   -4.0500  0.000000E+00  3.860000E-02
   -3.9500  0.000000E+00  3.860000E-02
   -3.8500  0.000000E+00  3.860000E-02
   -3.7500  0.000000E+00  3.860000E-02
   -3.6500  0.000000E+00  3.860000E-02
   -3.5500  0.000000E+00  3.860000E-02
   -3.4500  0.000000E+00  3.860000E-02
   -3.3500  0.000000E+00  3.860000E-02
   -3.2500  0.000000E+00  3.860000E-02
   -3.1500  0.000000E+00  3.860000E-02
   -3.0500  0.000000E+00  3.860000E-02
   -2.9500  0.000000E+00  3.860000E-02
   -2.8500  0.000000E+00  3.860000E-02
   -2.7500  0.000000E+00  3.860000E-02
   -2.6500  0.000000E+00  3.860000E-02
   -2.5500  0.000000E+00  3.860000E-02
   -2.4500  0.000000E+00  3.860000E-02
   -2.3500  0.000000E+00  3.860000E-02
   -2.2500  0.000000E+00  3.860000E-02
   -2.1500  0.000000E+00  3.860000E-02
   -2.0500  0.000000E+00  3.860000E-02
   -1.9500  0.000000E+00  3.860000E-02
   -1.8500  0.000000E+00  3.860000E-02
   -1.7500  0.000000E+00  3.860000E-02
   -1.6500  0.000000E+00  3.860000E-02
   -1.5500  0.000000E+00  3.860000E-02
   -1.4500  0.000000E+00  3.860000E-02
   -1.3500  0.000000E+00  3.860000E-02
   -1.2500  0.000000E+00  3.860000E-02
   -1.1500  0.000000E+00  3.860000E-02
   -1.0500  0.000000E+00  3.860000E-02
   -0.9500  0.000000E+00  3.860000E-02
   -0.8500  0.000000E+00  3.860000E-02
   -0.7500  0.000000E+00  3.860000E-02
   -0.6500  0.000000E+00  3.860000E-02
   -0.5500  0.000000E+00  3.860000E-02
   -0.4500  0.000000E+00  3.860000E-02
   -0.3500  0.000000E+00  3.860000E-02
   -0.2500  0.000000E+00  3.860000E-02
   -0.1500  0.000000E+00  3.860000E-02
   -0.0500  0.000000E+00  3.860000E-02
    0.0500  0.000000E+00  3.860000E-02
    0.1500  0.000000E+00  3.860000E-02
    0.2500  0.000000E+00  3.860000E-02
    0.3500  0.000000E+00  3.860000E-02
    0.4500  0.000000E+00  3.860000E-02
    0.5500  0.000000E+00  3.860000E-02
    0.6500  0.000000E+00  3.860000E-02
    0.7500  0.000000E+00  3.860000E-02
    0.8500  0.000000E+00  3.860000E-02
    0.9500  0.000000E+00  3.860000E-02
    1.0500  0.000000E+00  3.860000E-02
    1.1500  0.000000E+00  3.860000E-02
    1.2500  0.000000E+00  3.860000E-02
    1.3500  0.000000E+00  3.860000E-02
    1.4500  0.000000E+00  3.860000E-02
    1.5500  0.000000E+00  3.860000E-02
    1.6500  0.000000E+00  3.860000E-02
    1.7500  0.000000E+00  3.860000E-02
    1.8500  0.000000E+00  3.860000E-02
    1.9500  0.000000E+00  3.860000E-02
    2.0500  0.000000E+00  3.860000E-02
    2.1500  0.000000E+00  3.860000E-02
    2.2500  0.000000E+00  3.860000E-02
    2.3500  0.000000E+00  3.860000E-02
    2.4500  0.000000E+00  3.860000E-02
    2.5500  0.000000E+00  3.860000E-02
    2.6500  0.000000E+00  3.860000E-02
    2.7500  0.000000E+00  3.860000E-02
    2.8500  0.000000E+00  3.860000E-02
    2.9500  0.000000E+00  3.860000E-02
    3.0500  0.000000E+00  3.860000E-02
    3.1500  0.000000E+00  3.860000E-02
    3.2500  0.000000E+00  3.860000E-02
    3.3500  0.000000E+00  3.860000E-02
    3.4500  0.000000E+00  3.860000E-02
    3.5500  0.000000E+00  3.860000E-02
    3.6500  0.000000E+00  3.860000E-02
    3.7500  0.000000E+00  3.860000E-02
    3.8500  0.000000E+00  3.860000E-02
    3.9500  0.000000E+00  3.860000E-02
    4.0500  0.000000E+00  3.860000E-02
    4.1500  0.000000E+00  3.860000E-02
    4.2500  0.000000E+00  3.860000E-02
    4.3500  0.000000E+00  3.860000E-02
    4.4500  0.000000E+00  3.860000E-02
    4.5500  0.000000E+00  3.860000E-02
    4.6500  0.000000E+00  3.860000E-02
    4.7500  0.000000E+00  3.860000E-02
    4.8500  0.000000E+00  3.860000E-02
    4.9500  0.000000E+00  3.860000E-02
    5.0500  0.000000E+00  3.860000E-02
    5.1500  0.000000E+00  3.860000E-02
    5.2500  0.000000E+00  3.860000E-02
    5.3500  0.000000E+00  3.860000E-02
    5.4500  0.000000E+00  3.860000E-02
    5.5500  0.000000E+00  3.860000E-02
    5.6500  0.000000E+00  3.860000E-02
    5.7500  0.000000E+00  3.860000E-02
    5.8500  0.000000E+00  3.860000E-02
    5.9500  0.000000E+00  3.860000E-02
    6.0500  0.000000E+00  3.860000E-02
    6.1500  0.000000E+00  3.860000E-02
    6.2500  0.000000E+00  3.860000E-02
    6.3500  0.000000E+00  3.860000E-02

rho(r)  :C       

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :H       

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :HC      

        r      rho         n(r)

   -6.3500  5.119231E-05  1.286000E-01
   -6.2500  3.487128E-05  2.162000E-01
   -6.1500  3.893163E-05  3.140000E-01
   -6.0500  2.643211E-05  3.804000E-01
   -5.9500  1.775410E-05  4.250000E-01
   -5.8500  1.624142E-05  4.658000E-01
   -5.7500  7.802249E-06  4.854000E-01
   -5.6500  4.458428E-06  4.966000E-01
   -5.5500  6.209954E-06  5.122000E-01
   -5.4500  5.413806E-06  5.258000E-01
   -5.3500  1.910755E-06  5.306000E-01
   -5.2500  0.000000E+00  5.306000E-01
   -5.1500  0.000000E+00  5.306000E-01
   -5.0500  0.000000E+00  5.306000E-01
   -4.9500  0.000000E+00  5.306000E-01
   -4.8500  0.000000E+00  5.306000E-01
   -4.7500  0.000000E+00  5.306000E-01
   -4.6500  0.000000E+00  5.306000E-01
   -4.5500  0.000000E+00  5.306000E-01
   -4.4500  0.000000E+00  5.306000E-01
   -4.3500  0.000000E+00  5.306000E-01
   -4.2500  0.000000E+00  5.306000E-01
   -4.1500  0.000000E+00  5.306000E-01
   -4.0500  0.000000E+00  5.306000E-01
   -3.9500  0.000000E+00  5.306000E-01
   -3.8500  0.000000E+00  5.306000E-01
   -3.7500  0.000000E+00  5.306000E-01
   -3.6500  0.000000E+00  5.306000E-01
   -3.5500  0.000000E+00  5.306000E-01
   -3.4500  0.000000E+00  5.306000E-01
   -3.3500  0.000000E+00  5.306000E-01
   -3.2500  0.000000E+00  5.306000E-01
   -3.1500  0.000000E+00  5.306000E-01
   -3.0500  0.000000E+00  5.306000E-01
   -2.9500  0.000000E+00  5.306000E-01
   -2.8500  0.000000E+00  5.306000E-01
   -2.7500  0.000000E+00  5.306000E-01
   -2.6500  0.000000E+00  5.306000E-01
   -2.5500  0.000000E+00  5.306000E-01
   -2.4500  0.000000E+00  5.306000E-01
   -2.3500  0.000000E+00  5.306000E-01
   -2.2500  0.000000E+00  5.306000E-01
   -2.1500  0.000000E+00  5.306000E-01
   -2.0500  0.000000E+00  5.306000E-01
   -1.9500  0.000000E+00  5.306000E-01
   -1.8500  0.000000E+00  5.306000E-01
   -1.7500  0.000000E+00  5.306000E-01
   -1.6500  0.000000E+00  5.306000E-01
   -1.5500  0.000000E+00  5.306000E-01
   -1.4500  0.000000E+00  5.306000E-01
   -1.3500  0.000000E+00  5.306000E-01
   -1.2500  0.000000E+00  5.306000E-01
   -1.1500  0.000000E+00  5.306000E-01
   -1.0500  0.000000E+00  5.306000E-01
   -0.9500  0.000000E+00  5.306000E-01
   -0.8500  0.000000E+00  5.306000E-01
   -0.7500  0.000000E+00  5.306000E-01
   -0.6500  0.000000E+00  5.306000E-01
   -0.5500  0.000000E+00  5.306000E-01
   -0.4500  0.000000E+00  5.306000E-01
   -0.3500  0.000000E+00  5.306000E-01
   -0.2500  0.000000E+00  5.306000E-01
   -0.1500  0.000000E+00  5.306000E-01
   -0.0500  0.000000E+00  5.306000E-01
    0.0500  0.000000E+00  5.306000E-01
    0.1500  0.000000E+00  5.306000E-01
    0.2500  0.000000E+00  5.306000E-01
    0.3500  0.000000E+00  5.306000E-01
    0.4500  0.000000E+00  5.306000E-01
    0.5500  0.000000E+00  5.306000E-01
    0.6500  0.000000E+00  5.306000E-01
    0.7500  0.000000E+00  5.306000E-01
    0.8500  0.000000E+00  5.306000E-01
    0.9500  0.000000E+00  5.306000E-01
    1.0500  0.000000E+00  5.306000E-01
    1.1500  0.000000E+00  5.306000E-01
    1.2500  0.000000E+00  5.306000E-01
    1.3500  0.000000E+00  5.306000E-01
    1.4500  0.000000E+00  5.306000E-01
    1.5500  0.000000E+00  5.306000E-01
    1.6500  0.000000E+00  5.306000E-01
    1.7500  0.000000E+00  5.306000E-01
    1.8500  0.000000E+00  5.306000E-01
    1.9500  0.000000E+00  5.306000E-01
    2.0500  0.000000E+00  5.306000E-01
    2.1500  0.000000E+00  5.306000E-01
    2.2500  0.000000E+00  5.306000E-01
    2.3500  0.000000E+00  5.306000E-01
    2.4500  0.000000E+00  5.306000E-01
    2.5500  0.000000E+00  5.306000E-01
    2.6500  0.000000E+00  5.306000E-01
    2.7500  0.000000E+00  5.306000E-01
    2.8500  0.000000E+00  5.306000E-01
    2.9500  0.000000E+00  5.306000E-01
    3.0500  0.000000E+00  5.306000E-01
    3.1500  0.000000E+00  5.306000E-01
    3.2500  0.000000E+00  5.306000E-01
    3.3500  0.000000E+00  5.306000E-01
    3.4500  0.000000E+00  5.306000E-01
    3.5500  0.000000E+00  5.306000E-01
    3.6500  0.000000E+00  5.306000E-01
    3.7500  0.000000E+00  5.306000E-01
    3.8500  0.000000E+00  5.306000E-01
    3.9500  0.000000E+00  5.306000E-01
    4.0500  0.000000E+00  5.306000E-01
    4.1500  0.000000E+00  5.306000E-01
    4.2500  0.000000E+00  5.306000E-01
    4.3500  0.000000E+00  5.306000E-01
    4.4500  0.000000E+00  5.306000E-01
    4.5500  0.000000E+00  5.306000E-01
    4.6500  0.000000E+00  5.306000E-01
    4.7500  0.000000E+00  5.306000E-01
    4.8500  0.000000E+00  5.306000E-01
    4.9500  0.000000E+00  5.306000E-01
    5.0500  0.000000E+00  5.306000E-01
    5.1500  0.000000E+00  5.306000E-01
    5.2500  0.000000E+00  5.306000E-01
    5.3500  0.000000E+00  5.306000E-01
    5.4500  0.000000E+00  5.306000E-01
    5.5500  0.000000E+00  5.306000E-01
    5.6500  0.000000E+00  5.306000E-01
    5.7500  0.000000E+00  5.306000E-01
    5.8500  0.000000E+00  5.306000E-01
    5.9500  0.000000E+00  5.306000E-01
    6.0500  0.000000E+00  5.306000E-01
    6.1500  0.000000E+00  5.306000E-01
    6.2500  0.000000E+00  5.306000E-01
    6.3500  0.000000E+00  5.306000E-01

rho(r)  :N       

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :OS      

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :Oe      

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :O       

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :K       

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :cl      

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :OW      

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

rho(r)  :HW      

        r      rho         n(r)

   -6.3500  0.000000E+00  0.000000E+00
   -6.2500  0.000000E+00  0.000000E+00
   -6.1500  0.000000E+00  0.000000E+00
   -6.0500  0.000000E+00  0.000000E+00
   -5.9500  0.000000E+00  0.000000E+00
   -5.8500  0.000000E+00  0.000000E+00
   -5.7500  0.000000E+00  0.000000E+00
   -5.6500  0.000000E+00  0.000000E+00
   -5.5500  0.000000E+00  0.000000E+00
   -5.4500  0.000000E+00  0.000000E+00
   -5.3500  0.000000E+00  0.000000E+00
   -5.2500  0.000000E+00  0.000000E+00
   -5.1500  0.000000E+00  0.000000E+00
   -5.0500  0.000000E+00  0.000000E+00
   -4.9500  0.000000E+00  0.000000E+00
   -4.8500  0.000000E+00  0.000000E+00
   -4.7500  0.000000E+00  0.000000E+00
   -4.6500  0.000000E+00  0.000000E+00
   -4.5500  0.000000E+00  0.000000E+00
   -4.4500  0.000000E+00  0.000000E+00
   -4.3500  0.000000E+00  0.000000E+00
   -4.2500  0.000000E+00  0.000000E+00
   -4.1500  0.000000E+00  0.000000E+00
   -4.0500  0.000000E+00  0.000000E+00
   -3.9500  0.000000E+00  0.000000E+00
   -3.8500  0.000000E+00  0.000000E+00
   -3.7500  0.000000E+00  0.000000E+00
   -3.6500  0.000000E+00  0.000000E+00
   -3.5500  0.000000E+00  0.000000E+00
   -3.4500  0.000000E+00  0.000000E+00
   -3.3500  0.000000E+00  0.000000E+00
   -3.2500  0.000000E+00  0.000000E+00
   -3.1500  0.000000E+00  0.000000E+00
   -3.0500  0.000000E+00  0.000000E+00
   -2.9500  0.000000E+00  0.000000E+00
   -2.8500  0.000000E+00  0.000000E+00
   -2.7500  0.000000E+00  0.000000E+00
   -2.6500  0.000000E+00  0.000000E+00
   -2.5500  0.000000E+00  0.000000E+00
   -2.4500  0.000000E+00  0.000000E+00
   -2.3500  0.000000E+00  0.000000E+00
   -2.2500  0.000000E+00  0.000000E+00
   -2.1500  0.000000E+00  0.000000E+00
   -2.0500  0.000000E+00  0.000000E+00
   -1.9500  0.000000E+00  0.000000E+00
   -1.8500  0.000000E+00  0.000000E+00
   -1.7500  0.000000E+00  0.000000E+00
   -1.6500  0.000000E+00  0.000000E+00
   -1.5500  0.000000E+00  0.000000E+00
   -1.4500  0.000000E+00  0.000000E+00
   -1.3500  0.000000E+00  0.000000E+00
   -1.2500  0.000000E+00  0.000000E+00
   -1.1500  0.000000E+00  0.000000E+00
   -1.0500  0.000000E+00  0.000000E+00
   -0.9500  0.000000E+00  0.000000E+00
   -0.8500  0.000000E+00  0.000000E+00
   -0.7500  0.000000E+00  0.000000E+00
   -0.6500  0.000000E+00  0.000000E+00
   -0.5500  0.000000E+00  0.000000E+00
   -0.4500  0.000000E+00  0.000000E+00
   -0.3500  0.000000E+00  0.000000E+00
   -0.2500  0.000000E+00  0.000000E+00
   -0.1500  0.000000E+00  0.000000E+00
   -0.0500  0.000000E+00  0.000000E+00
    0.0500  0.000000E+00  0.000000E+00
    0.1500  0.000000E+00  0.000000E+00
    0.2500  0.000000E+00  0.000000E+00
    0.3500  0.000000E+00  0.000000E+00
    0.4500  0.000000E+00  0.000000E+00
    0.5500  0.000000E+00  0.000000E+00
    0.6500  0.000000E+00  0.000000E+00
    0.7500  0.000000E+00  0.000000E+00
    0.8500  0.000000E+00  0.000000E+00
    0.9500  0.000000E+00  0.000000E+00
    1.0500  0.000000E+00  0.000000E+00
    1.1500  0.000000E+00  0.000000E+00
    1.2500  0.000000E+00  0.000000E+00
    1.3500  0.000000E+00  0.000000E+00
    1.4500  0.000000E+00  0.000000E+00
    1.5500  0.000000E+00  0.000000E+00
    1.6500  0.000000E+00  0.000000E+00
    1.7500  0.000000E+00  0.000000E+00
    1.8500  0.000000E+00  0.000000E+00
    1.9500  0.000000E+00  0.000000E+00
    2.0500  0.000000E+00  0.000000E+00
    2.1500  0.000000E+00  0.000000E+00
    2.2500  0.000000E+00  0.000000E+00
    2.3500  0.000000E+00  0.000000E+00
    2.4500  0.000000E+00  0.000000E+00
    2.5500  0.000000E+00  0.000000E+00
    2.6500  0.000000E+00  0.000000E+00
    2.7500  0.000000E+00  0.000000E+00
    2.8500  0.000000E+00  0.000000E+00
    2.9500  0.000000E+00  0.000000E+00
    3.0500  0.000000E+00  0.000000E+00
    3.1500  0.000000E+00  0.000000E+00
    3.2500  0.000000E+00  0.000000E+00
    3.3500  0.000000E+00  0.000000E+00
    3.4500  0.000000E+00  0.000000E+00
    3.5500  0.000000E+00  0.000000E+00
    3.6500  0.000000E+00  0.000000E+00
    3.7500  0.000000E+00  0.000000E+00
    3.8500  0.000000E+00  0.000000E+00
    3.9500  0.000000E+00  0.000000E+00
    4.0500  0.000000E+00  0.000000E+00
    4.1500  0.000000E+00  0.000000E+00
    4.2500  0.000000E+00  0.000000E+00
    4.3500  0.000000E+00  0.000000E+00
    4.4500  0.000000E+00  0.000000E+00
    4.5500  0.000000E+00  0.000000E+00
    4.6500  0.000000E+00  0.000000E+00
    4.7500  0.000000E+00  0.000000E+00
    4.8500  0.000000E+00  0.000000E+00
    4.9500  0.000000E+00  0.000000E+00
    5.0500  0.000000E+00  0.000000E+00
    5.1500  0.000000E+00  0.000000E+00
    5.2500  0.000000E+00  0.000000E+00
    5.3500  0.000000E+00  0.000000E+00
    5.4500  0.000000E+00  0.000000E+00
    5.5500  0.000000E+00  0.000000E+00
    5.6500  0.000000E+00  0.000000E+00
    5.7500  0.000000E+00  0.000000E+00
    5.8500  0.000000E+00  0.000000E+00
    5.9500  0.000000E+00  0.000000E+00
    6.0500  0.000000E+00  0.000000E+00
    6.1500  0.000000E+00  0.000000E+00
    6.2500  0.000000E+00  0.000000E+00
    6.3500  0.000000E+00  0.000000E+00

 time elapsed since job start =        1172.474 seconds

