
                    DL_POLY Version 2.20

                              Running on   32 nodes


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 ***************     DL_POLY BENCHMARK 6: VALINOMYCIN + K + 1223 SPC WATER MOLECULES                      ***************
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 SIMULATION CONTROL PARAMETERS


 simulation temperature           3.1000E+02

 simulation pressure (katm)       0.0000E+00

 selected number of timesteps         5000

 equilibration period                 2000

 simulation timestep              1.0000E-03

 Nose-Hoover 
 thermostat relaxation time       5.0000E-01

 real space cut off               1.6000E+01

 primary neighbour cut off        1.2000E+01

 real space cut off (vdw)         1.0000E+01

 border width of Verlet shell     1.2000E+00

 data printing interval                 10


 radial distribution functions on 
 g(r) collection interval                1
 g(r) bin width                   5.0000E-02

 g(r) printing option on      

 scaled restart requested

 Ewald sum  precision             5.0000E-06

 Electrostatics : Ewald sum  

 Ewald convergence parameter      1.8018E-01
 Ewald kmax1 kmax2 kmax3        10   10   10

 tolerance for SHAKE              1.0000E-08

 equilibration included in overall averages

 statistics file interval              100

 data stacking interval                100

 user allocated job time (h)      1.6667

 job closure time        (s)     100.000


SYSTEM SPECIFICATION

 energy units=kcal/ mol 


 number of molecular types               2

 molecular species type                  1


 name of species:             K-VALINOMYCIN                           

 number of molecules                     1

 number of atoms/sites                 169


 atomic characteristics:

                      site     name          mass        charge    repeat    freeze

                         1     CT          12.01000     0.27200         3         0
                         4     C           12.01000     0.47700         3         0
                         7     CT          12.01000    -0.01830         3         0
                        10     CT          12.01000    -0.13900         6         0
                        16     CT          12.01000    -0.14950         3         0
                        19     CT          12.01000    -0.01830         3         0
                        22     CT          12.01000    -0.07300         2         0
                        24     CT          12.01000    -0.13900         5         0
                        29     CT          12.01000    -0.07300         1         0
                        30     CT          12.01000    -0.13900         1         0
                        31     CT          12.01000    -0.01830         3         0
                        34     CT          12.01000    -0.13900         6         0
                        40     C           12.01000     0.69200         3         0
                        43     CT          12.01000     0.27200         3         0
                        46     C           12.01000     0.47700         3         0
                        49     CT          12.01000    -0.07300         3         0
                        52     C           12.01000     0.69200         3         0
                        55     H            1.00800     0.21100         2         0
                        57     HC           1.00800    -0.00900         3         0
                        60     HC           1.00800     0.03700         3         0
                        63     HC           1.00800     0.04730        18         0
                        81     HC           1.00800     0.05800         9         0
                        90     HC           1.00800     0.03700         3         0
                        93     HC           1.00800     0.05800         2         0
                        95     HC           1.00800     0.04730        18         0
                       113     HC           1.00800     0.03700         3         0
                       116     HC           1.00800     0.04730        18         0
                       134     HC           1.00800    -0.00900         2         0
                       136     H            1.00800     0.21100         1         0
                       137     HC           1.00800    -0.00900         1         0
                       138     HC           1.00800     0.05800         1         0
                       139     H            1.00800     0.21100         1         0
                       140     HC           1.00800     0.05800         1         0
                       141     H            1.00800     0.21100         2         0
                       143     HC           1.00800     0.05800         2         0
                       145     N           14.01000    -0.40100         6         0
                       151     OS          16.00000    -0.45500         3         0
                       154     Oe          16.00000    -0.41600         3         0
                       157     O           16.00000    -0.40500         3         0
                       160     Oe          16.00000    -0.41600         3         0
                       163     O           16.00000    -0.40500         3         0
                       166     OS          16.00000    -0.45500         3         0
                       169     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
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                           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
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                           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
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                           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
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                           cos         29         9        15        71  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         62         9        15        71  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         46        43        16        83  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         46        43        16        84  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         47        44        17        86  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         48        45        18        87  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           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         53        50        20        91  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         13         7        22        93  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         13         7        22       145  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         14         8        23        94  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         14         8        23       146  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           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
                           cos         90        19        24        95  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         27        19        24        97  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         49        19        24        97  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         90        19        24        97  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         27        19        24        98  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           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
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                           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
                           cos         50        20        25        99  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        25        99  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         28        20        25       100  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         50        20        25       100  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         91        20        25       100  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         51        21        26       101  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           cos         92        21        26       101  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           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
                           cos         92        21        26       102  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           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
                           cos         90        19        27       104  1.4444E-01    0.000000    3.000000    0.500000    1.000000
                           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
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                           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
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                           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
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                           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
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                           cos         88        18        45       168  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos         28        20        50       144  1.4444E-01    0.000000    3.000000    0.500000    1.000000
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                           cos        140        51        54       162  0.0000E+00    0.000000    2.000000    0.000000    0.000000
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                           cos         54        51       150       139  0.0000E+00    0.000000    3.000000    0.500000    1.000000
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                           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
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                           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
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                           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                  2


 name of species:             spc water                               

 number of molecules                  1223

 number of atoms/sites                   3


 atomic characteristics:

                      site     name          mass        charge    repeat    freeze

                       170     OW          15.99960    -0.82000         1         0
                       171     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

  *** warning - total system charge:    1.000000 ***


 number of specified pair potentials        66


                atom 1  atom 2      key                              parameters


                C       C         lj       1.20000E-01  3.29630E+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
                CT      CT        lj       6.00000E-02  3.20720E+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
                H       H         lj       2.00000E-02  1.78180E+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
                HC      HC        lj       3.80000E-02  2.77400E+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
                K       K         lj       3.24000E-01  3.13000E+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
                N       N         lj       1.60000E-01  3.11810E+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
                O       O         lj       2.00000E-01  2.85090E+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
                Oe      Oe        lj       2.00000E-01  2.85090E+00
                Oe      OS        lj       1.73210E-01  2.89540E+00
                OS      OS        lj       1.50000E-01  2.94000E+00
                OS      OW        lj       1.53000E-01  3.05250E+00
                OW      OW        lj       1.56000E-01  3.16600E+00
                HW      HW        hbnd     0.00000E+00  0.00000E+00
                HW      OW        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

 configuration file name: 

          DL_POLY BENCHMARK 6: VALINOMYCIN + K + 1223 SPC WATER MOLECULES                 


 selected image convention               4


 simulation cell vectors


                        45.000000    0.000000    0.000000
                         0.000000   45.000000    0.000000
                         0.000000    0.000000   45.000000


 system volume            45562.5000000    

 shared atoms from passcon                      44


 total degrees of freedom                      7674.
 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 -4.6970E+00  1.2740E+00 -4.7221E+00  6.7982E+00  6.8922E-01 -6.0424E-01
    193 -4.1516E-01 -1.0444E+01  1.3398E+01 -2.2559E+01 -3.7779E+01 -5.7951E+00
    385  2.3558E+00 -3.7273E+00  8.8535E+00  2.3771E+01  1.0917E+01 -7.2184E+00
    577 -1.3952E+01  6.2015E-01 -1.5124E+01 -7.6649E+00  7.5657E+00  6.7812E+00
    769 -1.6559E+01 -8.0081E+00 -8.8980E-01  4.9028E-01  9.3831E+00  1.1281E+01
    961 -8.9545E+00 -1.5187E+00  5.0944E+00  1.4715E+01 -6.1158E+00  6.4825E+00
   1153 -9.9912E+00 -5.4772E+00 -2.0277E+00 -5.4430E+00  2.7834E-01 -2.9109E+00
   1345  9.9020E+00 -1.9444E+01 -1.5006E+00 -2.0970E+01  9.7539E+00  4.9489E+00
   1537  2.1655E+01  7.2071E+00 -2.0373E+00  2.2010E+00  2.7278E+01 -2.1895E+01
   1729  9.6908E+00 -1.0246E+01  4.6819E+00 -7.8203E+00 -7.4336E+00 -6.3919E+00
   1921 -9.5103E-01  1.4193E+01 -6.8544E+00  8.9470E-01  2.1833E+01  8.5546E+00
   2113  8.4712E+00  4.5924E-01  4.4927E+00 -4.8946E+00  1.2030E+01 -9.8930E+00
   2305 -1.1704E+01  1.0947E+01  7.4707E+00  1.9513E+01  3.4532E+00 -1.9674E+01
   2497  8.2221E+00 -4.8170E+00 -1.0357E+01 -7.2826E+00  8.6902E+00 -1.7498E+00
   2689  1.5114E+01 -1.1895E+01  6.1132E+00  2.8573E-01  2.1493E+00  2.9518E+00
   2881 -5.9472E+00  4.3497E+00 -1.6503E+01  9.5114E+00 -2.5669E+00 -7.7903E+00
   3073  1.5169E+01 -3.9635E+00 -1.2519E+01  6.8296E+00 -1.1720E+01 -2.8705E+01
   3265  6.7188E+00 -4.8186E+00 -1.5255E+01  1.7289E+00 -1.0688E+01  1.0563E+01
   3457 -5.4999E+00  1.4048E+01 -2.7147E+00 -8.0513E+00 -8.7301E+00 -1.1379E+01
   3649  4.7596E+00  2.0744E+01 -6.4312E+00  1.6338E+01 -1.0285E+00 -1.7012E+01


long range correction for: vdw energy    -0.496090E+02
                         : vdw pressure  -0.149267E+00

 time elapsed since job start =          10.458 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 -9.0955E+03  3.0846E+02 -1.1447E+04  1.7123E+03 -1.3249E+04  0.0000E+00  7.1629E+01  1.7479E+01  0.0000E+00
   1.000f -1.0581E+04  0.0000E+00  9.1593E+03 -4.5249E+04  1.3250E+04  0.0000E+00  0.0000E+00  4.1158E+04  0.0000E+00
  10.560s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -2.2350E+00

  rolling -9.0955E+03  3.0846E+02 -1.1447E+04  1.7123E+03 -1.3249E+04  0.0000E+00  7.1629E+01  1.7479E+01  0.0000E+00
 averages -1.0581E+04  0.0000E+00  9.1593E+03 -4.5249E+04  1.3250E+04  0.0000E+00  0.0000E+00  4.1158E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -2.2350E+00
 ------------------------------------------------------------------------------------------------------------------------
       10 -9.0955E+03  3.0314E+02 -1.1407E+04  1.7149E+03 -1.3208E+04  0.0000E+00  7.0391E+01  1.6258E+01  0.0000E+00
  10.000f -1.0171E+04  0.0000E+00  7.8507E+03 -4.5264E+04  1.3209E+04  0.0000E+00  0.0000E+00  3.9906E+04  0.0000E+00
  11.300s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6192E+00

  rolling -9.0954E+03  3.0422E+02 -1.1415E+04  1.7131E+03 -1.3218E+04  0.0000E+00  7.4127E+01  1.6073E+01  0.0000E+00
 averages -1.0192E+04  0.0000E+00  7.9299E+03 -4.5249E+04  1.3219E+04  0.0000E+00  0.0000E+00  3.9960E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6507E+00
 ------------------------------------------------------------------------------------------------------------------------
       20 -9.0959E+03  3.1420E+02 -1.1492E+04  1.7248E+03 -1.3303E+04  0.0000E+00  6.8040E+01  1.8567E+01  0.0000E+00
  20.000f -1.0227E+04  0.0000E+00  8.1855E+03 -4.5398E+04  1.3304E+04  0.0000E+00  0.0000E+00  4.0280E+04  0.0000E+00
  12.131s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7026E+00

  rolling -9.0955E+03  3.0644E+02 -1.1432E+04  1.7180E+03 -1.3240E+04  0.0000E+00  7.3201E+01  1.7109E+01  0.0000E+00
 averages -1.0185E+04  0.0000E+00  7.9408E+03 -4.5310E+04  1.3241E+04  0.0000E+00  0.0000E+00  4.0010E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6392E+00
 ------------------------------------------------------------------------------------------------------------------------
       30 -9.0956E+03  3.1184E+02 -1.1473E+04  1.7045E+03 -1.3265E+04  0.0000E+00  7.0869E+01  1.6601E+01  0.0000E+00
  30.000f -1.0315E+04  0.0000E+00  8.4141E+03 -4.5135E+04  1.3265E+04  0.0000E+00  0.0000E+00  4.0284E+04  0.0000E+00
  12.966s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8353E+00

  rolling -9.0956E+03  3.0856E+02 -1.1448E+04  1.7175E+03 -1.3256E+04  0.0000E+00  7.3453E+01  1.7291E+01  0.0000E+00
 averages -1.0218E+04  0.0000E+00  8.0718E+03 -4.5303E+04  1.3257E+04  0.0000E+00  0.0000E+00  4.0117E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6887E+00
 ------------------------------------------------------------------------------------------------------------------------
       40 -9.0956E+03  3.0833E+02 -1.1446E+04  1.6952E+03 -1.3229E+04  0.0000E+00  7.0491E+01  1.6736E+01  0.0000E+00
  40.000f -1.0033E+04  0.0000E+00  7.5141E+03 -4.5056E+04  1.3230E+04  0.0000E+00  0.0000E+00  3.9341E+04  0.0000E+00
  13.817s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4107E+00

  rolling -9.0955E+03  3.0878E+02 -1.1450E+04  1.7124E+03 -1.3254E+04  0.0000E+00  7.4680E+01  1.7111E+01  0.0000E+00
 averages -1.0204E+04  0.0000E+00  8.0354E+03 -4.5243E+04  1.3255E+04  0.0000E+00  0.0000E+00  4.0024E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6687E+00
 ------------------------------------------------------------------------------------------------------------------------
       50 -9.0953E+03  3.0353E+02 -1.1410E+04  1.7188E+03 -1.3216E+04  0.0000E+00  6.8892E+01  1.8763E+01  0.0000E+00
  50.000f -9.9416E+03  0.0000E+00  7.1684E+03 -4.5377E+04  1.3215E+04  0.0000E+00  0.0000E+00  3.9330E+04  0.0000E+00
  14.673s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2740E+00

  rolling -9.0955E+03  3.0787E+02 -1.1443E+04  1.7112E+03 -1.3245E+04  0.0000E+00  7.3551E+01  1.7280E+01  0.0000E+00
 averages -1.0153E+04  0.0000E+00  7.8691E+03 -4.5236E+04  1.3245E+04  0.0000E+00  0.0000E+00  3.9860E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5923E+00
 ------------------------------------------------------------------------------------------------------------------------
       60 -9.0955E+03  3.1166E+02 -1.1472E+04  1.7755E+03 -1.3331E+04  0.0000E+00  6.4875E+01  1.8523E+01  0.0000E+00
  60.000f -9.8061E+03  0.0000E+00  6.8854E+03 -4.6154E+04  1.3330E+04  0.0000E+00  0.0000E+00  3.9710E+04  0.0000E+00
  15.501s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0698E+00

  rolling -9.0955E+03  3.0800E+02 -1.1444E+04  1.7176E+03 -1.3251E+04  0.0000E+00  7.2362E+01  1.7453E+01  0.0000E+00
 averages -1.0111E+04  0.0000E+00  7.7446E+03 -4.5330E+04  1.3252E+04  0.0000E+00  0.0000E+00  3.9823E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5288E+00
 ------------------------------------------------------------------------------------------------------------------------
       70 -9.0953E+03  3.0632E+02 -1.1431E+04  1.7998E+03 -1.3324E+04  0.0000E+00  7.0768E+01  2.2333E+01  0.0000E+00
  70.000f -9.7751E+03  0.0000E+00  6.7117E+03 -4.6494E+04  1.3324E+04  0.0000E+00  0.0000E+00  3.9882E+04  0.0000E+00
  16.353s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0235E+00

  rolling -9.0955E+03  3.0810E+02 -1.1445E+04  1.7284E+03 -1.3262E+04  0.0000E+00  7.1548E+01  1.7957E+01  0.0000E+00
 averages -1.0058E+04  0.0000E+00  7.5877E+03 -4.5482E+04  1.3263E+04  0.0000E+00  0.0000E+00  3.9807E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4494E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.0897E+02 -1.1451E+04  1.8032E+03 -1.3337E+04  0.0000E+00  6.3811E+01  1.8638E+01  0.0000E+00
  80.000f -9.7922E+03  0.0000E+00  6.8027E+03 -4.6560E+04  1.3337E+04  0.0000E+00  0.0000E+00  4.0026E+04  0.0000E+00
  17.195s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0489E+00

  rolling -9.0955E+03  3.0816E+02 -1.1445E+04  1.7374E+03 -1.3272E+04  0.0000E+00  7.0955E+01  1.8242E+01  0.0000E+00
 averages -1.0029E+04  0.0000E+00  7.5017E+03 -4.5612E+04  1.3272E+04  0.0000E+00  0.0000E+00  3.9842E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4057E+00
 ------------------------------------------------------------------------------------------------------------------------
       90 -9.0953E+03  3.0170E+02 -1.1395E+04  1.7952E+03 -1.3277E+04  0.0000E+00  6.7268E+01  1.9168E+01  0.0000E+00
  90.000f -9.6954E+03  0.0000E+00  6.4025E+03 -4.6485E+04  1.3277E+04  0.0000E+00  0.0000E+00  3.9611E+04  0.0000E+00
  18.018s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.0379E-01

  rolling -9.0955E+03  3.0773E+02 -1.1442E+04  1.7443E+03 -1.3275E+04  0.0000E+00  7.0418E+01  1.8338E+01  0.0000E+00
 averages -9.9948E+03  0.0000E+00  7.3914E+03 -4.5713E+04  1.3275E+04  0.0000E+00  0.0000E+00  3.9830E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3537E+00
 ------------------------------------------------------------------------------------------------------------------------
      100 -9.0955E+03  3.0682E+02 -1.1434E+04  1.8001E+03 -1.3323E+04  0.0000E+00  7.1522E+01  1.6949E+01  0.0000E+00
 100.000f -9.7646E+03  0.0000E+00  6.6882E+03 -4.6549E+04  1.3324E+04  0.0000E+00  0.0000E+00  3.9914E+04  0.0000E+00
  18.868s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0079E+00

  rolling -9.0955E+03  3.0744E+02 -1.1439E+04  1.7494E+03 -1.3277E+04  0.0000E+00  7.0122E+01  1.8249E+01  0.0000E+00
 averages -9.9708E+03  0.0000E+00  7.3151E+03 -4.5791E+04  1.3277E+04  0.0000E+00  0.0000E+00  3.9829E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3177E+00
 ------------------------------------------------------------------------------------------------------------------------
      110 -9.0955E+03  3.0896E+02 -1.1451E+04  1.8053E+03 -1.3350E+04  0.0000E+00  7.0789E+01  2.3256E+01  0.0000E+00
 110.000f -9.7279E+03  0.0000E+00  6.6111E+03 -4.6640E+04  1.3350E+04  0.0000E+00  0.0000E+00  3.9900E+04  0.0000E+00
  19.719s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.5289E-01

  rolling -9.0955E+03  3.0789E+02 -1.1443E+04  1.7584E+03 -1.3289E+04  0.0000E+00  6.9490E+01  1.8711E+01  0.0000E+00
 averages -9.9256E+03  0.0000E+00  7.1865E+03 -4.5926E+04  1.3290E+04  0.0000E+00  0.0000E+00  3.9823E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2497E+00
 ------------------------------------------------------------------------------------------------------------------------
      120 -9.0952E+03  3.0594E+02 -1.1427E+04  1.7933E+03 -1.3318E+04  0.0000E+00  7.8959E+01  1.9110E+01  0.0000E+00
 120.000f -9.7851E+03  0.0000E+00  6.7381E+03 -4.6481E+04  1.3317E+04  0.0000E+00  0.0000E+00  3.9902E+04  0.0000E+00
  20.567s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0396E+00

  rolling -9.0955E+03  3.0782E+02 -1.1442E+04  1.7659E+03 -1.3297E+04  0.0000E+00  6.9541E+01  1.9047E+01  0.0000E+00
 averages -9.8831E+03  0.0000E+00  7.0583E+03 -4.6043E+04  1.3297E+04  0.0000E+00  0.0000E+00  3.9805E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1859E+00
 ------------------------------------------------------------------------------------------------------------------------
      130 -9.0953E+03  3.0829E+02 -1.1445E+04  1.7819E+03 -1.3324E+04  0.0000E+00  7.7069E+01  2.0391E+01  0.0000E+00
 130.000f -9.9154E+03  0.0000E+00  7.1652E+03 -4.6350E+04  1.3323E+04  0.0000E+00  0.0000E+00  4.0192E+04  0.0000E+00
  21.423s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2359E+00

  rolling -9.0955E+03  3.0728E+02 -1.1438E+04  1.7728E+03 -1.3299E+04  0.0000E+00  6.9483E+01  1.9166E+01  0.0000E+00
 averages -9.8423E+03  0.0000E+00  6.9280E+03 -4.6153E+04  1.3299E+04  0.0000E+00  0.0000E+00  3.9782E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1247E+00
 ------------------------------------------------------------------------------------------------------------------------
      140 -9.0955E+03  3.1350E+02 -1.1485E+04  1.7989E+03 -1.3376E+04  0.0000E+00  7.5542E+01  1.6971E+01  0.0000E+00
 140.000f -9.8418E+03  0.0000E+00  7.0237E+03 -4.6578E+04  1.3376E+04  0.0000E+00  0.0000E+00  4.0225E+04  0.0000E+00
  22.263s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1251E+00

  rolling -9.0955E+03  3.0755E+02 -1.1440E+04  1.7819E+03 -1.3310E+04  0.0000E+00  6.8963E+01  1.9419E+01  0.0000E+00
 averages -9.8170E+03  0.0000E+00  6.8563E+03 -4.6291E+04  1.3310E+04  0.0000E+00  0.0000E+00  3.9837E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0867E+00
 ------------------------------------------------------------------------------------------------------------------------
      150 -9.0955E+03  3.1004E+02 -1.1458E+04  1.8289E+03 -1.3381E+04  0.0000E+00  7.6713E+01  1.7531E+01  0.0000E+00
 150.000f -9.6905E+03  0.0000E+00  6.5177E+03 -4.6974E+04  1.3381E+04  0.0000E+00  0.0000E+00  4.0111E+04  0.0000E+00
  23.101s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.9772E-01

  rolling -9.0955E+03  3.0834E+02 -1.1446E+04  1.7928E+03 -1.3328E+04  0.0000E+00  6.9666E+01  1.9243E+01  0.0000E+00
 averages -9.7975E+03  0.0000E+00  6.8103E+03 -4.6448E+04  1.3328E+04  0.0000E+00  0.0000E+00  3.9931E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0575E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.0797E+02 -1.1442E+04  1.8421E+03 -1.3371E+04  0.0000E+00  6.9256E+01  1.7708E+01  0.0000E+00
 160.000f -9.5786E+03  0.0000E+00  6.1507E+03 -4.7165E+04  1.3372E+04  0.0000E+00  0.0000E+00  3.9944E+04  0.0000E+00
  23.937s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.2953E-01

  rolling -9.0955E+03  3.0833E+02 -1.1446E+04  1.8013E+03 -1.3337E+04  0.0000E+00  7.0334E+01  1.9263E+01  0.0000E+00
 averages -9.7711E+03  0.0000E+00  6.7313E+03 -4.6576E+04  1.3337E+04  0.0000E+00  0.0000E+00  3.9970E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0180E+00
 ------------------------------------------------------------------------------------------------------------------------
      170 -9.0956E+03  3.1007E+02 -1.1458E+04  1.8578E+03 -1.3402E+04  0.0000E+00  6.7573E+01  1.9049E+01  0.0000E+00
 170.000f -9.5433E+03  0.0000E+00  6.0771E+03 -4.7368E+04  1.3402E+04  0.0000E+00  0.0000E+00  4.0043E+04  0.0000E+00
  24.787s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.7652E-01

  rolling -9.0955E+03  3.0832E+02 -1.1445E+04  1.8073E+03 -1.3342E+04  0.0000E+00  7.0714E+01  1.8972E+01  0.0000E+00
 averages -9.7495E+03  0.0000E+00  6.6670E+03 -4.6667E+04  1.3343E+04  0.0000E+00  0.0000E+00  3.9991E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.8579E-01
 ------------------------------------------------------------------------------------------------------------------------
      180 -9.0956E+03  3.0881E+02 -1.1448E+04  1.8712E+03 -1.3408E+04  0.0000E+00  7.1489E+01  1.6844E+01  0.0000E+00
 180.000f -9.5402E+03  0.0000E+00  6.0492E+03 -4.7541E+04  1.3407E+04  0.0000E+00  0.0000E+00  4.0183E+04  0.0000E+00
  25.638s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.7217E-01

  rolling -9.0955E+03  3.0834E+02 -1.1445E+04  1.8139E+03 -1.3350E+04  0.0000E+00  7.1409E+01  1.8803E+01  0.0000E+00
 averages -9.7226E+03  0.0000E+00  6.5869E+03 -4.6763E+04  1.3350E+04  0.0000E+00  0.0000E+00  4.0000E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.4545E-01
 ------------------------------------------------------------------------------------------------------------------------
      190 -9.0957E+03  3.1096E+02 -1.1464E+04  1.8632E+03 -1.3413E+04  0.0000E+00  7.0743E+01  1.4152E+01  0.0000E+00
 190.000f -9.5686E+03  0.0000E+00  6.1676E+03 -4.7439E+04  1.3413E+04  0.0000E+00  0.0000E+00  4.0193E+04  0.0000E+00
  26.486s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.1511E-01

  rolling -9.0955E+03  3.0883E+02 -1.1449E+04  1.8211E+03 -1.3360E+04  0.0000E+00  7.1887E+01  1.8350E+01  0.0000E+00
 averages -9.7033E+03  0.0000E+00  6.5369E+03 -4.6864E+04  1.3360E+04  0.0000E+00  0.0000E+00  4.0041E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.1662E-01
 ------------------------------------------------------------------------------------------------------------------------
      200 -9.0957E+03  3.1240E+02 -1.1475E+04  1.8405E+03 -1.3413E+04  0.0000E+00  7.9514E+01  1.7376E+01  0.0000E+00
 200.000f -9.7681E+03  0.0000E+00  6.7886E+03 -4.7121E+04  1.3414E+04  0.0000E+00  0.0000E+00  4.0496E+04  0.0000E+00
  27.306s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0156E+00

  rolling -9.0955E+03  3.0963E+02 -1.1455E+04  1.8264E+03 -1.3372E+04  0.0000E+00  7.2834E+01  1.8221E+01  0.0000E+00
 averages -9.6986E+03  0.0000E+00  6.5355E+03 -4.6938E+04  1.3372E+04  0.0000E+00  0.0000E+00  4.0102E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.0982E-01
 ------------------------------------------------------------------------------------------------------------------------
      210 -9.0956E+03  3.1226E+02 -1.1474E+04  1.8508E+03 -1.3412E+04  0.0000E+00  7.1081E+01  1.6330E+01  0.0000E+00
 210.000f -9.6419E+03  0.0000E+00  6.4086E+03 -4.7245E+04  1.3412E+04  0.0000E+00  0.0000E+00  4.0242E+04  0.0000E+00
  28.124s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.2602E-01

  rolling -9.0955E+03  3.0993E+02 -1.1457E+04  1.8306E+03 -1.3379E+04  0.0000E+00  7.3128E+01  1.7862E+01  0.0000E+00
 averages -9.6927E+03  0.0000E+00  6.5231E+03 -4.6996E+04  1.3379E+04  0.0000E+00  0.0000E+00  4.0141E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.0128E-01
 ------------------------------------------------------------------------------------------------------------------------
      220 -9.0958E+03  3.1949E+02 -1.1529E+04  1.8532E+03 -1.3476E+04  0.0000E+00  7.6666E+01  1.7007E+01  0.0000E+00
 220.000f -9.8024E+03  0.0000E+00  7.0004E+03 -4.7257E+04  1.3478E+04  0.0000E+00  0.0000E+00  4.0780E+04  0.0000E+00
  28.967s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0676E+00

  rolling -9.0956E+03  3.1076E+02 -1.1463E+04  1.8359E+03 -1.3390E+04  0.0000E+00  7.3676E+01  1.7338E+01  0.0000E+00
 averages -9.6914E+03  0.0000E+00  6.5322E+03 -4.7065E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0207E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.9949E-01
 ------------------------------------------------------------------------------------------------------------------------
      230 -9.0957E+03  3.1629E+02 -1.1505E+04  1.8718E+03 -1.3459E+04  0.0000E+00  6.4858E+01  1.7438E+01  0.0000E+00
 230.000f -9.5106E+03  0.0000E+00  6.0768E+03 -4.7506E+04  1.3461E+04  0.0000E+00  0.0000E+00  4.0123E+04  0.0000E+00
  29.829s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.2877E-01

  rolling -9.0956E+03  3.1186E+02 -1.1471E+04  1.8439E+03 -1.3406E+04  0.0000E+00  7.3344E+01  1.7223E+01  0.0000E+00
 averages -9.6695E+03  0.0000E+00  6.4837E+03 -4.7169E+04  1.3406E+04  0.0000E+00  0.0000E+00  4.0247E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.6677E-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

 ------------------------------------------------------------------------------------------------------------------------
      240 -9.0956E+03  3.1366E+02 -1.1484E+04  1.8517E+03 -1.3421E+04  0.0000E+00  7.0502E+01  1.4155E+01  0.0000E+00
 240.000f -9.5045E+03  0.0000E+00  6.0187E+03 -4.7252E+04  1.3421E+04  0.0000E+00  0.0000E+00  3.9850E+04  0.0000E+00
  30.672s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.1977E-01

  rolling -9.0956E+03  3.1205E+02 -1.1473E+04  1.8512E+03 -1.3414E+04  0.0000E+00  7.2784E+01  1.6856E+01  0.0000E+00
 averages -9.6259E+03  0.0000E+00  6.3562E+03 -4.7263E+04  1.3414E+04  0.0000E+00  0.0000E+00  4.0205E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.0136E-01
 ------------------------------------------------------------------------------------------------------------------------
      250 -9.0956E+03  3.1859E+02 -1.1522E+04  1.8385E+03 -1.3445E+04  0.0000E+00  6.9460E+01  1.5416E+01  0.0000E+00
 250.000f -9.6029E+03  0.0000E+00  6.3891E+03 -4.7075E+04  1.3444E+04  0.0000E+00  0.0000E+00  4.0020E+04  0.0000E+00
  31.520s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.6789E-01

  rolling -9.0956E+03  3.1246E+02 -1.1476E+04  1.8541E+03 -1.3419E+04  0.0000E+00  7.2518E+01  1.6703E+01  0.0000E+00
 averages -9.6063E+03  0.0000E+00  6.3042E+03 -4.7299E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0184E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.7214E-01
 ------------------------------------------------------------------------------------------------------------------------
      260 -9.0955E+03  3.1461E+02 -1.1491E+04  1.8240E+03 -1.3408E+04  0.0000E+00  7.5004E+01  1.7856E+01  0.0000E+00
 260.000f -9.7088E+03  0.0000E+00  6.6466E+03 -4.6880E+04  1.3407E+04  0.0000E+00  0.0000E+00  4.0120E+04  0.0000E+00
  32.367s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.2745E-01

  rolling -9.0956E+03  3.1327E+02 -1.1482E+04  1.8537E+03 -1.3424E+04  0.0000E+00  7.2539E+01  1.6550E+01  0.0000E+00
 averages -9.6088E+03  0.0000E+00  6.3243E+03 -4.7289E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0189E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.7605E-01
 ------------------------------------------------------------------------------------------------------------------------
      270 -9.0955E+03  3.1371E+02 -1.1485E+04  1.8328E+03 -1.3403E+04  0.0000E+00  6.5475E+01  2.0222E+01  0.0000E+00
 270.000f -9.6399E+03  0.0000E+00  6.4260E+03 -4.7000E+04  1.3402E+04  0.0000E+00  0.0000E+00  4.0023E+04  0.0000E+00
  33.209s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.2367E-01

  rolling -9.0956E+03  3.1377E+02 -1.1485E+04  1.8510E+03 -1.3425E+04  0.0000E+00  7.2322E+01  1.6649E+01  0.0000E+00
 averages -9.6254E+03  0.0000E+00  6.3822E+03 -4.7249E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0206E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.0128E-01
 ------------------------------------------------------------------------------------------------------------------------
      280 -9.0955E+03  3.1501E+02 -1.1495E+04  1.8530E+03 -1.3438E+04  0.0000E+00  7.1699E+01  1.9184E+01  0.0000E+00
 280.000f -9.6866E+03  0.0000E+00  6.5859E+03 -4.7265E+04  1.3438E+04  0.0000E+00  0.0000E+00  4.0413E+04  0.0000E+00
  34.040s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.9392E-01

  rolling -9.0956E+03  3.1435E+02 -1.1490E+04  1.8490E+03 -1.3427E+04  0.0000E+00  7.1773E+01  1.6789E+01  0.0000E+00
 averages -9.6343E+03  0.0000E+00  6.4183E+03 -4.7219E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0210E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.1486E-01
 ------------------------------------------------------------------------------------------------------------------------
      290 -9.0953E+03  3.1027E+02 -1.1458E+04  1.8759E+03 -1.3427E+04  0.0000E+00  7.5233E+01  1.7526E+01  0.0000E+00
 290.000f -9.6007E+03  0.0000E+00  6.2562E+03 -4.7564E+04  1.3424E+04  0.0000E+00  0.0000E+00  4.0396E+04  0.0000E+00
  34.864s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.6478E-01

  rolling -9.0956E+03  3.1472E+02 -1.1493E+04  1.8482E+03 -1.3430E+04  0.0000E+00  7.2188E+01  1.7144E+01  0.0000E+00
 averages -9.6486E+03  0.0000E+00  6.4668E+03 -4.7205E+04  1.3430E+04  0.0000E+00  0.0000E+00  4.0242E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.3644E-01
 ------------------------------------------------------------------------------------------------------------------------
      300 -9.0953E+03  3.1047E+02 -1.1460E+04  1.8839E+03 -1.3432E+04  0.0000E+00  7.1552E+01  1.6677E+01  0.0000E+00
 300.000f -9.5210E+03  0.0000E+00  6.0198E+03 -4.7666E+04  1.3430E+04  0.0000E+00  0.0000E+00  4.0256E+04  0.0000E+00
  35.706s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.4475E-01

  rolling -9.0955E+03  3.1440E+02 -1.1490E+04  1.8517E+03 -1.3430E+04  0.0000E+00  7.1440E+01  1.7230E+01  0.0000E+00
 averages -9.6307E+03  0.0000E+00  6.4084E+03 -4.7248E+04  1.3430E+04  0.0000E+00  0.0000E+00  4.0226E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.0957E-01
 ------------------------------------------------------------------------------------------------------------------------
      310 -9.0955E+03  3.1801E+02 -1.1518E+04  1.8629E+03 -1.3472E+04  0.0000E+00  7.4172E+01  1.6918E+01  0.0000E+00
 310.000f -9.6003E+03  0.0000E+00  6.3718E+03 -4.7382E+04  1.3470E+04  0.0000E+00  0.0000E+00  4.0283E+04  0.0000E+00
  36.559s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.6359E-01

  rolling -9.0955E+03  3.1477E+02 -1.1493E+04  1.8545E+03 -1.3436E+04  0.0000E+00  7.1698E+01  1.7177E+01  0.0000E+00
 averages -9.6206E+03  0.0000E+00  6.3839E+03 -4.7282E+04  1.3435E+04  0.0000E+00  0.0000E+00  4.0230E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.9448E-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

 ------------------------------------------------------------------------------------------------------------------------
      320 -9.0953E+03  3.1119E+02 -1.1466E+04  1.8296E+03 -1.3386E+04  0.0000E+00  7.4978E+01  1.5958E+01  0.0000E+00
 320.000f -9.6692E+03  0.0000E+00  6.4745E+03 -4.6940E+04  1.3385E+04  0.0000E+00  0.0000E+00  4.0029E+04  0.0000E+00
  37.394s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.6730E-01

  rolling -9.0955E+03  3.1471E+02 -1.1492E+04  1.8539E+03 -1.3434E+04  0.0000E+00  7.0627E+01  1.7190E+01  0.0000E+00
 averages -9.6110E+03  0.0000E+00  6.3542E+03 -4.7272E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0193E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.8002E-01
 ------------------------------------------------------------------------------------------------------------------------
      330 -9.0955E+03  3.1481E+02 -1.1494E+04  1.8000E+03 -1.3377E+04  0.0000E+00  6.8742E+01  1.4194E+01  0.0000E+00
 330.000f -9.8487E+03  0.0000E+00  7.0670E+03 -4.6532E+04  1.3375E+04  0.0000E+00  0.0000E+00  4.0224E+04  0.0000E+00
  38.226s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1368E+00

  rolling -9.0955E+03  3.1410E+02 -1.1488E+04  1.8485E+03 -1.3424E+04  0.0000E+00  7.0867E+01  1.6894E+01  0.0000E+00
 averages -9.6225E+03  0.0000E+00  6.3792E+03 -4.7201E+04  1.3423E+04  0.0000E+00  0.0000E+00  4.0157E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.9726E-01
 ------------------------------------------------------------------------------------------------------------------------
      340 -9.0954E+03  3.1234E+02 -1.1475E+04  1.7773E+03 -1.3338E+04  0.0000E+00  6.9543E+01  1.6204E+01  0.0000E+00
 340.000f -9.9074E+03  0.0000E+00  7.2053E+03 -4.6209E+04  1.3338E+04  0.0000E+00  0.0000E+00  4.0076E+04  0.0000E+00
  39.062s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2251E+00

  rolling -9.0955E+03  3.1407E+02 -1.1488E+04  1.8412E+03 -1.3417E+04  0.0000E+00  7.1280E+01  1.6913E+01  0.0000E+00
 averages -9.6602E+03  0.0000E+00  6.4917E+03 -4.7099E+04  1.3416E+04  0.0000E+00  0.0000E+00  4.0175E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.5389E-01
 ------------------------------------------------------------------------------------------------------------------------
      350 -9.0953E+03  3.0939E+02 -1.1452E+04  1.7783E+03 -1.3328E+04  0.0000E+00  8.0595E+01  1.6409E+01  0.0000E+00
 350.000f -9.9711E+03  0.0000E+00  7.3511E+03 -4.6207E+04  1.3326E+04  0.0000E+00  0.0000E+00  4.0232E+04  0.0000E+00
  39.911s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3208E+00

  rolling -9.0954E+03  3.1352E+02 -1.1483E+04  1.8341E+03 -1.3406E+04  0.0000E+00  7.1213E+01  1.7083E+01  0.0000E+00
 averages -9.7019E+03  0.0000E+00  6.6082E+03 -4.6999E+04  1.3404E+04  0.0000E+00  0.0000E+00  4.0203E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.1654E-01
 ------------------------------------------------------------------------------------------------------------------------
      360 -9.0955E+03  3.1282E+02 -1.1479E+04  1.8071E+03 -1.3378E+04  0.0000E+00  7.6599E+01  1.5631E+01  0.0000E+00
 360.000f -9.8650E+03  0.0000E+00  7.0839E+03 -4.6566E+04  1.3377E+04  0.0000E+00  0.0000E+00  4.0272E+04  0.0000E+00
  40.736s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1605E+00

  rolling -9.0954E+03  3.1295E+02 -1.1479E+04  1.8305E+03 -1.3398E+04  0.0000E+00  7.1816E+01  1.6980E+01  0.0000E+00
 averages -9.7262E+03  0.0000E+00  6.6721E+03 -4.6943E+04  1.3397E+04  0.0000E+00  0.0000E+00  4.0218E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.5295E-01
 ------------------------------------------------------------------------------------------------------------------------
      370 -9.0955E+03  3.1357E+02 -1.1485E+04  1.8117E+03 -1.3391E+04  0.0000E+00  8.1479E+01  1.3121E+01  0.0000E+00
 370.000f -9.9838E+03  0.0000E+00  7.4513E+03 -4.6601E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0662E+04  0.0000E+00
  41.580s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3390E+00

  rolling -9.0954E+03  3.1287E+02 -1.1479E+04  1.8292E+03 -1.3398E+04  0.0000E+00  7.3354E+01  1.6524E+01  0.0000E+00
 averages -9.7479E+03  0.0000E+00  6.7358E+03 -4.6915E+04  1.3396E+04  0.0000E+00  0.0000E+00  4.0254E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.8547E-01
 ------------------------------------------------------------------------------------------------------------------------
      380 -9.0957E+03  3.1397E+02 -1.1488E+04  1.7947E+03 -1.3372E+04  0.0000E+00  7.5790E+01  1.3388E+01  0.0000E+00
 380.000f -1.0034E+04  0.0000E+00  7.6053E+03 -4.6389E+04  1.3373E+04  0.0000E+00  0.0000E+00  4.0621E+04  0.0000E+00
  42.418s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4133E+00

  rolling -9.0954E+03  3.1278E+02 -1.1478E+04  1.8247E+03 -1.3393E+04  0.0000E+00  7.4594E+01  1.5807E+01  0.0000E+00
 averages -9.7860E+03  0.0000E+00  6.8481E+03 -4.6844E+04  1.3392E+04  0.0000E+00  0.0000E+00  4.0300E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0425E+00
 ------------------------------------------------------------------------------------------------------------------------
      390 -9.0958E+03  3.1403E+02 -1.1489E+04  1.7675E+03 -1.3348E+04  0.0000E+00  7.4613E+01  1.6397E+01  0.0000E+00
 390.000f -1.0087E+04  0.0000E+00  7.7661E+03 -4.6028E+04  1.3350E+04  0.0000E+00  0.0000E+00  4.0444E+04  0.0000E+00
  43.260s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4935E+00

  rolling -9.0955E+03  3.1286E+02 -1.1479E+04  1.8165E+03 -1.3386E+04  0.0000E+00  7.4922E+01  1.5536E+01  0.0000E+00
 averages -9.8241E+03  0.0000E+00  6.9629E+03 -4.6725E+04  1.3385E+04  0.0000E+00  0.0000E+00  4.0303E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0995E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.1268E+02 -1.1479E+04  1.7460E+03 -1.3322E+04  0.0000E+00  7.8338E+01  1.8370E+01  0.0000E+00
 400.000f -9.9754E+03  0.0000E+00  7.4100E+03 -4.5763E+04  1.3323E+04  0.0000E+00  0.0000E+00  3.9851E+04  0.0000E+00
  44.099s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3252E+00

  rolling -9.0955E+03  3.1317E+02 -1.1482E+04  1.8037E+03 -1.3377E+04  0.0000E+00  7.5713E+01  1.5562E+01  0.0000E+00
 averages -9.8752E+03  0.0000E+00  7.1205E+03 -4.6547E+04  1.3376E+04  0.0000E+00  0.0000E+00  4.0292E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1762E+00
 ------------------------------------------------------------------------------------------------------------------------
      410 -9.0956E+03  3.1476E+02 -1.1495E+04  1.7190E+03 -1.3307E+04  0.0000E+00  7.4816E+01  1.8068E+01  0.0000E+00
 410.000f -1.0083E+04  0.0000E+00  7.7625E+03 -4.5422E+04  1.3309E+04  0.0000E+00  0.0000E+00  3.9876E+04  0.0000E+00
  44.947s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4861E+00

  rolling -9.0955E+03  3.1312E+02 -1.1481E+04  1.7894E+03 -1.3362E+04  0.0000E+00  7.5632E+01  1.5761E+01  0.0000E+00
 averages -9.9205E+03  0.0000E+00  7.2548E+03 -4.6351E+04  1.3362E+04  0.0000E+00  0.0000E+00  4.0243E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2439E+00
 ------------------------------------------------------------------------------------------------------------------------
      420 -9.0955E+03  3.1504E+02 -1.1498E+04  1.7224E+03 -1.3308E+04  0.0000E+00  7.1284E+01  1.6206E+01  0.0000E+00
 420.000f -1.0111E+04  0.0000E+00  7.8500E+03 -4.5473E+04  1.3309E+04  0.0000E+00  0.0000E+00  4.0014E+04  0.0000E+00
  45.796s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5279E+00

  rolling -9.0955E+03  3.1301E+02 -1.1481E+04  1.7766E+03 -1.3349E+04  0.0000E+00  7.6025E+01  1.5791E+01  0.0000E+00
 averages -9.9670E+03  0.0000E+00  7.3921E+03 -4.6177E+04  1.3350E+04  0.0000E+00  0.0000E+00  4.0220E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3136E+00
 ------------------------------------------------------------------------------------------------------------------------
      430 -9.0956E+03  3.1556E+02 -1.1502E+04  1.7416E+03 -1.3342E+04  0.0000E+00  8.0242E+01  1.8273E+01  0.0000E+00
 430.000f -1.0055E+04  0.0000E+00  7.6892E+03 -4.5719E+04  1.3344E+04  0.0000E+00  0.0000E+00  4.0064E+04  0.0000E+00
  46.645s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4432E+00

  rolling -9.0956E+03  3.1343E+02 -1.1484E+04  1.7687E+03 -1.3345E+04  0.0000E+00  7.5980E+01  1.6056E+01  0.0000E+00
 averages -9.9977E+03  0.0000E+00  7.4895E+03 -4.6068E+04  1.3346E+04  0.0000E+00  0.0000E+00  4.0212E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3593E+00
 ------------------------------------------------------------------------------------------------------------------------
      440 -9.0956E+03  3.1577E+02 -1.1504E+04  1.7596E+03 -1.3352E+04  0.0000E+00  7.0340E+01  1.7718E+01  0.0000E+00
 440.000f -9.9873E+03  0.0000E+00  7.4883E+03 -4.5956E+04  1.3352E+04  0.0000E+00  0.0000E+00  4.0092E+04  0.0000E+00
  47.469s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3408E+00

  rolling -9.0956E+03  3.1360E+02 -1.1486E+04  1.7651E+03 -1.3344E+04  0.0000E+00  7.6353E+01  1.6268E+01  0.0000E+00
 averages -1.0016E+04  0.0000E+00  7.5468E+03 -4.6017E+04  1.3344E+04  0.0000E+00  0.0000E+00  4.0219E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3868E+00
 ------------------------------------------------------------------------------------------------------------------------
      450 -9.0955E+03  3.1196E+02 -1.1475E+04  1.7671E+03 -1.3335E+04  0.0000E+00  7.2130E+01  2.0504E+01  0.0000E+00
 450.000f -9.8353E+03  0.0000E+00  6.9736E+03 -4.6056E+04  1.3336E+04  0.0000E+00  0.0000E+00  3.9693E+04  0.0000E+00
  48.299s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1117E+00

  rolling -9.0956E+03  3.1388E+02 -1.1488E+04  1.7644E+03 -1.3345E+04  0.0000E+00  7.6124E+01  1.6556E+01  0.0000E+00
 averages -1.0007E+04  0.0000E+00  7.5225E+03 -4.6007E+04  1.3346E+04  0.0000E+00  0.0000E+00  4.0183E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3724E+00
 ------------------------------------------------------------------------------------------------------------------------
      460 -9.0955E+03  3.1575E+02 -1.1505E+04  1.7721E+03 -1.3369E+04  0.0000E+00  7.1295E+01  2.0726E+01  0.0000E+00
 460.000f -9.8983E+03  0.0000E+00  7.2189E+03 -4.6107E+04  1.3368E+04  0.0000E+00  0.0000E+00  3.9957E+04  0.0000E+00
  49.135s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2058E+00

  rolling -9.0956E+03  3.1412E+02 -1.1490E+04  1.7620E+03 -1.3345E+04  0.0000E+00  7.5481E+01  1.7036E+01  0.0000E+00
 averages -1.0003E+04  0.0000E+00  7.5134E+03 -4.5975E+04  1.3346E+04  0.0000E+00  0.0000E+00  4.0143E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3660E+00
 ------------------------------------------------------------------------------------------------------------------------
      470 -9.0956E+03  3.1760E+02 -1.1519E+04  1.7615E+03 -1.3370E+04  0.0000E+00  7.0269E+01  1.8451E+01  0.0000E+00
 470.000f -1.0035E+04  0.0000E+00  7.6560E+03 -4.5963E+04  1.3371E+04  0.0000E+00  0.0000E+00  4.0247E+04  0.0000E+00
  49.993s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4109E+00

  rolling -9.0956E+03  3.1455E+02 -1.1494E+04  1.7576E+03 -1.3343E+04  0.0000E+00  7.4062E+01  1.7564E+01  0.0000E+00
 averages -1.0008E+04  0.0000E+00  7.5335E+03 -4.5918E+04  1.3345E+04  0.0000E+00  0.0000E+00  4.0107E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3728E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.1783E+02 -1.1522E+04  1.7613E+03 -1.3374E+04  0.0000E+00  7.1436E+01  1.9092E+01  0.0000E+00
 480.000f -1.0117E+04  0.0000E+00  7.9023E+03 -4.5946E+04  1.3375E+04  0.0000E+00  0.0000E+00  4.0473E+04  0.0000E+00
  50.843s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5327E+00

  rolling -9.0956E+03  3.1488E+02 -1.1497E+04  1.7532E+03 -1.3342E+04  0.0000E+00  7.3826E+01  1.8138E+01  0.0000E+00
 averages -1.0015E+04  0.0000E+00  7.5596E+03 -4.5861E+04  1.3343E+04  0.0000E+00  0.0000E+00  4.0077E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3834E+00
 ------------------------------------------------------------------------------------------------------------------------
      490 -9.0956E+03  3.1229E+02 -1.1480E+04  1.7593E+03 -1.3323E+04  0.0000E+00  6.6194E+01  1.7747E+01  0.0000E+00
 490.000f -1.0029E+04  0.0000E+00  7.5546E+03 -4.5909E+04  1.3324E+04  0.0000E+00  0.0000E+00  4.0139E+04  0.0000E+00
  51.689s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4007E+00

  rolling -9.0956E+03  3.1495E+02 -1.1498E+04  1.7518E+03 -1.3341E+04  0.0000E+00  7.3155E+01  1.8500E+01  0.0000E+00
 averages -1.0014E+04  0.0000E+00  7.5556E+03 -4.5843E+04  1.3343E+04  0.0000E+00  0.0000E+00  4.0056E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3808E+00
 ------------------------------------------------------------------------------------------------------------------------
      500 -9.0956E+03  3.1203E+02 -1.1479E+04  1.7176E+03 -1.3289E+04  0.0000E+00  7.6244E+01  1.6744E+01  0.0000E+00
 500.000f -1.0159E+04  0.0000E+00  7.9387E+03 -4.5369E+04  1.3290E+04  0.0000E+00  0.0000E+00  4.0017E+04  0.0000E+00
  52.512s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5954E+00

  rolling -9.0956E+03  3.1474E+02 -1.1497E+04  1.7499E+03 -1.3338E+04  0.0000E+00  7.3222E+01  1.8427E+01  0.0000E+00
 averages -1.0019E+04  0.0000E+00  7.5658E+03 -4.5816E+04  1.3340E+04  0.0000E+00  0.0000E+00  4.0042E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3875E+00
 ------------------------------------------------------------------------------------------------------------------------
      510 -9.0955E+03  3.1089E+02 -1.1470E+04  1.6995E+03 -1.3252E+04  0.0000E+00  6.3891E+01  1.8511E+01  0.0000E+00
 510.000f -1.0104E+04  0.0000E+00  7.7531E+03 -4.5137E+04  1.3254E+04  0.0000E+00  0.0000E+00  3.9636E+04  0.0000E+00
  53.342s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5110E+00

  rolling -9.0955E+03  3.1442E+02 -1.1495E+04  1.7477E+03 -1.3334E+04  0.0000E+00  7.2886E+01  1.8408E+01  0.0000E+00
 averages -1.0028E+04  0.0000E+00  7.5871E+03 -4.5784E+04  1.3335E+04  0.0000E+00  0.0000E+00  4.0036E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4007E+00
 ------------------------------------------------------------------------------------------------------------------------
      520 -9.0954E+03  3.0681E+02 -1.1440E+04  1.6882E+03 -1.3216E+04  0.0000E+00  7.3035E+01  1.4946E+01  0.0000E+00
 520.000f -1.0128E+04  0.0000E+00  7.7629E+03 -4.4983E+04  1.3217E+04  0.0000E+00  0.0000E+00  3.9529E+04  0.0000E+00
  54.180s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5471E+00

  rolling -9.0955E+03  3.1384E+02 -1.1491E+04  1.7450E+03 -1.3327E+04  0.0000E+00  7.2382E+01  1.8365E+01  0.0000E+00
 averages -1.0030E+04  0.0000E+00  7.5827E+03 -4.5745E+04  1.3328E+04  0.0000E+00  0.0000E+00  4.0000E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4029E+00
 ------------------------------------------------------------------------------------------------------------------------
      530 -9.0955E+03  3.0965E+02 -1.1462E+04  1.6974E+03 -1.3246E+04  0.0000E+00  6.7576E+01  1.8467E+01  0.0000E+00
 530.000f -1.0065E+04  0.0000E+00  7.6135E+03 -4.5114E+04  1.3246E+04  0.0000E+00  0.0000E+00  3.9481E+04  0.0000E+00
  55.033s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4504E+00

  rolling -9.0955E+03  3.1303E+02 -1.1485E+04  1.7410E+03 -1.3317E+04  0.0000E+00  7.2219E+01  1.8294E+01  0.0000E+00
 averages -1.0031E+04  0.0000E+00  7.5728E+03 -4.5689E+04  1.3318E+04  0.0000E+00  0.0000E+00  3.9944E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4042E+00
 ------------------------------------------------------------------------------------------------------------------------
      540 -9.0955E+03  3.0662E+02 -1.1439E+04  1.7124E+03 -1.3244E+04  0.0000E+00  7.5108E+01  1.7063E+01  0.0000E+00
 540.000f -1.0080E+04  0.0000E+00  7.6100E+03 -4.5300E+04  1.3246E+04  0.0000E+00  0.0000E+00  3.9664E+04  0.0000E+00
  55.872s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4719E+00

  rolling -9.0955E+03  3.1235E+02 -1.1480E+04  1.7362E+03 -1.3307E+04  0.0000E+00  7.1685E+01  1.8303E+01  0.0000E+00
 averages -1.0035E+04  0.0000E+00  7.5727E+03 -4.5624E+04  1.3308E+04  0.0000E+00  0.0000E+00  3.9889E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4093E+00
 ------------------------------------------------------------------------------------------------------------------------
      550 -9.0955E+03  3.0615E+02 -1.1436E+04  1.7410E+03 -1.3276E+04  0.0000E+00  7.8218E+01  2.0469E+01  0.0000E+00
 550.000f -1.0020E+04  0.0000E+00  7.4237E+03 -4.5666E+04  1.3278E+04  0.0000E+00  0.0000E+00  3.9812E+04  0.0000E+00
  56.724s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3820E+00

  rolling -9.0955E+03  3.1159E+02 -1.1475E+04  1.7322E+03 -1.3298E+04  0.0000E+00  7.2349E+01  1.8234E+01  0.0000E+00
 averages -1.0053E+04  0.0000E+00  7.6138E+03 -4.5566E+04  1.3299E+04  0.0000E+00  0.0000E+00  3.9881E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4358E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.0927E+02 -1.1461E+04  1.7597E+03 -1.3311E+04  0.0000E+00  7.0489E+01  2.0114E+01  0.0000E+00
 560.000f -1.0077E+04  0.0000E+00  7.6395E+03 -4.5905E+04  1.3311E+04  0.0000E+00  0.0000E+00  4.0233E+04  0.0000E+00
  57.563s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4664E+00

  rolling -9.0955E+03  3.1108E+02 -1.1472E+04  1.7306E+03 -1.3293E+04  0.0000E+00  7.2203E+01  1.8249E+01  0.0000E+00
 averages -1.0069E+04  0.0000E+00  7.6527E+03 -4.5541E+04  1.3294E+04  0.0000E+00  0.0000E+00  3.9900E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4592E+00
 ------------------------------------------------------------------------------------------------------------------------
      570 -9.0953E+03  3.0550E+02 -1.1432E+04  1.7546E+03 -1.3287E+04  0.0000E+00  8.1029E+01  1.8751E+01  0.0000E+00
 570.000f -1.0116E+04  0.0000E+00  7.6973E+03 -4.5844E+04  1.3287E+04  0.0000E+00  0.0000E+00  4.0254E+04  0.0000E+00
  58.402s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5242E+00

  rolling -9.0955E+03  3.1020E+02 -1.1466E+04  1.7292E+03 -1.3286E+04  0.0000E+00  7.2698E+01  1.8162E+01  0.0000E+00
 averages -1.0088E+04  0.0000E+00  7.6946E+03 -4.5520E+04  1.3287E+04  0.0000E+00  0.0000E+00  3.9928E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4869E+00
 ------------------------------------------------------------------------------------------------------------------------
      580 -9.0953E+03  3.0366E+02 -1.1419E+04  1.7505E+03 -1.3265E+04  0.0000E+00  7.6695E+01  1.9070E+01  0.0000E+00
 580.000f -1.0042E+04  0.0000E+00  7.4470E+03 -4.5788E+04  1.3265E+04  0.0000E+00  0.0000E+00  3.9969E+04  0.0000E+00
  59.223s  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4127E+00

  rolling -9.0955E+03  3.0894E+02 -1.1457E+04  1.7287E+03 -1.3275E+04  0.0000E+00  7.1948E+01  1.8201E+01  0.0000E+00
 averages -1.0084E+04  0.0000E+00  7.6603E+03 -4.5511E+04  1.3277E+04  0.0000E+00  0.0000E+00  3.9895E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4793E+00
 ------------------------------------------------------------------------------------------------------------------------
      590 -9.0955E+03  3.0871E+02 -1.1458E+04  1.7376E+03 -1.3291E+04  0.0000E+00  7.6540E+01  1.9134E+01  0.0000E+00
 590.000f -1.0138E+04  0.0000E+00  7.8106E+03 -4.5611E+04  1.3292E+04  0.0000E+00  0.0000E+00  4.0130E+04  0.0000E+00
   1.001m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5565E+00

  rolling -9.0955E+03  3.0818E+02 -1.1451E+04  1.7263E+03 -1.3269E+04  0.0000E+00  7.2756E+01  1.8221E+01  0.0000E+00
 averages -1.0091E+04  0.0000E+00  7.6695E+03 -4.5478E+04  1.3270E+04  0.0000E+00  0.0000E+00  3.9878E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4898E+00
 ------------------------------------------------------------------------------------------------------------------------
      600 -9.0954E+03  3.0785E+02 -1.1452E+04  1.7287E+03 -1.3275E+04  0.0000E+00  7.5568E+01  1.8564E+01  0.0000E+00
 600.000f -1.0081E+04  0.0000E+00  7.6234E+03 -4.5494E+04  1.3274E+04  0.0000E+00  0.0000E+00  3.9843E+04  0.0000E+00
   1.015m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4691E+00

  rolling -9.0955E+03  3.0793E+02 -1.1450E+04  1.7261E+03 -1.3267E+04  0.0000E+00  7.2202E+01  1.8429E+01  0.0000E+00
 averages -1.0090E+04  0.0000E+00  7.6589E+03 -4.5474E+04  1.3268E+04  0.0000E+00  0.0000E+00  3.9866E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4864E+00
 ------------------------------------------------------------------------------------------------------------------------
      610 -9.0956E+03  3.0963E+02 -1.1466E+04  1.7176E+03 -1.3277E+04  0.0000E+00  7.3824E+01  1.9225E+01  0.0000E+00
 610.000f -1.0172E+04  0.0000E+00  7.9228E+03 -4.5334E+04  1.3277E+04  0.0000E+00  0.0000E+00  3.9980E+04  0.0000E+00
   1.030m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6058E+00

  rolling -9.0955E+03  3.0765E+02 -1.1448E+04  1.7274E+03 -1.3267E+04  0.0000E+00  7.3026E+01  1.8513E+01  0.0000E+00
 averages -1.0092E+04  0.0000E+00  7.6611E+03 -4.5488E+04  1.3268E+04  0.0000E+00  0.0000E+00  3.9881E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4896E+00
 ------------------------------------------------------------------------------------------------------------------------
      620 -9.0953E+03  3.0848E+02 -1.1457E+04  1.7166E+03 -1.3261E+04  0.0000E+00  7.0169E+01  1.7217E+01  0.0000E+00
 620.000f -1.0018E+04  0.0000E+00  7.4430E+03 -4.5339E+04  1.3259E+04  0.0000E+00  0.0000E+00  3.9523E+04  0.0000E+00
   1.044m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3739E+00

  rolling -9.0955E+03  3.0760E+02 -1.1448E+04  1.7303E+03 -1.3271E+04  0.0000E+00  7.3752E+01  1.8717E+01  0.0000E+00
 averages -1.0086E+04  0.0000E+00  7.6411E+03 -4.5523E+04  1.3272E+04  0.0000E+00  0.0000E+00  3.9892E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4800E+00
 ------------------------------------------------------------------------------------------------------------------------
      630 -9.0955E+03  3.1612E+02 -1.1516E+04  1.7011E+03 -1.3313E+04  0.0000E+00  7.6920E+01  1.8510E+01  0.0000E+00
 630.000f -1.0142E+04  0.0000E+00  7.9285E+03 -4.5140E+04  1.3313E+04  0.0000E+00  0.0000E+00  3.9756E+04  0.0000E+00
   1.058m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5590E+00

  rolling -9.0955E+03  3.0801E+02 -1.1452E+04  1.7316E+03 -1.3277E+04  0.0000E+00  7.4102E+01  1.8791E+01  0.0000E+00
 averages -1.0087E+04  0.0000E+00  7.6464E+03 -4.5539E+04  1.3277E+04  0.0000E+00  0.0000E+00  3.9908E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4795E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.1757E+02 -1.1528E+04  1.7097E+03 -1.3312E+04  0.0000E+00  5.3313E+01  2.0630E+01  0.0000E+00
 640.000f -1.0038E+04  0.0000E+00  7.6375E+03 -4.5266E+04  1.3312E+04  0.0000E+00  0.0000E+00  3.9592E+04  0.0000E+00
   1.072m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4019E+00

  rolling -9.0955E+03  3.0895E+02 -1.1460E+04  1.7317E+03 -1.3284E+04  0.0000E+00  7.3801E+01  1.9020E+01  0.0000E+00
 averages -1.0090E+04  0.0000E+00  7.6695E+03 -4.5538E+04  1.3285E+04  0.0000E+00  0.0000E+00  3.9923E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4839E+00
 ------------------------------------------------------------------------------------------------------------------------
      650 -9.0954E+03  3.0544E+02 -1.1436E+04  1.7219E+03 -1.3248E+04  0.0000E+00  6.9551E+01  2.0868E+01  0.0000E+00
 650.000f -9.9555E+03  0.0000E+00  7.2045E+03 -4.5417E+04  1.3248E+04  0.0000E+00  0.0000E+00  3.9374E+04  0.0000E+00
   1.086m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2775E+00

  rolling -9.0954E+03  3.0932E+02 -1.1463E+04  1.7308E+03 -1.3286E+04  0.0000E+00  7.2861E+01  1.9231E+01  0.0000E+00
 averages -1.0080E+04  0.0000E+00  7.6447E+03 -4.5526E+04  1.3286E+04  0.0000E+00  0.0000E+00  3.9885E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4686E+00
 ------------------------------------------------------------------------------------------------------------------------
      660 -9.0953E+03  3.0417E+02 -1.1426E+04  1.7482E+03 -1.3263E+04  0.0000E+00  6.6734E+01  2.1739E+01  0.0000E+00
 660.000f -9.8156E+03  0.0000E+00  6.7641E+03 -4.5775E+04  1.3262E+04  0.0000E+00  0.0000E+00  3.9277E+04  0.0000E+00
   1.100m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0663E+00

  rolling -9.0954E+03  3.0888E+02 -1.1460E+04  1.7289E+03 -1.3281E+04  0.0000E+00  7.2786E+01  1.9296E+01  0.0000E+00
 averages -1.0066E+04  0.0000E+00  7.5943E+03 -4.5503E+04  1.3281E+04  0.0000E+00  0.0000E+00  3.9816E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4467E+00
 ------------------------------------------------------------------------------------------------------------------------
      670 -9.0954E+03  3.1000E+02 -1.1471E+04  1.7545E+03 -1.3314E+04  0.0000E+00  6.9546E+01  1.8631E+01  0.0000E+00
 670.000f -9.9574E+03  0.0000E+00  7.2767E+03 -4.5863E+04  1.3314E+04  0.0000E+00  0.0000E+00  3.9826E+04  0.0000E+00
   1.114m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2788E+00

  rolling -9.0954E+03  3.0876E+02 -1.1460E+04  1.7289E+03 -1.3280E+04  0.0000E+00  7.1715E+01  1.9427E+01  0.0000E+00
 averages -1.0037E+04  0.0000E+00  7.5031E+03 -4.5505E+04  1.3280E+04  0.0000E+00  0.0000E+00  3.9729E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4018E+00
 ------------------------------------------------------------------------------------------------------------------------
      680 -9.0954E+03  3.0892E+02 -1.1464E+04  1.7571E+03 -1.3322E+04  0.0000E+00  8.2104E+01  1.9398E+01  0.0000E+00
 680.000f -1.0029E+04  0.0000E+00  7.4734E+03 -4.5894E+04  1.3324E+04  0.0000E+00  0.0000E+00  4.0044E+04  0.0000E+00
   1.128m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3857E+00

  rolling -9.0954E+03  3.0946E+02 -1.1465E+04  1.7291E+03 -1.3286E+04  0.0000E+00  7.1690E+01  1.9389E+01  0.0000E+00
 averages -1.0036E+04  0.0000E+00  7.5091E+03 -4.5510E+04  1.3286E+04  0.0000E+00  0.0000E+00  3.9733E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3995E+00
 ------------------------------------------------------------------------------------------------------------------------
      690 -9.0955E+03  3.1226E+02 -1.1490E+04  1.7465E+03 -1.3332E+04  0.0000E+00  8.0637E+01  1.4974E+01  0.0000E+00
 690.000f -1.0192E+04  0.0000E+00  8.0118E+03 -4.5754E+04  1.3333E+04  0.0000E+00  0.0000E+00  4.0433E+04  0.0000E+00
   1.142m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6303E+00

  rolling -9.0954E+03  3.0986E+02 -1.1469E+04  1.7301E+03 -1.3289E+04  0.0000E+00  7.1153E+01  1.9227E+01  0.0000E+00
 averages -1.0035E+04  0.0000E+00  7.5107E+03 -4.5525E+04  1.3290E+04  0.0000E+00  0.0000E+00  3.9747E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3973E+00
 ------------------------------------------------------------------------------------------------------------------------
      700 -9.0954E+03  3.1492E+02 -1.1510E+04  1.7332E+03 -1.3338E+04  0.0000E+00  8.0802E+01  1.3591E+01  0.0000E+00
 700.000f -1.0181E+04  0.0000E+00  8.0202E+03 -4.5583E+04  1.3336E+04  0.0000E+00  0.0000E+00  4.0267E+04  0.0000E+00
   1.156m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6141E+00

  rolling -9.0954E+03  3.1050E+02 -1.1474E+04  1.7303E+03 -1.3295E+04  0.0000E+00  7.1882E+01  1.8710E+01  0.0000E+00
 averages -1.0050E+04  0.0000E+00  7.5648E+03 -4.5530E+04  1.3295E+04  0.0000E+00  0.0000E+00  3.9800E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4195E+00
 ------------------------------------------------------------------------------------------------------------------------
      710 -9.0953E+03  3.1121E+02 -1.1482E+04  1.7457E+03 -1.3325E+04  0.0000E+00  8.2723E+01  1.4125E+01  0.0000E+00
 710.000f -9.9731E+03  0.0000E+00  7.3372E+03 -4.5759E+04  1.3322E+04  0.0000E+00  0.0000E+00  3.9774E+04  0.0000E+00
   1.170m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2998E+00

  rolling -9.0954E+03  3.1096E+02 -1.1478E+04  1.7320E+03 -1.3301E+04  0.0000E+00  7.2313E+01  1.8211E+01  0.0000E+00
 averages -1.0040E+04  0.0000E+00  7.5408E+03 -4.5558E+04  1.3301E+04  0.0000E+00  0.0000E+00  3.9798E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4039E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0953E+03  3.0976E+02 -1.1472E+04  1.7619E+03 -1.3325E+04  0.0000E+00  7.3912E+01  1.6967E+01  0.0000E+00
 720.000f -9.9736E+03  0.0000E+00  7.3151E+03 -4.5974E+04  1.3321E+04  0.0000E+00  0.0000E+00  3.9968E+04  0.0000E+00
   1.184m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2999E+00

  rolling -9.0954E+03  3.1104E+02 -1.1479E+04  1.7358E+03 -1.3306E+04  0.0000E+00  7.2970E+01  1.7890E+01  0.0000E+00
 averages -1.0028E+04  0.0000E+00  7.5052E+03 -4.5611E+04  1.3305E+04  0.0000E+00  0.0000E+00  3.9811E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3855E+00
 ------------------------------------------------------------------------------------------------------------------------
      730 -9.0956E+03  3.1327E+02 -1.1499E+04  1.7687E+03 -1.3353E+04  0.0000E+00  6.5244E+01  1.9330E+01  0.0000E+00
 730.000f -9.9998E+03  0.0000E+00  7.4448E+03 -4.6067E+04  1.3351E+04  0.0000E+00  0.0000E+00  4.0161E+04  0.0000E+00
   1.198m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3381E+00

  rolling -9.0954E+03  3.1094E+02 -1.1479E+04  1.7419E+03 -1.3312E+04  0.0000E+00  7.3034E+01  1.8080E+01  0.0000E+00
 averages -1.0016E+04  0.0000E+00  7.4667E+03 -4.5696E+04  1.3311E+04  0.0000E+00  0.0000E+00  3.9852E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3669E+00
 ------------------------------------------------------------------------------------------------------------------------
      740 -9.0955E+03  3.1094E+02 -1.1482E+04  1.7682E+03 -1.3334E+04  0.0000E+00  6.8279E+01  1.5206E+01  0.0000E+00
 740.000f -1.0025E+04  0.0000E+00  7.4847E+03 -4.6060E+04  1.3333E+04  0.0000E+00  0.0000E+00  4.0212E+04  0.0000E+00
   1.212m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3759E+00

  rolling -9.0954E+03  3.1017E+02 -1.1474E+04  1.7484E+03 -1.3313E+04  0.0000E+00  7.3638E+01  1.7748E+01  0.0000E+00
 averages -1.0006E+04  0.0000E+00  7.4231E+03 -4.5785E+04  1.3313E+04  0.0000E+00  0.0000E+00  3.9895E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3509E+00
 ------------------------------------------------------------------------------------------------------------------------
      750 -9.0956E+03  3.1442E+02 -1.1509E+04  1.7817E+03 -1.3378E+04  0.0000E+00  7.0424E+01  1.6590E+01  0.0000E+00
 750.000f -9.8563E+03  0.0000E+00  7.0287E+03 -4.6253E+04  1.3376E+04  0.0000E+00  0.0000E+00  3.9906E+04  0.0000E+00
   1.226m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1206E+00

  rolling -9.0954E+03  3.1043E+02 -1.1476E+04  1.7542E+03 -1.3322E+04  0.0000E+00  7.4747E+01  1.7276E+01  0.0000E+00
 averages -1.0002E+04  0.0000E+00  7.4134E+03 -4.5865E+04  1.3321E+04  0.0000E+00  0.0000E+00  3.9957E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3441E+00
 ------------------------------------------------------------------------------------------------------------------------
      760 -9.0954E+03  3.0991E+02 -1.1475E+04  1.8046E+03 -1.3368E+04  0.0000E+00  7.2967E+01  1.5627E+01  0.0000E+00
 760.000f -9.7544E+03  0.0000E+00  6.6534E+03 -4.6554E+04  1.3366E+04  0.0000E+00  0.0000E+00  3.9842E+04  0.0000E+00
   1.240m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6683E-01

  rolling -9.0954E+03  3.1111E+02 -1.1482E+04  1.7601E+03 -1.3334E+04  0.0000E+00  7.5497E+01  1.6741E+01  0.0000E+00
 averages -9.9909E+03  0.0000E+00  7.3884E+03 -4.5947E+04  1.3333E+04  0.0000E+00  0.0000E+00  4.0003E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3264E+00
 ------------------------------------------------------------------------------------------------------------------------
      770 -9.0954E+03  3.1053E+02 -1.1480E+04  1.8216E+03 -1.3395E+04  0.0000E+00  7.2992E+01  1.9856E+01  0.0000E+00
 770.000f -9.7976E+03  0.0000E+00  6.7909E+03 -4.6774E+04  1.3392E+04  0.0000E+00  0.0000E+00  4.0173E+04  0.0000E+00
   1.254m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0310E+00

  rolling -9.0954E+03  3.1144E+02 -1.1485E+04  1.7660E+03 -1.3344E+04  0.0000E+00  7.6448E+01  1.6435E+01  0.0000E+00
 averages -9.9847E+03  0.0000E+00  7.3736E+03 -4.6028E+04  1.3342E+04  0.0000E+00  0.0000E+00  4.0059E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3164E+00
 ------------------------------------------------------------------------------------------------------------------------
      780 -9.0953E+03  3.1028E+02 -1.1479E+04  1.8545E+03 -1.3431E+04  0.0000E+00  7.6212E+01  2.1924E+01  0.0000E+00
 780.000f -9.7046E+03  0.0000E+00  6.5068E+03 -4.7197E+04  1.3428E+04  0.0000E+00  0.0000E+00  4.0275E+04  0.0000E+00
   1.268m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.9046E-01

  rolling -9.0954E+03  3.1129E+02 -1.1484E+04  1.7745E+03 -1.3352E+04  0.0000E+00  7.6779E+01  1.6779E+01  0.0000E+00
 averages -9.9558E+03  0.0000E+00  7.2832E+03 -4.6142E+04  1.3351E+04  0.0000E+00  0.0000E+00  4.0075E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2722E+00
 ------------------------------------------------------------------------------------------------------------------------
      790 -9.0955E+03  3.1706E+02 -1.1531E+04  1.8583E+03 -1.3488E+04  0.0000E+00  8.2125E+01  1.6823E+01  0.0000E+00
 790.000f -9.8227E+03  0.0000E+00  6.9623E+03 -4.7234E+04  1.3486E+04  0.0000E+00  0.0000E+00  4.0710E+04  0.0000E+00
   1.283m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0671E+00

  rolling -9.0954E+03  3.1167E+02 -1.1487E+04  1.7853E+03 -1.3366E+04  0.0000E+00  7.6843E+01  1.6916E+01  0.0000E+00
 averages -9.9207E+03  0.0000E+00  7.1820E+03 -4.6286E+04  1.3364E+04  0.0000E+00  0.0000E+00  4.0103E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2186E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0953E+03  3.1341E+02 -1.1504E+04  1.8342E+03 -1.3431E+04  0.0000E+00  7.5403E+01  1.7187E+01  0.0000E+00
 800.000f -9.8106E+03  0.0000E+00  6.8691E+03 -4.6911E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0351E+04  0.0000E+00
   1.297m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0483E+00

  rolling -9.0954E+03  3.1187E+02 -1.1489E+04  1.7963E+03 -1.3379E+04  0.0000E+00  7.6270E+01  1.7250E+01  0.0000E+00
 averages -9.8815E+03  0.0000E+00  7.0662E+03 -4.6430E+04  1.3377E+04  0.0000E+00  0.0000E+00  4.0119E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1589E+00
 ------------------------------------------------------------------------------------------------------------------------
      810 -9.0954E+03  3.1657E+02 -1.1529E+04  1.7955E+03 -1.3420E+04  0.0000E+00  8.1245E+01  1.4965E+01  0.0000E+00
 810.000f -9.9797E+03  0.0000E+00  7.4225E+03 -4.6387E+04  1.3418E+04  0.0000E+00  0.0000E+00  4.0391E+04  0.0000E+00
   1.311m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3017E+00

  rolling -9.0954E+03  3.1193E+02 -1.1490E+04  1.8038E+03 -1.3387E+04  0.0000E+00  7.5478E+01  1.7430E+01  0.0000E+00
 averages -9.8642E+03  0.0000E+00  7.0134E+03 -4.6528E+04  1.3385E+04  0.0000E+00  0.0000E+00  4.0156E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1319E+00
 ------------------------------------------------------------------------------------------------------------------------
      820 -9.0954E+03  3.1864E+02 -1.1545E+04  1.7774E+03 -1.3417E+04  0.0000E+00  7.6977E+01  1.7196E+01  0.0000E+00
 820.000f -1.0055E+04  0.0000E+00  7.6773E+03 -4.6137E+04  1.3414E+04  0.0000E+00  0.0000E+00  4.0400E+04  0.0000E+00
   1.325m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4137E+00

  rolling -9.0954E+03  3.1298E+02 -1.1499E+04  1.8065E+03 -1.3398E+04  0.0000E+00  7.5009E+01  1.7505E+01  0.0000E+00
 averages -9.8743E+03  0.0000E+00  7.0580E+03 -4.6559E+04  1.3396E+04  0.0000E+00  0.0000E+00  4.0221E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1463E+00
 ------------------------------------------------------------------------------------------------------------------------
      830 -9.0955E+03  3.1683E+02 -1.1532E+04  1.7494E+03 -1.3373E+04  0.0000E+00  7.6769E+01  1.5080E+01  0.0000E+00
 830.000f -1.0153E+04  0.0000E+00  7.9428E+03 -4.5763E+04  1.3371E+04  0.0000E+00  0.0000E+00  4.0335E+04  0.0000E+00
   1.339m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5607E+00

  rolling -9.0954E+03  3.1365E+02 -1.1505E+04  1.8060E+03 -1.3403E+04  0.0000E+00  7.4814E+01  1.7226E+01  0.0000E+00
 averages -9.8871E+03  0.0000E+00  7.1051E+03 -4.6548E+04  1.3401E+04  0.0000E+00  0.0000E+00  4.0253E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1648E+00
 ------------------------------------------------------------------------------------------------------------------------
      840 -9.0955E+03  3.1006E+02 -1.1481E+04  1.7420E+03 -1.3313E+04  0.0000E+00  7.1446E+01  1.7975E+01  0.0000E+00
 840.000f -1.0006E+04  0.0000E+00  7.3966E+03 -4.5674E+04  1.3312E+04  0.0000E+00  0.0000E+00  3.9759E+04  0.0000E+00
   1.353m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3385E+00

  rolling -9.0954E+03  3.1388E+02 -1.1507E+04  1.8031E+03 -1.3403E+04  0.0000E+00  7.5409E+01  1.7159E+01  0.0000E+00
 averages -9.8964E+03  0.0000E+00  7.1346E+03 -4.6507E+04  1.3401E+04  0.0000E+00  0.0000E+00  4.0240E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1778E+00
 ------------------------------------------------------------------------------------------------------------------------
      850 -9.0958E+03  3.1293E+02 -1.1504E+04  1.7481E+03 -1.3334E+04  0.0000E+00  6.3583E+01  1.7954E+01  0.0000E+00
 850.000f -9.9998E+03  0.0000E+00  7.4178E+03 -4.5750E+04  1.3333E+04  0.0000E+00  0.0000E+00  3.9835E+04  0.0000E+00
   1.367m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3272E+00

  rolling -9.0954E+03  3.1371E+02 -1.1506E+04  1.8004E+03 -1.3399E+04  0.0000E+00  7.4629E+01  1.7422E+01  0.0000E+00
 averages -9.8996E+03  0.0000E+00  7.1399E+03 -4.6466E+04  1.3397E+04  0.0000E+00  0.0000E+00  4.0209E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1818E+00
 ------------------------------------------------------------------------------------------------------------------------
      860 -9.0956E+03  3.0597E+02 -1.1452E+04  1.7426E+03 -1.3275E+04  0.0000E+00  6.2848E+01  1.7562E+01  0.0000E+00
 860.000f -9.9073E+03  0.0000E+00  7.0321E+03 -4.5689E+04  1.3274E+04  0.0000E+00  0.0000E+00  3.9447E+04  0.0000E+00
   1.381m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1869E+00

  rolling -9.0955E+03  3.1356E+02 -1.1506E+04  1.7953E+03 -1.3393E+04  0.0000E+00  7.3916E+01  1.7555E+01  0.0000E+00
 averages -9.9212E+03  0.0000E+00  7.2005E+03 -4.6392E+04  1.3391E+04  0.0000E+00  0.0000E+00  4.0202E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2133E+00
 ------------------------------------------------------------------------------------------------------------------------
      870 -9.0957E+03  3.0697E+02 -1.1460E+04  1.7443E+03 -1.3283E+04  0.0000E+00  6.5261E+01  1.3992E+01  0.0000E+00
 870.000f -9.8811E+03  0.0000E+00  6.9663E+03 -4.5712E+04  1.3284E+04  0.0000E+00  0.0000E+00  3.9395E+04  0.0000E+00
   1.395m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1463E+00

  rolling -9.0955E+03  3.1296E+02 -1.1502E+04  1.7885E+03 -1.3381E+04  0.0000E+00  7.3232E+01  1.7419E+01  0.0000E+00
 averages -9.9247E+03  0.0000E+00  7.1997E+03 -4.6298E+04  1.3379E+04  0.0000E+00  0.0000E+00  4.0118E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2175E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0954E+03  3.0706E+02 -1.1461E+04  1.7382E+03 -1.3292E+04  0.0000E+00  7.3766E+01  1.8991E+01  0.0000E+00
 880.000f -9.9536E+03  0.0000E+00  7.1842E+03 -4.5627E+04  1.3289E+04  0.0000E+00  0.0000E+00  3.9522E+04  0.0000E+00
   1.409m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2549E+00

  rolling -9.0955E+03  3.1277E+02 -1.1501E+04  1.7786E+03 -1.3370E+04  0.0000E+00  7.2999E+01  1.6840E+01  0.0000E+00
 averages -9.9450E+03  0.0000E+00  7.2556E+03 -4.6163E+04  1.3368E+04  0.0000E+00  0.0000E+00  4.0051E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2470E+00
 ------------------------------------------------------------------------------------------------------------------------
      890 -9.0954E+03  3.0560E+02 -1.1451E+04  1.7299E+03 -1.3270E+04  0.0000E+00  7.0922E+01  1.8874E+01  0.0000E+00
 890.000f -9.9381E+03  0.0000E+00  7.1134E+03 -4.5494E+04  1.3269E+04  0.0000E+00  0.0000E+00  3.9339E+04  0.0000E+00
   1.423m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2305E+00

  rolling -9.0955E+03  3.1197E+02 -1.1496E+04  1.7661E+03 -1.3351E+04  0.0000E+00  7.1993E+01  1.6934E+01  0.0000E+00
 averages -9.9612E+03  0.0000E+00  7.2901E+03 -4.5995E+04  1.3349E+04  0.0000E+00  0.0000E+00  3.9935E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2704E+00
 ------------------------------------------------------------------------------------------------------------------------
      900 -9.0954E+03  3.0579E+02 -1.1453E+04  1.6942E+03 -1.3241E+04  0.0000E+00  7.8124E+01  1.6385E+01  0.0000E+00
 900.000f -1.0202E+04  0.0000E+00  7.9049E+03 -4.4996E+04  1.3240E+04  0.0000E+00  0.0000E+00  3.9661E+04  0.0000E+00
   1.437m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6261E+00

  rolling -9.0955E+03  3.1090E+02 -1.1488E+04  1.7523E+03 -1.3330E+04  0.0000E+00  7.2057E+01  1.6946E+01  0.0000E+00
 averages -9.9895E+03  0.0000E+00  7.3566E+03 -4.5808E+04  1.3328E+04  0.0000E+00  0.0000E+00  3.9836E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3120E+00
 ------------------------------------------------------------------------------------------------------------------------
      910 -9.0956E+03  3.0949E+02 -1.1482E+04  1.6726E+03 -1.3238E+04  0.0000E+00  6.8766E+01  1.4833E+01  0.0000E+00
 910.000f -1.0258E+04  0.0000E+00  8.1269E+03 -4.4709E+04  1.3238E+04  0.0000E+00  0.0000E+00  3.9598E+04  0.0000E+00
   1.451m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7092E+00

  rolling -9.0955E+03  3.1030E+02 -1.1484E+04  1.7393E+03 -1.3313E+04  0.0000E+00  7.1821E+01  1.6923E+01  0.0000E+00
 averages -1.0023E+04  0.0000E+00  7.4451E+03 -4.5630E+04  1.3311E+04  0.0000E+00  0.0000E+00  3.9764E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3610E+00
 ------------------------------------------------------------------------------------------------------------------------
      920 -9.0955E+03  3.0491E+02 -1.1447E+04  1.6515E+03 -1.3191E+04  0.0000E+00  7.4110E+01  1.7809E+01  0.0000E+00
 920.000f -1.0339E+04  0.0000E+00  8.2997E+03 -4.4413E+04  1.3191E+04  0.0000E+00  0.0000E+00  3.9522E+04  0.0000E+00
   1.465m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8309E+00

  rolling -9.0955E+03  3.0904E+02 -1.1476E+04  1.7269E+03 -1.3291E+04  0.0000E+00  7.1482E+01  1.6930E+01  0.0000E+00
 averages -1.0050E+04  0.0000E+00  7.5061E+03 -4.5459E+04  1.3290E+04  0.0000E+00  0.0000E+00  3.9675E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4012E+00
 ------------------------------------------------------------------------------------------------------------------------
      930 -9.0957E+03  3.1093E+02 -1.1494E+04  1.6570E+03 -1.3241E+04  0.0000E+00  7.3338E+01  1.6274E+01  0.0000E+00
 930.000f -1.0283E+04  0.0000E+00  8.2198E+03 -4.4502E+04  1.3241E+04  0.0000E+00  0.0000E+00  3.9481E+04  0.0000E+00
   1.479m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7448E+00

  rolling -9.0955E+03  3.0796E+02 -1.1468E+04  1.7160E+03 -1.3273E+04  0.0000E+00  7.1546E+01  1.7041E+01  0.0000E+00
 averages -1.0069E+04  0.0000E+00  7.5443E+03 -4.5311E+04  1.3272E+04  0.0000E+00  0.0000E+00  3.9584E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4286E+00
 ------------------------------------------------------------------------------------------------------------------------
      940 -9.0955E+03  3.1174E+02 -1.1501E+04  1.6693E+03 -1.3264E+04  0.0000E+00  7.6469E+01  1.7873E+01  0.0000E+00
 940.000f -1.0357E+04  0.0000E+00  8.4535E+03 -4.4664E+04  1.3264E+04  0.0000E+00  0.0000E+00  3.9853E+04  0.0000E+00
   1.493m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8558E+00

  rolling -9.0956E+03  3.0796E+02 -1.1469E+04  1.7082E+03 -1.3265E+04  0.0000E+00  7.1284E+01  1.7058E+01  0.0000E+00
 averages -1.0094E+04  0.0000E+00  7.6162E+03 -4.5203E+04  1.3265E+04  0.0000E+00  0.0000E+00  3.9554E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4647E+00
 ------------------------------------------------------------------------------------------------------------------------
      950 -9.0955E+03  3.1033E+02 -1.1490E+04  1.6821E+03 -1.3257E+04  0.0000E+00  6.7279E+01  1.6808E+01  0.0000E+00
 950.000f -1.0266E+04  0.0000E+00  8.1573E+03 -4.4845E+04  1.3257E+04  0.0000E+00  0.0000E+00  3.9746E+04  0.0000E+00
   1.507m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7181E+00

  rolling -9.0956E+03  3.0799E+02 -1.1470E+04  1.7010E+03 -1.3259E+04  0.0000E+00  7.0984E+01  1.6977E+01  0.0000E+00
 averages -1.0130E+04  0.0000E+00  7.7219E+03 -4.5103E+04  1.3258E+04  0.0000E+00  0.0000E+00  3.9567E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5175E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.1663E+02 -1.1539E+04  1.6827E+03 -1.3315E+04  0.0000E+00  7.2436E+01  2.1075E+01  0.0000E+00
 960.000f -1.0449E+04  0.0000E+00  8.8002E+03 -4.4865E+04  1.3314E+04  0.0000E+00  0.0000E+00  4.0352E+04  0.0000E+00
   1.521m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9923E+00

  rolling -9.0955E+03  3.0846E+02 -1.1474E+04  1.6947E+03 -1.3257E+04  0.0000E+00  7.0929E+01  1.7036E+01  0.0000E+00
 averages -1.0166E+04  0.0000E+00  7.8364E+03 -4.5018E+04  1.3256E+04  0.0000E+00  0.0000E+00  3.9598E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5714E+00
 ------------------------------------------------------------------------------------------------------------------------
      970 -9.0955E+03  3.1205E+02 -1.1505E+04  1.6937E+03 -1.3292E+04  0.0000E+00  7.0266E+01  2.2917E+01  0.0000E+00
 970.000f -1.0301E+04  0.0000E+00  8.2849E+03 -4.5010E+04  1.3292E+04  0.0000E+00  0.0000E+00  4.0003E+04  0.0000E+00
   1.535m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7689E+00

  rolling -9.0955E+03  3.0945E+02 -1.1482E+04  1.6891E+03 -1.3261E+04  0.0000E+00  7.1809E+01  1.7796E+01  0.0000E+00
 averages -1.0221E+04  0.0000E+00  8.0134E+03 -4.4940E+04  1.3260E+04  0.0000E+00  0.0000E+00  3.9693E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6526E+00
 ------------------------------------------------------------------------------------------------------------------------
      980 -9.0955E+03  3.0788E+02 -1.1474E+04  1.6995E+03 -1.3267E+04  0.0000E+00  7.3560E+01  1.9960E+01  0.0000E+00
 980.000f -1.0258E+04  0.0000E+00  8.0905E+03 -4.5101E+04  1.3267E+04  0.0000E+00  0.0000E+00  3.9924E+04  0.0000E+00
   1.549m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7033E+00

  rolling -9.0955E+03  3.0961E+02 -1.1484E+04  1.6847E+03 -1.3259E+04  0.0000E+00  7.1611E+01  1.8292E+01  0.0000E+00
 averages -1.0251E+04  0.0000E+00  8.1061E+03 -4.4880E+04  1.3258E+04  0.0000E+00  0.0000E+00  3.9728E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6978E+00
 ------------------------------------------------------------------------------------------------------------------------
      990 -9.0955E+03  3.0722E+02 -1.1469E+04  1.7042E+03 -1.3260E+04  0.0000E+00  7.0263E+01  1.6337E+01  0.0000E+00
 990.000f -1.0193E+04  0.0000E+00  7.8835E+03 -4.5180E+04  1.3262E+04  0.0000E+00  0.0000E+00  3.9802E+04  0.0000E+00
   1.563m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6045E+00

  rolling -9.0956E+03  3.0973E+02 -1.1485E+04  1.6811E+03 -1.3257E+04  0.0000E+00  7.2218E+01  1.8113E+01  0.0000E+00
 averages -1.0285E+04  0.0000E+00  8.2065E+03 -4.4833E+04  1.3257E+04  0.0000E+00  0.0000E+00  3.9782E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7473E+00
 ------------------------------------------------------------------------------------------------------------------------
     1000 -9.0957E+03  3.1130E+02 -1.1501E+04  1.7164E+03 -1.3309E+04  0.0000E+00  7.1853E+01  1.9304E+01  0.0000E+00
   1.000p -1.0120E+04  0.0000E+00  7.7251E+03 -4.5362E+04  1.3311E+04  0.0000E+00  0.0000E+00  3.9775E+04  0.0000E+00
   1.577m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4938E+00

  rolling -9.0956E+03  3.1004E+02 -1.1488E+04  1.6815E+03 -1.3260E+04  0.0000E+00  7.1622E+01  1.8171E+01  0.0000E+00
 averages -1.0287E+04  0.0000E+00  8.2148E+03 -4.4844E+04  1.3260E+04  0.0000E+00  0.0000E+00  3.9798E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7491E+00
 ------------------------------------------------------------------------------------------------------------------------
     1010 -9.0956E+03  3.1154E+02 -1.1504E+04  1.7177E+03 -1.3316E+04  0.0000E+00  7.5248E+01  1.8890E+01  0.0000E+00
   1.010p -1.0108E+04  0.0000E+00  7.6912E+03 -4.5390E+04  1.3317E+04  0.0000E+00  0.0000E+00  3.9764E+04  0.0000E+00
   1.593m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4750E+00

  rolling -9.0956E+03  3.1049E+02 -1.1493E+04  1.6848E+03 -1.3268E+04  0.0000E+00  7.1845E+01  1.8541E+01  0.0000E+00
 averages -1.0278E+04  0.0000E+00  8.1947E+03 -4.4895E+04  1.3268E+04  0.0000E+00  0.0000E+00  3.9821E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7356E+00
 ------------------------------------------------------------------------------------------------------------------------
     1020 -9.0957E+03  3.0937E+02 -1.1488E+04  1.7308E+03 -1.3303E+04  0.0000E+00  6.6982E+01  1.7306E+01  0.0000E+00
   1.020p -1.0111E+04  0.0000E+00  7.6626E+03 -4.5544E+04  1.3304E+04  0.0000E+00  0.0000E+00  3.9903E+04  0.0000E+00
   1.607m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4772E+00

  rolling -9.0956E+03  3.1074E+02 -1.1495E+04  1.6913E+03 -1.3277E+04  0.0000E+00  7.1769E+01  1.8734E+01  0.0000E+00
 averages -1.0254E+04  0.0000E+00  8.1248E+03 -4.4990E+04  1.3277E+04  0.0000E+00  0.0000E+00  3.9837E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6985E+00
 ------------------------------------------------------------------------------------------------------------------------
     1030 -9.0955E+03  3.0871E+02 -1.1483E+04  1.7524E+03 -1.3331E+04  0.0000E+00  7.5306E+01  2.0231E+01  0.0000E+00
   1.030p -1.0166E+04  0.0000E+00  7.8177E+03 -4.5843E+04  1.3331E+04  0.0000E+00  0.0000E+00  4.0329E+04  0.0000E+00
   1.621m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5601E+00

  rolling -9.0956E+03  3.1089E+02 -1.1497E+04  1.7001E+03 -1.3288E+04  0.0000E+00  7.1794E+01  1.8778E+01  0.0000E+00
 averages -1.0240E+04  0.0000E+00  8.0816E+03 -4.5113E+04  1.3288E+04  0.0000E+00  0.0000E+00  3.9907E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6758E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.1327E+02 -1.1519E+04  1.7662E+03 -1.3388E+04  0.0000E+00  7.8477E+01  2.4531E+01  0.0000E+00
   1.040p -1.0169E+04  0.0000E+00  7.8924E+03 -4.6025E+04  1.3388E+04  0.0000E+00  0.0000E+00  4.0530E+04  0.0000E+00
   1.635m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5626E+00

  rolling -9.0956E+03  3.1076E+02 -1.1497E+04  1.7100E+03 -1.3298E+04  0.0000E+00  7.1627E+01  1.9507E+01  0.0000E+00
 averages -1.0225E+04  0.0000E+00  8.0323E+03 -4.5252E+04  1.3298E+04  0.0000E+00  0.0000E+00  3.9986E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6520E+00
 ------------------------------------------------------------------------------------------------------------------------
     1050 -9.0957E+03  3.1366E+02 -1.1523E+04  1.7694E+03 -1.3383E+04  0.0000E+00  7.2061E+01  1.8782E+01  0.0000E+00
   1.050p -9.9902E+03  0.0000E+00  7.3607E+03 -4.6098E+04  1.3383E+04  0.0000E+00  0.0000E+00  4.0075E+04  0.0000E+00
   1.649m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2930E+00

  rolling -9.0956E+03  3.1106E+02 -1.1500E+04  1.7194E+03 -1.3311E+04  0.0000E+00  7.2665E+01  1.9839E+01  0.0000E+00
 averages -1.0201E+04  0.0000E+00  7.9626E+03 -4.5385E+04  1.3312E+04  0.0000E+00  0.0000E+00  4.0036E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6148E+00
 ------------------------------------------------------------------------------------------------------------------------
     1060 -9.0955E+03  3.1056E+02 -1.1500E+04  1.7726E+03 -1.3364E+04  0.0000E+00  7.4755E+01  1.7526E+01  0.0000E+00
   1.060p -9.8632E+03  0.0000E+00  6.9308E+03 -4.6135E+04  1.3364E+04  0.0000E+00  0.0000E+00  3.9701E+04  0.0000E+00
   1.663m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1010E+00

  rolling -9.0956E+03  3.1075E+02 -1.1498E+04  1.7284E+03 -1.3319E+04  0.0000E+00  7.3018E+01  1.9891E+01  0.0000E+00
 averages -1.0155E+04  0.0000E+00  7.8198E+03 -4.5513E+04  1.3320E+04  0.0000E+00  0.0000E+00  4.0013E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5455E+00
 ------------------------------------------------------------------------------------------------------------------------
     1070 -9.0956E+03  3.1149E+02 -1.1507E+04  1.7812E+03 -1.3371E+04  0.0000E+00  6.8136E+01  1.3692E+01  0.0000E+00
   1.070p -9.8003E+03  0.0000E+00  6.7540E+03 -4.6250E+04  1.3371E+04  0.0000E+00  0.0000E+00  3.9633E+04  0.0000E+00
   1.677m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0052E+00

  rolling -9.0956E+03  3.1056E+02 -1.1497E+04  1.7372E+03 -1.3326E+04  0.0000E+00  7.2481E+01  1.8979E+01  0.0000E+00
 averages -1.0102E+04  0.0000E+00  7.6562E+03 -4.5638E+04  1.3326E+04  0.0000E+00  0.0000E+00  3.9968E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4649E+00
 ------------------------------------------------------------------------------------------------------------------------
     1080 -9.0955E+03  3.1041E+02 -1.1500E+04  1.7817E+03 -1.3372E+04  0.0000E+00  6.9682E+01  2.0750E+01  0.0000E+00
   1.080p -9.8488E+03  0.0000E+00  6.8813E+03 -4.6240E+04  1.3371E+04  0.0000E+00  0.0000E+00  3.9750E+04  0.0000E+00
   1.691m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0774E+00

  rolling -9.0956E+03  3.1050E+02 -1.1497E+04  1.7457E+03 -1.3334E+04  0.0000E+00  7.2926E+01  1.8666E+01  0.0000E+00
 averages -1.0056E+04  0.0000E+00  7.5143E+03 -4.5757E+04  1.3335E+04  0.0000E+00  0.0000E+00  3.9936E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3942E+00
 ------------------------------------------------------------------------------------------------------------------------
     1090 -9.0954E+03  3.1453E+02 -1.1532E+04  1.7753E+03 -1.3401E+04  0.0000E+00  7.6358E+01  1.7392E+01  0.0000E+00
   1.090p -9.9601E+03  0.0000E+00  7.2761E+03 -4.6143E+04  1.3400E+04  0.0000E+00  0.0000E+00  4.0019E+04  0.0000E+00
   1.705m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2438E+00

  rolling -9.0956E+03  3.1109E+02 -1.1502E+04  1.7537E+03 -1.3348E+04  0.0000E+00  7.2810E+01  1.8780E+01  0.0000E+00
 averages -1.0022E+04  0.0000E+00  7.4189E+03 -4.5867E+04  1.3348E+04  0.0000E+00  0.0000E+00  3.9938E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3418E+00
 ------------------------------------------------------------------------------------------------------------------------
     1100 -9.0957E+03  3.1892E+02 -1.1566E+04  1.7382E+03 -1.3404E+04  0.0000E+00  7.5760E+01  2.3918E+01  0.0000E+00
   1.100p -1.0145E+04  0.0000E+00  7.8959E+03 -4.5651E+04  1.3404E+04  0.0000E+00  0.0000E+00  4.0143E+04  0.0000E+00
   1.719m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5212E+00

  rolling -9.0956E+03  3.1187E+02 -1.1509E+04  1.7580E+03 -1.3360E+04  0.0000E+00  7.3613E+01  1.9026E+01  0.0000E+00
 averages -1.0015E+04  0.0000E+00  7.4081E+03 -4.5924E+04  1.3360E+04  0.0000E+00  0.0000E+00  3.9973E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3304E+00
 ------------------------------------------------------------------------------------------------------------------------
     1110 -9.0955E+03  3.1642E+02 -1.1548E+04  1.7040E+03 -1.3356E+04  0.0000E+00  7.8600E+01  2.5941E+01  0.0000E+00
   1.110p -1.0277E+04  0.0000E+00  8.2502E+03 -4.5192E+04  1.3355E+04  0.0000E+00  0.0000E+00  4.0087E+04  0.0000E+00
   1.733m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7180E+00

  rolling -9.0956E+03  3.1235E+02 -1.1513E+04  1.7583E+03 -1.3366E+04  0.0000E+00  7.4235E+01  1.9707E+01  0.0000E+00
 averages -1.0022E+04  0.0000E+00  7.4348E+03 -4.5928E+04  1.3366E+04  0.0000E+00  0.0000E+00  3.9997E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3402E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.1461E+02 -1.1535E+04  1.6970E+03 -1.3330E+04  0.0000E+00  7.6713E+01  2.1058E+01  0.0000E+00
   1.120p -1.0287E+04  0.0000E+00  8.2519E+03 -4.5087E+04  1.3328E+04  0.0000E+00  0.0000E+00  4.0010E+04  0.0000E+00
   1.747m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7328E+00

  rolling -9.0955E+03  3.1295E+02 -1.1519E+04  1.7554E+03 -1.3369E+04  0.0000E+00  7.4789E+01  2.0247E+01  0.0000E+00
 averages -1.0046E+04  0.0000E+00  7.5127E+03 -4.5888E+04  1.3369E+04  0.0000E+00  0.0000E+00  4.0031E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3746E+00
 ------------------------------------------------------------------------------------------------------------------------
     1130 -9.0955E+03  3.1342E+02 -1.1527E+04  1.7346E+03 -1.3346E+04  0.0000E+00  6.8019E+01  1.7141E+01  0.0000E+00
   1.130p -1.0043E+04  0.0000E+00  7.4968E+03 -4.5555E+04  1.3344E+04  0.0000E+00  0.0000E+00  3.9708E+04  0.0000E+00
   1.761m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3631E+00

  rolling -9.0955E+03  3.1345E+02 -1.1523E+04  1.7528E+03 -1.3371E+04  0.0000E+00  7.4898E+01  2.0288E+01  0.0000E+00
 averages -1.0045E+04  0.0000E+00  7.5163E+03 -4.5850E+04  1.3371E+04  0.0000E+00  0.0000E+00  3.9996E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3726E+00
 ------------------------------------------------------------------------------------------------------------------------
     1140 -9.0953E+03  3.0861E+02 -1.1491E+04  1.7422E+03 -1.3334E+04  0.0000E+00  8.2978E+01  1.7742E+01  0.0000E+00
   1.140p -1.0026E+04  0.0000E+00  7.3719E+03 -4.5646E+04  1.3331E+04  0.0000E+00  0.0000E+00  3.9687E+04  0.0000E+00
   1.775m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3372E+00

  rolling -9.0955E+03  3.1342E+02 -1.1524E+04  1.7509E+03 -1.3369E+04  0.0000E+00  7.4905E+01  1.9702E+01  0.0000E+00
 averages -1.0029E+04  0.0000E+00  7.4637E+03 -4.5819E+04  1.3368E+04  0.0000E+00  0.0000E+00  3.9914E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3464E+00
 ------------------------------------------------------------------------------------------------------------------------
     1150 -9.0953E+03  3.1358E+02 -1.1530E+04  1.7343E+03 -1.3359E+04  0.0000E+00  7.6811E+01  1.8059E+01  0.0000E+00
   1.150p -1.0104E+04  0.0000E+00  7.6780E+03 -4.5537E+04  1.3356E+04  0.0000E+00  0.0000E+00  3.9859E+04  0.0000E+00
   1.789m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4527E+00

  rolling -9.0955E+03  3.1318E+02 -1.1523E+04  1.7477E+03 -1.3364E+04  0.0000E+00  7.4222E+01  1.9310E+01  0.0000E+00
 averages -1.0028E+04  0.0000E+00  7.4548E+03 -4.5770E+04  1.3363E+04  0.0000E+00  0.0000E+00  3.9862E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3439E+00
 ------------------------------------------------------------------------------------------------------------------------
     1160 -9.0956E+03  3.1617E+02 -1.1551E+04  1.7196E+03 -1.3371E+04  0.0000E+00  8.2969E+01  1.8302E+01  0.0000E+00
   1.160p -1.0388E+04  0.0000E+00  8.5649E+03 -4.5320E+04  1.3371E+04  0.0000E+00  0.0000E+00  4.0514E+04  0.0000E+00
   1.803m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8778E+00

  rolling -9.0955E+03  3.1377E+02 -1.1528E+04  1.7429E+03 -1.3365E+04  0.0000E+00  7.4872E+01  1.9350E+01  0.0000E+00
 averages -1.0067E+04  0.0000E+00  7.5785E+03 -4.5695E+04  1.3364E+04  0.0000E+00  0.0000E+00  3.9910E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4013E+00
 ------------------------------------------------------------------------------------------------------------------------
     1170 -9.0955E+03  3.0682E+02 -1.1480E+04  1.7402E+03 -1.3309E+04  0.0000E+00  7.4712E+01  1.4420E+01  0.0000E+00
   1.170p -1.0197E+04  0.0000E+00  7.8491E+03 -4.5579E+04  1.3309E+04  0.0000E+00  0.0000E+00  4.0120E+04  0.0000E+00
   1.817m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5903E+00

  rolling -9.0955E+03  3.1361E+02 -1.1527E+04  1.7383E+03 -1.3361E+04  0.0000E+00  7.5549E+01  1.9487E+01  0.0000E+00
 averages -1.0111E+04  0.0000E+00  7.7065E+03 -4.5622E+04  1.3360E+04  0.0000E+00  0.0000E+00  3.9969E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4668E+00
 ------------------------------------------------------------------------------------------------------------------------
     1180 -9.0956E+03  3.0714E+02 -1.1483E+04  1.7402E+03 -1.3316E+04  0.0000E+00  7.4625E+01  1.7861E+01  0.0000E+00
   1.180p -1.0213E+04  0.0000E+00  7.8984E+03 -4.5553E+04  1.3315E+04  0.0000E+00  0.0000E+00  4.0137E+04  0.0000E+00
   1.831m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6125E+00

  rolling -9.0955E+03  3.1328E+02 -1.1526E+04  1.7344E+03 -1.3355E+04  0.0000E+00  7.5956E+01  1.9334E+01  0.0000E+00
 averages -1.0148E+04  0.0000E+00  7.8108E+03 -4.5556E+04  1.3354E+04  0.0000E+00  0.0000E+00  4.0013E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5216E+00
 ------------------------------------------------------------------------------------------------------------------------
     1190 -9.0956E+03  3.0913E+02 -1.1500E+04  1.7492E+03 -1.3341E+04  0.0000E+00  7.2723E+01  1.9938E+01  0.0000E+00
   1.190p -1.0073E+04  0.0000E+00  7.5068E+03 -4.5673E+04  1.3340E+04  0.0000E+00  0.0000E+00  3.9839E+04  0.0000E+00
   1.845m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4009E+00

  rolling -9.0955E+03  3.1277E+02 -1.1523E+04  1.7308E+03 -1.3349E+04  0.0000E+00  7.6623E+01  1.9287E+01  0.0000E+00
 averages -1.0172E+04  0.0000E+00  7.8733E+03 -4.5496E+04  1.3348E+04  0.0000E+00  0.0000E+00  4.0021E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5569E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.0555E+02 -1.1473E+04  1.7556E+03 -1.3321E+04  0.0000E+00  7.2190E+01  2.0657E+01  0.0000E+00
   1.200p -1.0085E+04  0.0000E+00  7.4840E+03 -4.5743E+04  1.3320E+04  0.0000E+00  0.0000E+00  3.9907E+04  0.0000E+00
   1.859m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4168E+00

  rolling -9.0955E+03  3.1180E+02 -1.1516E+04  1.7305E+03 -1.3342E+04  0.0000E+00  7.5889E+01  1.9424E+01  0.0000E+00
 averages -1.0172E+04  0.0000E+00  7.8553E+03 -4.5480E+04  1.3341E+04  0.0000E+00  0.0000E+00  3.9994E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5553E+00
 ------------------------------------------------------------------------------------------------------------------------
     1210 -9.0956E+03  3.0935E+02 -1.1503E+04  1.7643E+03 -1.3354E+04  0.0000E+00  7.0457E+01  1.6096E+01  0.0000E+00
   1.210p -1.0048E+04  0.0000E+00  7.4278E+03 -4.5855E+04  1.3353E+04  0.0000E+00  0.0000E+00  3.9930E+04  0.0000E+00
   1.873m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3596E+00

  rolling -9.0955E+03  3.1076E+02 -1.1509E+04  1.7346E+03 -1.3338E+04  0.0000E+00  7.5444E+01  1.8496E+01  0.0000E+00
 averages -1.0161E+04  0.0000E+00  7.8039E+03 -4.5519E+04  1.3336E+04  0.0000E+00  0.0000E+00  3.9987E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5375E+00
 ------------------------------------------------------------------------------------------------------------------------
     1220 -9.0955E+03  3.0877E+02 -1.1499E+04  1.7485E+03 -1.3341E+04  0.0000E+00  7.2775E+01  2.0082E+01  0.0000E+00
   1.220p -1.0181E+04  0.0000E+00  7.8170E+03 -4.5654E+04  1.3339E+04  0.0000E+00  0.0000E+00  4.0132E+04  0.0000E+00
   1.887m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5592E+00

  rolling -9.0955E+03  3.1009E+02 -1.1505E+04  1.7409E+03 -1.3339E+04  0.0000E+00  7.5114E+01  1.8058E+01  0.0000E+00
 averages -1.0136E+04  0.0000E+00  7.7157E+03 -4.5591E+04  1.3338E+04  0.0000E+00  0.0000E+00  3.9969E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4983E+00
 ------------------------------------------------------------------------------------------------------------------------
     1230 -9.0955E+03  3.1011E+02 -1.1510E+04  1.7487E+03 -1.3345E+04  0.0000E+00  7.0102E+01  1.6376E+01  0.0000E+00
   1.230p -1.0234E+04  0.0000E+00  7.9945E+03 -4.5672E+04  1.3342E+04  0.0000E+00  0.0000E+00  4.0324E+04  0.0000E+00
   1.901m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6381E+00

  rolling -9.0955E+03  3.0963E+02 -1.1502E+04  1.7439E+03 -1.3339E+04  0.0000E+00  7.5022E+01  1.7975E+01  0.0000E+00
 averages -1.0148E+04  0.0000E+00  7.7413E+03 -4.5621E+04  1.3338E+04  0.0000E+00  0.0000E+00  4.0024E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5147E+00
 ------------------------------------------------------------------------------------------------------------------------
     1240 -9.0954E+03  3.0776E+02 -1.1493E+04  1.7494E+03 -1.3338E+04  0.0000E+00  7.4641E+01  2.0749E+01  0.0000E+00
   1.240p -1.0064E+04  0.0000E+00  7.4447E+03 -4.5699E+04  1.3335E+04  0.0000E+00  0.0000E+00  3.9809E+04  0.0000E+00
   1.916m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3802E+00

  rolling -9.0955E+03  3.0946E+02 -1.1502E+04  1.7447E+03 -1.3339E+04  0.0000E+00  7.4683E+01  1.8065E+01  0.0000E+00
 averages -1.0156E+04  0.0000E+00  7.7606E+03 -4.5626E+04  1.3338E+04  0.0000E+00  0.0000E+00  4.0049E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5257E+00
 ------------------------------------------------------------------------------------------------------------------------
     1250 -9.0953E+03  3.0912E+02 -1.1504E+04  1.7662E+03 -1.3362E+04  0.0000E+00  7.4275E+01  1.7680E+01  0.0000E+00
   1.250p -1.0058E+04  0.0000E+00  7.4472E+03 -4.5924E+04  1.3358E+04  0.0000E+00  0.0000E+00  4.0013E+04  0.0000E+00
   1.930m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3711E+00

  rolling -9.0955E+03  3.0922E+02 -1.1501E+04  1.7463E+03 -1.3340E+04  0.0000E+00  7.4702E+01  1.8310E+01  0.0000E+00
 averages -1.0159E+04  0.0000E+00  7.7631E+03 -4.5643E+04  1.3338E+04  0.0000E+00  0.0000E+00  4.0067E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5288E+00
 ------------------------------------------------------------------------------------------------------------------------
     1260 -9.0953E+03  3.0845E+02 -1.1500E+04  1.7880E+03 -1.3379E+04  0.0000E+00  7.1172E+01  1.9403E+01  0.0000E+00
   1.260p -9.9658E+03  0.0000E+00  7.1572E+03 -4.6229E+04  1.3375E+04  0.0000E+00  0.0000E+00  4.0011E+04  0.0000E+00
   1.944m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2307E+00

  rolling -9.0955E+03  3.0851E+02 -1.1496E+04  1.7518E+03 -1.3340E+04  0.0000E+00  7.3174E+01  1.8197E+01  0.0000E+00
 averages -1.0130E+04  0.0000E+00  7.6631E+03 -4.5716E+04  1.3338E+04  0.0000E+00  0.0000E+00  4.0041E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4841E+00
 ------------------------------------------------------------------------------------------------------------------------
     1270 -9.0955E+03  3.1100E+02 -1.1520E+04  1.7982E+03 -1.3409E+04  0.0000E+00  7.2373E+01  1.8464E+01  0.0000E+00
   1.270p -1.0112E+04  0.0000E+00  7.6315E+03 -4.6362E+04  1.3407E+04  0.0000E+00  0.0000E+00  4.0586E+04  0.0000E+00
   1.958m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4492E+00

  rolling -9.0955E+03  3.0844E+02 -1.1497E+04  1.7580E+03 -1.3346E+04  0.0000E+00  7.2670E+01  1.8575E+01  0.0000E+00
 averages -1.0107E+04  0.0000E+00  7.5893E+03 -4.5798E+04  1.3344E+04  0.0000E+00  0.0000E+00  4.0044E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4476E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.1086E+02 -1.1520E+04  1.7934E+03 -1.3408E+04  0.0000E+00  7.4828E+01  1.9310E+01  0.0000E+00
   1.280p -1.0069E+04  0.0000E+00  7.4988E+03 -4.6315E+04  1.3406E+04  0.0000E+00  0.0000E+00  4.0408E+04  0.0000E+00
   1.972m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3837E+00

  rolling -9.0955E+03  3.0893E+02 -1.1501E+04  1.7638E+03 -1.3356E+04  0.0000E+00  7.2122E+01  1.8770E+01  0.0000E+00
 averages -1.0097E+04  0.0000E+00  7.5646E+03 -4.5879E+04  1.3354E+04  0.0000E+00  0.0000E+00  4.0090E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4314E+00
 ------------------------------------------------------------------------------------------------------------------------
     1290 -9.0955E+03  3.1278E+02 -1.1536E+04  1.7745E+03 -1.3408E+04  0.0000E+00  7.6295E+01  2.1391E+01  0.0000E+00
   1.290p -1.0113E+04  0.0000E+00  7.6581E+03 -4.6085E+04  1.3406E+04  0.0000E+00  0.0000E+00  4.0337E+04  0.0000E+00
   1.986m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4489E+00

  rolling -9.0955E+03  3.0927E+02 -1.1505E+04  1.7675E+03 -1.3363E+04  0.0000E+00  7.2306E+01  1.8980E+01  0.0000E+00
 averages -1.0092E+04  0.0000E+00  7.5512E+03 -4.5934E+04  1.3361E+04  0.0000E+00  0.0000E+00  4.0124E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4221E+00
 ------------------------------------------------------------------------------------------------------------------------
     1300 -9.0956E+03  3.1285E+02 -1.1537E+04  1.7735E+03 -1.3395E+04  0.0000E+00  6.4063E+01  1.9968E+01  0.0000E+00
   1.300p -1.0039E+04  0.0000E+00  7.4338E+03 -4.6080E+04  1.3394E+04  0.0000E+00  0.0000E+00  4.0119E+04  0.0000E+00
   2.000m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3358E+00

  rolling -9.0955E+03  3.0988E+02 -1.1510E+04  1.7694E+03 -1.3371E+04  0.0000E+00  7.2373E+01  1.8893E+01  0.0000E+00
 averages -1.0093E+04  0.0000E+00  7.5625E+03 -4.5968E+04  1.3368E+04  0.0000E+00  0.0000E+00  4.0162E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4231E+00
 ------------------------------------------------------------------------------------------------------------------------
     1310 -9.0954E+03  3.0669E+02 -1.1491E+04  1.7878E+03 -1.3369E+04  0.0000E+00  7.1704E+01  1.8261E+01  0.0000E+00
   1.310p -9.9283E+03  0.0000E+00  7.0048E+03 -4.6273E+04  1.3367E+04  0.0000E+00  0.0000E+00  3.9911E+04  0.0000E+00
   2.014m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1677E+00

  rolling -9.0955E+03  3.1006E+02 -1.1512E+04  1.7714E+03 -1.3375E+04  0.0000E+00  7.1656E+01  1.9121E+01  0.0000E+00
 averages -1.0082E+04  0.0000E+00  7.5288E+03 -4.6006E+04  1.3372E+04  0.0000E+00  0.0000E+00  4.0163E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4048E+00
 ------------------------------------------------------------------------------------------------------------------------
     1320 -9.0955E+03  3.1005E+02 -1.1517E+04  1.8046E+03 -1.3410E+04  0.0000E+00  7.2410E+01  1.5339E+01  0.0000E+00
   1.320p -1.0023E+04  0.0000E+00  7.3385E+03 -4.6482E+04  1.3409E+04  0.0000E+00  0.0000E+00  4.0412E+04  0.0000E+00
   2.028m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3094E+00

  rolling -9.0955E+03  3.1008E+02 -1.1513E+04  1.7752E+03 -1.3379E+04  0.0000E+00  7.1084E+01  1.8886E+01  0.0000E+00
 averages -1.0073E+04  0.0000E+00  7.4990E+03 -4.6066E+04  1.3376E+04  0.0000E+00  0.0000E+00  4.0188E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3898E+00
 ------------------------------------------------------------------------------------------------------------------------
     1330 -9.0955E+03  3.1150E+02 -1.1529E+04  1.8044E+03 -1.3424E+04  0.0000E+00  7.4163E+01  1.6153E+01  0.0000E+00
   1.330p -1.0058E+04  0.0000E+00  7.4622E+03 -4.6483E+04  1.3423E+04  0.0000E+00  0.0000E+00  4.0523E+04  0.0000E+00
   2.042m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3604E+00

  rolling -9.0955E+03  3.1027E+02 -1.1516E+04  1.7812E+03 -1.3387E+04  0.0000E+00  7.1094E+01  1.8673E+01  0.0000E+00
 averages -1.0053E+04  0.0000E+00  7.4405E+03 -4.6153E+04  1.3384E+04  0.0000E+00  0.0000E+00  4.0209E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3589E+00
 ------------------------------------------------------------------------------------------------------------------------
     1340 -9.0957E+03  3.1349E+02 -1.1546E+04  1.7734E+03 -1.3407E+04  0.0000E+00  7.3147E+01  1.4582E+01  0.0000E+00
   1.340p -1.0137E+04  0.0000E+00  7.7252E+03 -4.6089E+04  1.3407E+04  0.0000E+00  0.0000E+00  4.0407E+04  0.0000E+00
   2.056m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4771E+00

  rolling -9.0955E+03  3.1061E+02 -1.1519E+04  1.7853E+03 -1.3394E+04  0.0000E+00  7.1224E+01  1.8357E+01  0.0000E+00
 averages -1.0049E+04  0.0000E+00  7.4311E+03 -4.6214E+04  1.3392E+04  0.0000E+00  0.0000E+00  4.0253E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3517E+00
 ------------------------------------------------------------------------------------------------------------------------
     1350 -9.0957E+03  3.1539E+02 -1.1561E+04  1.7450E+03 -1.3392E+04  0.0000E+00  6.9715E+01  1.6626E+01  0.0000E+00
   1.350p -1.0311E+04  0.0000E+00  8.2729E+03 -4.5717E+04  1.3392E+04  0.0000E+00  0.0000E+00  4.0598E+04  0.0000E+00
   2.070m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7373E+00

  rolling -9.0955E+03  3.1115E+02 -1.1524E+04  1.7854E+03 -1.3399E+04  0.0000E+00  7.1342E+01  1.7938E+01  0.0000E+00
 averages -1.0064E+04  0.0000E+00  7.4818E+03 -4.6222E+04  1.3397E+04  0.0000E+00  0.0000E+00  4.0307E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3729E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.1620E+02 -1.1568E+04  1.7551E+03 -1.3408E+04  0.0000E+00  6.7378E+01  1.7428E+01  0.0000E+00
   1.360p -1.0176E+04  0.0000E+00  7.8788E+03 -4.5867E+04  1.3408E+04  0.0000E+00  0.0000E+00  4.0338E+04  0.0000E+00
   2.084m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5334E+00

  rolling -9.0955E+03  3.1174E+02 -1.1530E+04  1.7824E+03 -1.3402E+04  0.0000E+00  7.1893E+01  1.7857E+01  0.0000E+00
 averages -1.0087E+04  0.0000E+00  7.5571E+03 -4.6190E+04  1.3401E+04  0.0000E+00  0.0000E+00  4.0347E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4061E+00
 ------------------------------------------------------------------------------------------------------------------------
     1370 -9.0955E+03  3.0840E+02 -1.1509E+04  1.7658E+03 -1.3377E+04  0.0000E+00  8.1284E+01  2.0250E+01  0.0000E+00
   1.370p -1.0083E+04  0.0000E+00  7.4776E+03 -4.6013E+04  1.3377E+04  0.0000E+00  0.0000E+00  4.0114E+04  0.0000E+00
   2.099m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3918E+00

  rolling -9.0956E+03  3.1202E+02 -1.1533E+04  1.7792E+03 -1.3402E+04  0.0000E+00  7.1939E+01  1.7828E+01  0.0000E+00
 averages -1.0095E+04  0.0000E+00  7.5829E+03 -4.6156E+04  1.3401E+04  0.0000E+00  0.0000E+00  4.0338E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4169E+00
 ------------------------------------------------------------------------------------------------------------------------
     1380 -9.0955E+03  3.0873E+02 -1.1513E+04  1.7823E+03 -1.3378E+04  0.0000E+00  6.3703E+01  1.8987E+01  0.0000E+00
   1.380p -9.9896E+03  0.0000E+00  7.2004E+03 -4.6261E+04  1.3376E+04  0.0000E+00  0.0000E+00  4.0085E+04  0.0000E+00
   2.113m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2503E+00

  rolling -9.0956E+03  3.1168E+02 -1.1531E+04  1.7767E+03 -1.3397E+04  0.0000E+00  7.1928E+01  1.7925E+01  0.0000E+00
 averages -1.0089E+04  0.0000E+00  7.5576E+03 -4.6132E+04  1.3397E+04  0.0000E+00  0.0000E+00  4.0293E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4069E+00
 ------------------------------------------------------------------------------------------------------------------------
     1390 -9.0957E+03  3.1257E+02 -1.1543E+04  1.7762E+03 -1.3409E+04  0.0000E+00  6.9573E+01  2.0302E+01  0.0000E+00
   1.390p -1.0075E+04  0.0000E+00  7.5121E+03 -4.6178E+04  1.3408E+04  0.0000E+00  0.0000E+00  4.0282E+04  0.0000E+00
   2.126m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3773E+00

  rolling -9.0956E+03  3.1166E+02 -1.1532E+04  1.7766E+03 -1.3397E+04  0.0000E+00  7.0837E+01  1.7843E+01  0.0000E+00
 averages -1.0085E+04  0.0000E+00  7.5434E+03 -4.6138E+04  1.3396E+04  0.0000E+00  0.0000E+00  4.0286E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3999E+00
 ------------------------------------------------------------------------------------------------------------------------
     1400 -9.0957E+03  3.0962E+02 -1.1522E+04  1.7715E+03 -1.3369E+04  0.0000E+00  6.0046E+01  1.5286E+01  0.0000E+00
   1.400p -9.9512E+03  0.0000E+00  7.0927E+03 -4.6153E+04  1.3368E+04  0.0000E+00  0.0000E+00  3.9877E+04  0.0000E+00
   2.141m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1894E+00

  rolling -9.0956E+03  3.1142E+02 -1.1531E+04  1.7767E+03 -1.3395E+04  0.0000E+00  7.0311E+01  1.7482E+01  0.0000E+00
 averages -1.0081E+04  0.0000E+00  7.5228E+03 -4.6148E+04  1.3394E+04  0.0000E+00  0.0000E+00  4.0276E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3914E+00
 ------------------------------------------------------------------------------------------------------------------------
     1410 -9.0958E+03  3.1583E+02 -1.1570E+04  1.7589E+03 -1.3405E+04  0.0000E+00  5.9285E+01  1.6805E+01  0.0000E+00
   1.410p -1.0009E+04  0.0000E+00  7.3584E+03 -4.5993E+04  1.3405E+04  0.0000E+00  0.0000E+00  3.9947E+04  0.0000E+00
   2.155m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2752E+00

  rolling -9.0956E+03  3.1164E+02 -1.1533E+04  1.7753E+03 -1.3396E+04  0.0000E+00  6.9989E+01  1.7237E+01  0.0000E+00
 averages -1.0075E+04  0.0000E+00  7.5063E+03 -4.6140E+04  1.3395E+04  0.0000E+00  0.0000E+00  4.0251E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3814E+00
 ------------------------------------------------------------------------------------------------------------------------
     1420 -9.0958E+03  3.1400E+02 -1.1557E+04  1.7628E+03 -1.3404E+04  0.0000E+00  6.9244E+01  1.5052E+01  0.0000E+00
   1.420p -1.0067E+04  0.0000E+00  7.5012E+03 -4.6034E+04  1.3405E+04  0.0000E+00  0.0000E+00  4.0130E+04  0.0000E+00
   2.169m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3608E+00

  rolling -9.0956E+03  3.1237E+02 -1.1540E+04  1.7715E+03 -1.3398E+04  0.0000E+00  6.9997E+01  1.7065E+01  0.0000E+00
 averages -1.0084E+04  0.0000E+00  7.5425E+03 -4.6100E+04  1.3398E+04  0.0000E+00  0.0000E+00  4.0245E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3940E+00
 ------------------------------------------------------------------------------------------------------------------------
     1430 -9.0958E+03  3.0643E+02 -1.1500E+04  1.7877E+03 -1.3380E+04  0.0000E+00  7.1175E+01  2.1140E+01  0.0000E+00
   1.430p -9.9296E+03  0.0000E+00  6.9701E+03 -4.6349E+04  1.3383E+04  0.0000E+00  0.0000E+00  3.9936E+04  0.0000E+00
   2.183m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1523E+00

  rolling -9.0956E+03  3.1213E+02 -1.1539E+04  1.7688E+03 -1.3395E+04  0.0000E+00  6.9684E+01  1.7451E+01  0.0000E+00
 averages -1.0073E+04  0.0000E+00  7.5027E+03 -4.6074E+04  1.3395E+04  0.0000E+00  0.0000E+00  4.0182E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3758E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.0772E+02 -1.1511E+04  1.7968E+03 -1.3408E+04  0.0000E+00  8.1767E+01  1.8006E+01  0.0000E+00
   1.440p -1.0163E+04  0.0000E+00  7.6884E+03 -4.6442E+04  1.3410E+04  0.0000E+00  0.0000E+00  4.0721E+04  0.0000E+00
   2.197m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5028E+00

  rolling -9.0957E+03  3.1150E+02 -1.1535E+04  1.7690E+03 -1.3392E+04  0.0000E+00  7.0277E+01  1.7778E+01  0.0000E+00
 averages -1.0071E+04  0.0000E+00  7.4820E+03 -4.6083E+04  1.3392E+04  0.0000E+00  0.0000E+00  4.0173E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3703E+00
 ------------------------------------------------------------------------------------------------------------------------
     1450 -9.0955E+03  3.0696E+02 -1.1506E+04  1.8213E+03 -1.3433E+04  0.0000E+00  8.1787E+01  2.3947E+01  0.0000E+00
   1.450p -1.0041E+04  0.0000E+00  7.3068E+03 -4.6782E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0656E+04  0.0000E+00
   2.211m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3172E+00

  rolling -9.0957E+03  3.1096E+02 -1.1532E+04  1.7746E+03 -1.3395E+04  0.0000E+00  7.0415E+01  1.8433E+01  0.0000E+00
 averages -1.0059E+04  0.0000E+00  7.4370E+03 -4.6162E+04  1.3396E+04  0.0000E+00  0.0000E+00  4.0203E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3519E+00
 ------------------------------------------------------------------------------------------------------------------------
     1460 -9.0956E+03  3.0936E+02 -1.1525E+04  1.8052E+03 -1.3426E+04  0.0000E+00  7.7408E+01  1.7966E+01  0.0000E+00
   1.460p -1.0156E+04  0.0000E+00  7.6855E+03 -4.6554E+04  1.3426E+04  0.0000E+00  0.0000E+00  4.0814E+04  0.0000E+00
   2.225m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4888E+00

  rolling -9.0957E+03  3.1021E+02 -1.1527E+04  1.7810E+03 -1.3398E+04  0.0000E+00  7.1010E+01  1.8753E+01  0.0000E+00
 averages -1.0046E+04  0.0000E+00  7.3822E+03 -4.6251E+04  1.3398E+04  0.0000E+00  0.0000E+00  4.0235E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3301E+00
 ------------------------------------------------------------------------------------------------------------------------
     1470 -9.0958E+03  3.0993E+02 -1.1531E+04  1.7917E+03 -1.3412E+04  0.0000E+00  6.8768E+01  2.0859E+01  0.0000E+00
   1.470p -9.9407E+03  0.0000E+00  7.0454E+03 -4.6402E+04  1.3413E+04  0.0000E+00  0.0000E+00  4.0035E+04  0.0000E+00
   2.240m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1633E+00

  rolling -9.0957E+03  3.0994E+02 -1.1526E+04  1.7845E+03 -1.3401E+04  0.0000E+00  7.1390E+01  1.8861E+01  0.0000E+00
 averages -1.0038E+04  0.0000E+00  7.3526E+03 -4.6301E+04  1.3401E+04  0.0000E+00  0.0000E+00  4.0252E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3174E+00
 ------------------------------------------------------------------------------------------------------------------------
     1480 -9.0957E+03  3.0611E+02 -1.1503E+04  1.7896E+03 -1.3375E+04  0.0000E+00  6.5432E+01  1.7262E+01  0.0000E+00
   1.480p -9.7668E+03  0.0000E+00  6.4628E+03 -4.6392E+04  1.3376E+04  0.0000E+00  0.0000E+00  3.9479E+04  0.0000E+00
   2.254m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.0031E-01

  rolling -9.0957E+03  3.0997E+02 -1.1527E+04  1.7862E+03 -1.3403E+04  0.0000E+00  7.0298E+01  1.8750E+01  0.0000E+00
 averages -1.0018E+04  0.0000E+00  7.2882E+03 -4.6327E+04  1.3403E+04  0.0000E+00  0.0000E+00  4.0212E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2848E+00
 ------------------------------------------------------------------------------------------------------------------------
     1490 -9.0958E+03  3.1088E+02 -1.1540E+04  1.7922E+03 -1.3420E+04  0.0000E+00  6.8582E+01  1.8965E+01  0.0000E+00
   1.490p -9.7776E+03  0.0000E+00  6.5648E+03 -4.6431E+04  1.3422E+04  0.0000E+00  0.0000E+00  3.9574E+04  0.0000E+00
   2.268m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.1498E-01

  rolling -9.0957E+03  3.0968E+02 -1.1526E+04  1.7872E+03 -1.3402E+04  0.0000E+00  7.0413E+01  1.8587E+01  0.0000E+00
 averages -9.9913E+03  0.0000E+00  7.2022E+03 -4.6343E+04  1.3403E+04  0.0000E+00  0.0000E+00  4.0142E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2439E+00
 ------------------------------------------------------------------------------------------------------------------------
     1500 -9.0958E+03  3.1243E+02 -1.1553E+04  1.7998E+03 -1.3440E+04  0.0000E+00  6.4739E+01  2.2756E+01  0.0000E+00
   1.500p -9.8047E+03  0.0000E+00  6.6672E+03 -4.6529E+04  1.3441E+04  0.0000E+00  0.0000E+00  3.9755E+04  0.0000E+00
   2.283m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.5449E-01

  rolling -9.0957E+03  3.0983E+02 -1.1528E+04  1.7895E+03 -1.3407E+04  0.0000E+00  7.0097E+01  1.8908E+01  0.0000E+00
 averages -9.9652E+03  0.0000E+00  7.1230E+03 -4.6377E+04  1.3408E+04  0.0000E+00  0.0000E+00  4.0092E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2030E+00
 ------------------------------------------------------------------------------------------------------------------------
     1510 -9.0958E+03  3.0968E+02 -1.1533E+04  1.7869E+03 -1.3422E+04  0.0000E+00  7.8348E+01  2.3662E+01  0.0000E+00
   1.510p -1.0066E+04  0.0000E+00  7.4072E+03 -4.6331E+04  1.3424E+04  0.0000E+00  0.0000E+00  4.0314E+04  0.0000E+00
   2.296m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3467E+00

  rolling -9.0957E+03  3.0992E+02 -1.1530E+04  1.7919E+03 -1.3412E+04  0.0000E+00  7.0680E+01  1.9687E+01  0.0000E+00
 averages -9.9707E+03  0.0000E+00  7.1380E+03 -4.6406E+04  1.3413E+04  0.0000E+00  0.0000E+00  4.0131E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2098E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0959E+03  3.0855E+02 -1.1525E+04  1.7969E+03 -1.3416E+04  0.0000E+00  7.4167E+01  1.9540E+01  0.0000E+00
   1.520p -9.9726E+03  0.0000E+00  7.1053E+03 -4.6481E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0168E+04  0.0000E+00
   2.310m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2039E+00

  rolling -9.0958E+03  3.0910E+02 -1.1525E+04  1.7952E+03 -1.3412E+04  0.0000E+00  7.1544E+01  2.0239E+01  0.0000E+00
 averages -9.9670E+03  0.0000E+00  7.1115E+03 -4.6448E+04  1.3413E+04  0.0000E+00  0.0000E+00  4.0147E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2028E+00
 ------------------------------------------------------------------------------------------------------------------------
     1530 -9.0960E+03  3.0995E+02 -1.1537E+04  1.8018E+03 -1.3431E+04  0.0000E+00  7.2227E+01  1.9570E+01  0.0000E+00
   1.530p -1.0022E+04  0.0000E+00  7.2720E+03 -4.6532E+04  1.3432E+04  0.0000E+00  0.0000E+00  4.0372E+04  0.0000E+00
   2.325m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2768E+00

  rolling -9.0958E+03  3.0923E+02 -1.1527E+04  1.7974E+03 -1.3416E+04  0.0000E+00  7.1909E+01  2.0317E+01  0.0000E+00
 averages -9.9716E+03  0.0000E+00  7.1244E+03 -4.6477E+04  1.3418E+04  0.0000E+00  0.0000E+00  4.0183E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2083E+00
 ------------------------------------------------------------------------------------------------------------------------
     1540 -9.0959E+03  3.0839E+02 -1.1526E+04  1.8005E+03 -1.3416E+04  0.0000E+00  6.8510E+01  2.1041E+01  0.0000E+00
   1.540p -9.9449E+03  0.0000E+00  7.0142E+03 -4.6515E+04  1.3417E+04  0.0000E+00  0.0000E+00  4.0112E+04  0.0000E+00
   2.339m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1594E+00

  rolling -9.0958E+03  3.0936E+02 -1.1529E+04  1.7983E+03 -1.3419E+04  0.0000E+00  7.1517E+01  2.0385E+01  0.0000E+00
 averages -9.9645E+03  0.0000E+00  7.1024E+03 -4.6490E+04  1.3420E+04  0.0000E+00  0.0000E+00  4.0172E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1962E+00
 ------------------------------------------------------------------------------------------------------------------------
     1550 -9.0958E+03  3.1258E+02 -1.1559E+04  1.7917E+03 -1.3446E+04  0.0000E+00  7.5113E+01  2.0711E+01  0.0000E+00
   1.550p -1.0104E+04  0.0000E+00  7.5515E+03 -4.6402E+04  1.3446E+04  0.0000E+00  0.0000E+00  4.0507E+04  0.0000E+00
   2.353m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3969E+00

  rolling -9.0958E+03  3.0944E+02 -1.1530E+04  1.7969E+03 -1.3419E+04  0.0000E+00  7.1730E+01  2.0441E+01  0.0000E+00
 averages -9.9505E+03  0.0000E+00  7.0586E+03 -4.6474E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0112E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1737E+00
 ------------------------------------------------------------------------------------------------------------------------
     1560 -9.0960E+03  3.1950E+02 -1.1613E+04  1.7914E+03 -1.3506E+04  0.0000E+00  8.6685E+01  1.5525E+01  0.0000E+00
   1.560p -1.0185E+04  0.0000E+00  7.8995E+03 -4.6393E+04  1.3506E+04  0.0000E+00  0.0000E+00  4.0786E+04  0.0000E+00
   2.367m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5186E+00

  rolling -9.0958E+03  3.1033E+02 -1.1538E+04  1.7945E+03 -1.3425E+04  0.0000E+00  7.2155E+01  2.0074E+01  0.0000E+00
 averages -9.9595E+03  0.0000E+00  7.0963E+03 -4.6443E+04  1.3426E+04  0.0000E+00  0.0000E+00  4.0114E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1858E+00
 ------------------------------------------------------------------------------------------------------------------------
     1570 -9.0958E+03  3.1087E+02 -1.1548E+04  1.8012E+03 -1.3443E+04  0.0000E+00  7.4780E+01  1.9355E+01  0.0000E+00
   1.570p -1.0074E+04  0.0000E+00  7.4325E+03 -4.6531E+04  1.3443E+04  0.0000E+00  0.0000E+00  4.0521E+04  0.0000E+00
   2.381m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3503E+00

  rolling -9.0959E+03  3.1091E+02 -1.1543E+04  1.7948E+03 -1.3430E+04  0.0000E+00  7.2371E+01  1.9807E+01  0.0000E+00
 averages -9.9648E+03  0.0000E+00  7.1181E+03 -4.6449E+04  1.3431E+04  0.0000E+00  0.0000E+00  4.0136E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1923E+00
 ------------------------------------------------------------------------------------------------------------------------
     1580 -9.0958E+03  3.0995E+02 -1.1542E+04  1.7945E+03 -1.3438E+04  0.0000E+00  7.6040E+01  2.5863E+01  0.0000E+00
   1.580p -1.0072E+04  0.0000E+00  7.4085E+03 -4.6440E+04  1.3437E+04  0.0000E+00  0.0000E+00  4.0412E+04  0.0000E+00
   2.395m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3453E+00

  rolling -9.0959E+03  3.1103E+02 -1.1545E+04  1.7955E+03 -1.3434E+04  0.0000E+00  7.3723E+01  2.0230E+01  0.0000E+00
 averages -9.9915E+03  0.0000E+00  7.1971E+03 -4.6456E+04  1.3436E+04  0.0000E+00  0.0000E+00  4.0217E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2310E+00
 ------------------------------------------------------------------------------------------------------------------------
     1590 -9.0957E+03  3.1036E+02 -1.1546E+04  1.7961E+03 -1.3434E+04  0.0000E+00  6.5946E+01  2.6821E+01  0.0000E+00
   1.590p -9.8488E+03  0.0000E+00  6.7420E+03 -4.6493E+04  1.3433E+04  0.0000E+00  0.0000E+00  3.9802E+04  0.0000E+00
   2.409m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0078E+00

  rolling -9.0959E+03  3.1129E+02 -1.1548E+04  1.7961E+03 -1.3439E+04  0.0000E+00  7.3863E+01  2.1131E+01  0.0000E+00
 averages -1.0008E+04  0.0000E+00  7.2465E+03 -4.6464E+04  1.3440E+04  0.0000E+00  0.0000E+00  4.0271E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2538E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.1013E+02 -1.1545E+04  1.8066E+03 -1.3441E+04  0.0000E+00  6.5681E+01  2.3423E+01  0.0000E+00
   1.600p -9.8570E+03  0.0000E+00  6.7597E+03 -4.6623E+04  1.3440E+04  0.0000E+00  0.0000E+00  3.9943E+04  0.0000E+00
   2.423m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0184E+00

  rolling -9.0958E+03  3.1096E+02 -1.1546E+04  1.7965E+03 -1.3439E+04  0.0000E+00  7.4382E+01  2.1606E+01  0.0000E+00
 averages -1.0013E+04  0.0000E+00  7.2557E+03 -4.6470E+04  1.3440E+04  0.0000E+00  0.0000E+00  4.0286E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2610E+00
 ------------------------------------------------------------------------------------------------------------------------
     1610 -9.0958E+03  3.0856E+02 -1.1534E+04  1.8393E+03 -1.3459E+04  0.0000E+00  6.3003E+01  2.2229E+01  0.0000E+00
   1.610p -9.7251E+03  0.0000E+00  6.3373E+03 -4.7063E+04  1.3458E+04  0.0000E+00  0.0000E+00  3.9942E+04  0.0000E+00
   2.437m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.1854E-01

  rolling -9.0958E+03  3.1072E+02 -1.1546E+04  1.7998E+03 -1.3441E+04  0.0000E+00  7.4040E+01  2.1418E+01  0.0000E+00
 averages -9.9951E+03  0.0000E+00  7.1946E+03 -4.6516E+04  1.3441E+04  0.0000E+00  0.0000E+00  4.0270E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2321E+00
 ------------------------------------------------------------------------------------------------------------------------
     1620 -9.0958E+03  3.0794E+02 -1.1530E+04  1.8607E+03 -1.3485E+04  0.0000E+00  7.0294E+01  2.3372E+01  0.0000E+00
   1.620p -9.7962E+03  0.0000E+00  6.5381E+03 -4.7341E+04  1.3484E+04  0.0000E+00  0.0000E+00  4.0396E+04  0.0000E+00
   2.451m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.2403E-01

  rolling -9.0958E+03  3.1064E+02 -1.1546E+04  1.8058E+03 -1.3447E+04  0.0000E+00  7.3264E+01  2.1682E+01  0.0000E+00
 averages -9.9657E+03  0.0000E+00  7.1022E+03 -4.6599E+04  1.3447E+04  0.0000E+00  0.0000E+00  4.0255E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1864E+00
 ------------------------------------------------------------------------------------------------------------------------
     1630 -9.0959E+03  3.1145E+02 -1.1558E+04  1.8546E+03 -1.3507E+04  0.0000E+00  7.5410E+01  1.9357E+01  0.0000E+00
   1.630p -9.9200E+03  0.0000E+00  6.9599E+03 -4.7258E+04  1.3506E+04  0.0000E+00  0.0000E+00  4.0712E+04  0.0000E+00
   2.465m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1088E+00

  rolling -9.0958E+03  3.1060E+02 -1.1547E+04  1.8118E+03 -1.3454E+04  0.0000E+00  7.3602E+01  2.1808E+01  0.0000E+00
 averages -9.9534E+03  0.0000E+00  7.0620E+03 -4.6680E+04  1.3453E+04  0.0000E+00  0.0000E+00  4.0288E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1665E+00
 ------------------------------------------------------------------------------------------------------------------------
     1640 -9.0957E+03  3.0712E+02 -1.1526E+04  1.8121E+03 -1.3443E+04  0.0000E+00  8.3518E+01  2.1221E+01  0.0000E+00
   1.640p -1.0026E+04  0.0000E+00  7.2080E+03 -4.6704E+04  1.3442E+04  0.0000E+00  0.0000E+00  4.0470E+04  0.0000E+00
   2.479m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2663E+00

  rolling -9.0958E+03  3.1081E+02 -1.1549E+04  1.8149E+03 -1.3460E+04  0.0000E+00  7.3922E+01  2.1884E+01  0.0000E+00
 averages -9.9537E+03  0.0000E+00  7.0632E+03 -4.6725E+04  1.3459E+04  0.0000E+00  0.0000E+00  4.0328E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1655E+00
 ------------------------------------------------------------------------------------------------------------------------
     1650 -9.0959E+03  3.0752E+02 -1.1530E+04  1.7777E+03 -1.3392E+04  0.0000E+00  6.7284E+01  1.6778E+01  0.0000E+00
   1.650p -1.0148E+04  0.0000E+00  7.5773E+03 -4.6251E+04  1.3392E+04  0.0000E+00  0.0000E+00  4.0437E+04  0.0000E+00
   2.493m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4486E+00

  rolling -9.0958E+03  3.1048E+02 -1.1548E+04  1.8143E+03 -1.3457E+04  0.0000E+00  7.3974E+01  2.1500E+01  0.0000E+00
 averages -9.9651E+03  0.0000E+00  7.0893E+03 -4.6720E+04  1.3457E+04  0.0000E+00  0.0000E+00  4.0352E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1811E+00
 ------------------------------------------------------------------------------------------------------------------------
     1660 -9.0958E+03  3.0777E+02 -1.1533E+04  1.7571E+03 -1.3391E+04  0.0000E+00  7.6554E+01  2.4958E+01  0.0000E+00
   1.660p -1.0114E+04  0.0000E+00  7.4777E+03 -4.5987E+04  1.3391E+04  0.0000E+00  0.0000E+00  4.0074E+04  0.0000E+00
   2.508m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3966E+00

  rolling -9.0958E+03  3.0961E+02 -1.1542E+04  1.8119E+03 -1.3449E+04  0.0000E+00  7.3041E+01  2.1928E+01  0.0000E+00
 averages -9.9579E+03  0.0000E+00  7.0517E+03 -4.6692E+04  1.3448E+04  0.0000E+00  0.0000E+00  4.0296E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1689E+00
 ------------------------------------------------------------------------------------------------------------------------
     1670 -9.0956E+03  3.0405E+02 -1.1505E+04  1.7551E+03 -1.3360E+04  0.0000E+00  7.7244E+01  2.2199E+01  0.0000E+00
   1.670p -1.0125E+04  0.0000E+00  7.4521E+03 -4.5957E+04  1.3360E+04  0.0000E+00  0.0000E+00  4.0049E+04  0.0000E+00
   2.522m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4123E+00

  rolling -9.0958E+03  3.0855E+02 -1.1535E+04  1.8076E+03 -1.3438E+04  0.0000E+00  7.2654E+01  2.2599E+01  0.0000E+00
 averages -9.9589E+03  0.0000E+00  7.0355E+03 -4.6640E+04  1.3437E+04  0.0000E+00  0.0000E+00  4.0238E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1689E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.1112E+02 -1.1560E+04  1.7526E+03 -1.3411E+04  0.0000E+00  7.2976E+01  2.5199E+01  0.0000E+00
   1.680p -1.0131E+04  0.0000E+00  7.5731E+03 -4.5923E+04  1.3412E+04  0.0000E+00  0.0000E+00  4.0084E+04  0.0000E+00
   2.536m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4190E+00

  rolling -9.0958E+03  3.0855E+02 -1.1536E+04  1.8031E+03 -1.3434E+04  0.0000E+00  7.2159E+01  2.2648E+01  0.0000E+00
 averages -9.9643E+03  0.0000E+00  7.0489E+03 -4.6584E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0200E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1757E+00
 ------------------------------------------------------------------------------------------------------------------------
     1690 -9.0957E+03  3.0607E+02 -1.1522E+04  1.7586E+03 -1.3376E+04  0.0000E+00  7.4506E+01  2.0430E+01  0.0000E+00
   1.690p -1.0174E+04  0.0000E+00  7.6240E+03 -4.5984E+04  1.3376E+04  0.0000E+00  0.0000E+00  4.0232E+04  0.0000E+00
   2.550m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4831E+00

  rolling -9.0958E+03  3.0841E+02 -1.1536E+04  1.7990E+03 -1.3429E+04  0.0000E+00  7.2418E+01  2.2224E+01  0.0000E+00
 averages -9.9851E+03  0.0000E+00  7.1063E+03 -4.6531E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0208E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2055E+00
 ------------------------------------------------------------------------------------------------------------------------
     1700 -9.0957E+03  3.0342E+02 -1.1503E+04  1.7570E+03 -1.3356E+04  0.0000E+00  7.2158E+01  2.3480E+01  0.0000E+00
   1.700p -1.0097E+04  0.0000E+00  7.3492E+03 -4.5961E+04  1.3356E+04  0.0000E+00  0.0000E+00  3.9954E+04  0.0000E+00
   2.564m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3655E+00

  rolling -9.0958E+03  3.0778E+02 -1.1532E+04  1.7948E+03 -1.3422E+04  0.0000E+00  7.3159E+01  2.1889E+01  0.0000E+00
 averages -1.0015E+04  0.0000E+00  7.1820E+03 -4.6473E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0234E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2483E+00
 ------------------------------------------------------------------------------------------------------------------------
     1710 -9.0960E+03  3.1131E+02 -1.1564E+04  1.7373E+03 -1.3388E+04  0.0000E+00  6.8018E+01  1.8399E+01  0.0000E+00
   1.710p -1.0235E+04  0.0000E+00  7.8803E+03 -4.5714E+04  1.3389E+04  0.0000E+00  0.0000E+00  4.0205E+04  0.0000E+00
   2.578m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5716E+00

  rolling -9.0958E+03  3.0765E+02 -1.1532E+04  1.7870E+03 -1.3414E+04  0.0000E+00  7.3744E+01  2.1766E+01  0.0000E+00
 averages -1.0052E+04  0.0000E+00  7.2883E+03 -4.6371E+04  1.3414E+04  0.0000E+00  0.0000E+00  4.0245E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3026E+00
 ------------------------------------------------------------------------------------------------------------------------
     1720 -9.0956E+03  3.0497E+02 -1.1517E+04  1.7333E+03 -1.3335E+04  0.0000E+00  6.5777E+01  1.9278E+01  0.0000E+00
   1.720p -1.0176E+04  0.0000E+00  7.6053E+03 -4.5664E+04  1.3335E+04  0.0000E+00  0.0000E+00  3.9934E+04  0.0000E+00
   2.593m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4821E+00

  rolling -9.0958E+03  3.0769E+02 -1.1533E+04  1.7753E+03 -1.3403E+04  0.0000E+00  7.3368E+01  2.1256E+01  0.0000E+00
 averages -1.0099E+04  0.0000E+00  7.4298E+03 -4.6216E+04  1.3403E+04  0.0000E+00  0.0000E+00  4.0243E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3733E+00
 ------------------------------------------------------------------------------------------------------------------------
     1730 -9.0958E+03  3.0912E+02 -1.1549E+04  1.7174E+03 -1.3365E+04  0.0000E+00  7.7855E+01  2.0893E+01  0.0000E+00
   1.730p -1.0282E+04  0.0000E+00  7.9836E+03 -4.5457E+04  1.3366E+04  0.0000E+00  0.0000E+00  4.0075E+04  0.0000E+00
   2.607m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6402E+00

  rolling -9.0958E+03  3.0741E+02 -1.1532E+04  1.7619E+03 -1.3388E+04  0.0000E+00  7.2802E+01  2.1168E+01  0.0000E+00
 averages -1.0134E+04  0.0000E+00  7.5257E+03 -4.6040E+04  1.3388E+04  0.0000E+00  0.0000E+00  4.0178E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4235E+00
 ------------------------------------------------------------------------------------------------------------------------
     1740 -9.0958E+03  3.1207E+02 -1.1572E+04  1.7138E+03 -1.3381E+04  0.0000E+00  7.3183E+01  2.1517E+01  0.0000E+00
   1.740p -1.0290E+04  0.0000E+00  8.0491E+03 -4.5433E+04  1.3381E+04  0.0000E+00  0.0000E+00  4.0102E+04  0.0000E+00
   2.621m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6504E+00

  rolling -9.0958E+03  3.0754E+02 -1.1534E+04  1.7498E+03 -1.3378E+04  0.0000E+00  7.2729E+01  2.1319E+01  0.0000E+00
 averages -1.0168E+04  0.0000E+00  7.6283E+03 -4.5881E+04  1.3378E+04  0.0000E+00  0.0000E+00  4.0132E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4740E+00
 ------------------------------------------------------------------------------------------------------------------------
     1750 -9.0960E+03  3.1287E+02 -1.1580E+04  1.7188E+03 -1.3385E+04  0.0000E+00  6.8774E+01  1.7587E+01  0.0000E+00
   1.750p -1.0224E+04  0.0000E+00  7.8603E+03 -4.5500E+04  1.3387E+04  0.0000E+00  0.0000E+00  3.9974E+04  0.0000E+00
   2.635m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5496E+00

  rolling -9.0958E+03  3.0821E+02 -1.1540E+04  1.7424E+03 -1.3375E+04  0.0000E+00  7.1741E+01  2.1344E+01  0.0000E+00
 averages -1.0182E+04  0.0000E+00  7.6768E+03 -4.5787E+04  1.3375E+04  0.0000E+00  0.0000E+00  4.0088E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4932E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.1149E+02 -1.1570E+04  1.7349E+03 -1.3391E+04  0.0000E+00  6.9662E+01  1.6620E+01  0.0000E+00
   1.760p -1.0194E+04  0.0000E+00  7.7477E+03 -4.5716E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0073E+04  0.0000E+00
   2.649m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5037E+00

  rolling -9.0958E+03  3.0849E+02 -1.1543E+04  1.7386E+03 -1.3374E+04  0.0000E+00  7.2078E+01  2.1038E+01  0.0000E+00
 averages -1.0190E+04  0.0000E+00  7.7040E+03 -4.5739E+04  1.3375E+04  0.0000E+00  0.0000E+00  4.0068E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5047E+00
 ------------------------------------------------------------------------------------------------------------------------
     1770 -9.0958E+03  3.0947E+02 -1.1555E+04  1.7696E+03 -1.3413E+04  0.0000E+00  7.2197E+01  1.6195E+01  0.0000E+00
   1.770p -1.0139E+04  0.0000E+00  7.5503E+03 -4.6184E+04  1.3413E+04  0.0000E+00  0.0000E+00  4.0322E+04  0.0000E+00
   2.663m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4201E+00

  rolling -9.0958E+03  3.0898E+02 -1.1547E+04  1.7384E+03 -1.3378E+04  0.0000E+00  7.1893E+01  2.0103E+01  0.0000E+00
 averages -1.0192E+04  0.0000E+00  7.7152E+03 -4.5740E+04  1.3378E+04  0.0000E+00  0.0000E+00  4.0077E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5066E+00
 ------------------------------------------------------------------------------------------------------------------------
     1780 -9.0957E+03  3.0849E+02 -1.1548E+04  1.8013E+03 -1.3459E+04  0.0000E+00  8.4803E+01  2.4482E+01  0.0000E+00
   1.780p -1.0072E+04  0.0000E+00  7.3328E+03 -4.6617E+04  1.3458E+04  0.0000E+00  0.0000E+00  4.0492E+04  0.0000E+00
   2.678m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3185E+00

  rolling -9.0958E+03  3.0896E+02 -1.1548E+04  1.7418E+03 -1.3383E+04  0.0000E+00  7.2847E+01  1.9982E+01  0.0000E+00
 averages -1.0191E+04  0.0000E+00  7.7092E+03 -4.5789E+04  1.3383E+04  0.0000E+00  0.0000E+00  4.0115E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5037E+00
 ------------------------------------------------------------------------------------------------------------------------
     1790 -9.0957E+03  3.1190E+02 -1.1575E+04  1.8197E+03 -1.3488E+04  0.0000E+00  7.6063E+01  1.7010E+01  0.0000E+00
   1.790p -9.9179E+03  0.0000E+00  6.9190E+03 -4.6895E+04  1.3488E+04  0.0000E+00  0.0000E+00  4.0326E+04  0.0000E+00
   2.692m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0848E+00

  rolling -9.0958E+03  3.0893E+02 -1.1549E+04  1.7480E+03 -1.3390E+04  0.0000E+00  7.3711E+01  1.9697E+01  0.0000E+00
 averages -1.0171E+04  0.0000E+00  7.6456E+03 -4.5878E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0133E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4721E+00
 ------------------------------------------------------------------------------------------------------------------------
     1800 -9.0959E+03  3.1944E+02 -1.1634E+04  1.8074E+03 -1.3530E+04  0.0000E+00  7.1734E+01  1.7363E+01  0.0000E+00
   1.800p -1.0009E+04  0.0000E+00  7.3033E+03 -4.6757E+04  1.3530E+04  0.0000E+00  0.0000E+00  4.0530E+04  0.0000E+00
   2.706m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2199E+00

  rolling -9.0958E+03  3.1033E+02 -1.1560E+04  1.7532E+03 -1.3406E+04  0.0000E+00  7.3588E+01  1.9262E+01  0.0000E+00
 averages -1.0158E+04  0.0000E+00  7.6261E+03 -4.5959E+04  1.3406E+04  0.0000E+00  0.0000E+00  4.0179E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4516E+00
 ------------------------------------------------------------------------------------------------------------------------
     1810 -9.0957E+03  3.1232E+02 -1.1580E+04  1.8178E+03 -1.3483E+04  0.0000E+00  6.9387E+01  1.5870E+01  0.0000E+00
   1.810p -9.8307E+03  0.0000E+00  6.6582E+03 -4.6919E+04  1.3483E+04  0.0000E+00  0.0000E+00  4.0095E+04  0.0000E+00
   2.721m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.5078E-01

  rolling -9.0958E+03  3.1108E+02 -1.1567E+04  1.7598E+03 -1.3419E+04  0.0000E+00  7.3625E+01  1.8713E+01  0.0000E+00
 averages -1.0133E+04  0.0000E+00  7.5588E+03 -4.6060E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0200E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4121E+00
 ------------------------------------------------------------------------------------------------------------------------
     1820 -9.0957E+03  3.1370E+02 -1.1592E+04  1.8374E+03 -1.3518E+04  0.0000E+00  6.9482E+01  1.9194E+01  0.0000E+00
   1.820p -9.9217E+03  0.0000E+00  6.9493E+03 -4.7176E+04  1.3517E+04  0.0000E+00  0.0000E+00  4.0608E+04  0.0000E+00
   2.735m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0863E+00

  rolling -9.0958E+03  3.1140E+02 -1.1570E+04  1.7692E+03 -1.3433E+04  0.0000E+00  7.4625E+01  1.8773E+01  0.0000E+00
 averages -1.0097E+04  0.0000E+00  7.4519E+03 -4.6199E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0218E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3560E+00
 ------------------------------------------------------------------------------------------------------------------------
     1830 -9.0958E+03  3.1766E+02 -1.1623E+04  1.8521E+03 -1.3561E+04  0.0000E+00  6.7745E+01  1.8507E+01  0.0000E+00
   1.830p -9.8527E+03  0.0000E+00  6.7998E+03 -4.7381E+04  1.3561E+04  0.0000E+00  0.0000E+00  4.0620E+04  0.0000E+00
   2.748m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.8101E-01

  rolling -9.0957E+03  3.1234E+02 -1.1578E+04  1.7813E+03 -1.3452E+04  0.0000E+00  7.4368E+01  1.8531E+01  0.0000E+00
 averages -1.0065E+04  0.0000E+00  7.3698E+03 -4.6373E+04  1.3452E+04  0.0000E+00  0.0000E+00  4.0291E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3076E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.1832E+02 -1.1629E+04  1.8606E+03 -1.3584E+04  0.0000E+00  7.4551E+01  1.9294E+01  0.0000E+00
   1.840p -9.8133E+03  0.0000E+00  6.6884E+03 -4.7488E+04  1.3583E+04  0.0000E+00  0.0000E+00  4.0593E+04  0.0000E+00
   2.763m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.2005E-01

  rolling -9.0957E+03  3.1303E+02 -1.1584E+04  1.7958E+03 -1.3472E+04  0.0000E+00  7.4079E+01  1.8377E+01  0.0000E+00
 averages -1.0013E+04  0.0000E+00  7.2194E+03 -4.6577E+04  1.3472E+04  0.0000E+00  0.0000E+00  4.0324E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2269E+00
 ------------------------------------------------------------------------------------------------------------------------
     1850 -9.0955E+03  3.1214E+02 -1.1583E+04  1.8772E+03 -1.3560E+04  0.0000E+00  8.0757E+01  1.9132E+01  0.0000E+00
   1.850p -9.7465E+03  0.0000E+00  6.3917E+03 -4.7679E+04  1.3559E+04  0.0000E+00  0.0000E+00  4.0512E+04  0.0000E+00
   2.777m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.1844E-01

  rolling -9.0957E+03  3.1330E+02 -1.1587E+04  1.8109E+03 -1.3491E+04  0.0000E+00  7.4641E+01  1.8269E+01  0.0000E+00
 averages -9.9680E+03  0.0000E+00  7.0871E+03 -4.6787E+04  1.3491E+04  0.0000E+00  0.0000E+00  4.0383E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1585E+00
 ------------------------------------------------------------------------------------------------------------------------
     1860 -9.0956E+03  3.1498E+02 -1.1606E+04  1.8932E+03 -1.3598E+04  0.0000E+00  7.8305E+01  2.1121E+01  0.0000E+00
   1.860p -9.7350E+03  0.0000E+00  6.3968E+03 -4.7844E+04  1.3598E+04  0.0000E+00  0.0000E+00  4.0643E+04  0.0000E+00
   2.791m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.9931E-01

  rolling -9.0957E+03  3.1360E+02 -1.1590E+04  1.8265E+03 -1.3510E+04  0.0000E+00  7.4350E+01  1.8641E+01  0.0000E+00
 averages -9.9225E+03  0.0000E+00  6.9526E+03 -4.6999E+04  1.3509E+04  0.0000E+00  0.0000E+00  4.0442E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0887E+00
 ------------------------------------------------------------------------------------------------------------------------
     1870 -9.0957E+03  3.1707E+02 -1.1623E+04  1.8846E+03 -1.3601E+04  0.0000E+00  7.8077E+01  1.5724E+01  0.0000E+00
   1.870p -9.8981E+03  0.0000E+00  6.9144E+03 -4.7708E+04  1.3600E+04  0.0000E+00  0.0000E+00  4.1023E+04  0.0000E+00
   2.805m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0429E+00

  rolling -9.0957E+03  3.1433E+02 -1.1597E+04  1.8403E+03 -1.3531E+04  0.0000E+00  7.4792E+01  1.8861E+01  0.0000E+00
 averages -9.8902E+03  0.0000E+00  6.8638E+03 -4.7183E+04  1.3530E+04  0.0000E+00  0.0000E+00  4.0517E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0386E+00
 ------------------------------------------------------------------------------------------------------------------------
     1880 -9.0954E+03  3.0914E+02 -1.1563E+04  1.8363E+03 -1.3505E+04  0.0000E+00  8.4872E+01  2.0535E+01  0.0000E+00
   1.880p -9.9659E+03  0.0000E+00  6.9942E+03 -4.7063E+04  1.3504E+04  0.0000E+00  0.0000E+00  4.0553E+04  0.0000E+00
   2.820m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1437E+00

  rolling -9.0957E+03  3.1472E+02 -1.1601E+04  1.8474E+03 -1.3541E+04  0.0000E+00  7.4702E+01  1.8547E+01  0.0000E+00
 averages -9.8720E+03  0.0000E+00  6.8123E+03 -4.7276E+04  1.3541E+04  0.0000E+00  0.0000E+00  4.0547E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0098E+00
 ------------------------------------------------------------------------------------------------------------------------
     1890 -9.0958E+03  3.1543E+02 -1.1613E+04  1.7964E+03 -1.3505E+04  0.0000E+00  7.6429E+01  1.9661E+01  0.0000E+00
   1.890p -1.0127E+04  0.0000E+00  7.5691E+03 -4.6540E+04  1.3506E+04  0.0000E+00  0.0000E+00  4.0603E+04  0.0000E+00
   2.833m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3840E+00

  rolling -9.0957E+03  3.1506E+02 -1.1604E+04  1.8472E+03 -1.3544E+04  0.0000E+00  7.4339E+01  1.8505E+01  0.0000E+00
 averages -9.8822E+03  0.0000E+00  6.8453E+03 -4.7270E+04  1.3544E+04  0.0000E+00  0.0000E+00  4.0572E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0237E+00
 ------------------------------------------------------------------------------------------------------------------------
     1900 -9.0957E+03  3.0802E+02 -1.1557E+04  1.7783E+03 -1.3427E+04  0.0000E+00  7.1292E+01  2.0049E+01  0.0000E+00
   1.900p -1.0040E+04  0.0000E+00  7.1913E+03 -4.6280E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0043E+04  0.0000E+00
   2.848m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2511E+00

  rolling -9.0957E+03  3.1456E+02 -1.1602E+04  1.8444E+03 -1.3540E+04  0.0000E+00  7.4725E+01  1.8813E+01  0.0000E+00
 averages -9.8934E+03  0.0000E+00  6.8681E+03 -4.7226E+04  1.3539E+04  0.0000E+00  0.0000E+00  4.0555E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0390E+00
 ------------------------------------------------------------------------------------------------------------------------
     1910 -9.0958E+03  3.0789E+02 -1.1557E+04  1.7792E+03 -1.3424E+04  0.0000E+00  6.8027E+01  1.9309E+01  0.0000E+00
   1.910p -9.9554E+03  0.0000E+00  6.9325E+03 -4.6297E+04  1.3425E+04  0.0000E+00  0.0000E+00  3.9804E+04  0.0000E+00
   2.862m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1223E+00

  rolling -9.0957E+03  3.1369E+02 -1.1596E+04  1.8412E+03 -1.3530E+04  0.0000E+00  7.3977E+01  1.9125E+01  0.0000E+00
 averages -9.9012E+03  0.0000E+00  6.8750E+03 -4.7173E+04  1.3530E+04  0.0000E+00  0.0000E+00  4.0518E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0491E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.1072E+02 -1.1580E+04  1.7723E+03 -1.3438E+04  0.0000E+00  6.7715E+01  1.8170E+01  0.0000E+00
   1.920p -1.0066E+04  0.0000E+00  7.3024E+03 -4.6206E+04  1.3438E+04  0.0000E+00  0.0000E+00  4.0070E+04  0.0000E+00
   2.876m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2862E+00

  rolling -9.0957E+03  3.1349E+02 -1.1596E+04  1.8360E+03 -1.3525E+04  0.0000E+00  7.3973E+01  1.9177E+01  0.0000E+00
 averages -9.9153E+03  0.0000E+00  6.9109E+03 -4.7093E+04  1.3525E+04  0.0000E+00  0.0000E+00  4.0479E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0686E+00
 ------------------------------------------------------------------------------------------------------------------------
     1930 -9.0956E+03  3.0684E+02 -1.1552E+04  1.7669E+03 -1.3411E+04  0.0000E+00  7.1748E+01  2.0452E+01  0.0000E+00
   1.930p -1.0153E+04  0.0000E+00  7.5025E+03 -4.6138E+04  1.3409E+04  0.0000E+00  0.0000E+00  4.0231E+04  0.0000E+00
   2.891m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4162E+00

  rolling -9.0957E+03  3.1268E+02 -1.1590E+04  1.8284E+03 -1.3512E+04  0.0000E+00  7.4207E+01  1.9269E+01  0.0000E+00
 averages -9.9361E+03  0.0000E+00  6.9576E+03 -4.6981E+04  1.3512E+04  0.0000E+00  0.0000E+00  4.0426E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0982E+00
 ------------------------------------------------------------------------------------------------------------------------
     1940 -9.0957E+03  3.0820E+02 -1.1563E+04  1.7718E+03 -1.3426E+04  0.0000E+00  7.3577E+01  1.7961E+01  0.0000E+00
   1.940p -1.0177E+04  0.0000E+00  7.5907E+03 -4.6190E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0356E+04  0.0000E+00
   2.905m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4501E+00

  rolling -9.0957E+03  3.1153E+02 -1.1583E+04  1.8196E+03 -1.3496E+04  0.0000E+00  7.4404E+01  1.9205E+01  0.0000E+00
 averages -9.9733E+03  0.0000E+00  7.0484E+03 -4.6853E+04  1.3496E+04  0.0000E+00  0.0000E+00  4.0405E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1526E+00
 ------------------------------------------------------------------------------------------------------------------------
     1950 -9.0957E+03  3.1094E+02 -1.1585E+04  1.7839E+03 -1.3463E+04  0.0000E+00  7.4176E+01  1.9887E+01  0.0000E+00
   1.950p -1.0079E+04  0.0000E+00  7.3358E+03 -4.6350E+04  1.3462E+04  0.0000E+00  0.0000E+00  4.0224E+04  0.0000E+00
   2.919m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3013E+00

  rolling -9.0957E+03  3.1092E+02 -1.1579E+04  1.8107E+03 -1.3484E+04  0.0000E+00  7.4998E+01  1.9272E+01  0.0000E+00
 averages -1.0006E+04  0.0000E+00  7.1325E+03 -4.6723E+04  1.3484E+04  0.0000E+00  0.0000E+00  4.0372E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1994E+00
 ------------------------------------------------------------------------------------------------------------------------
     1960 -9.0957E+03  3.0923E+02 -1.1573E+04  1.8135E+03 -1.3482E+04  0.0000E+00  7.7775E+01  1.8164E+01  0.0000E+00
   1.960p -9.9081E+03  0.0000E+00  6.7946E+03 -4.6735E+04  1.3482E+04  0.0000E+00  0.0000E+00  4.0048E+04  0.0000E+00
   2.933m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0429E+00

  rolling -9.0957E+03  3.1051E+02 -1.1577E+04  1.8022E+03 -1.3474E+04  0.0000E+00  7.5116E+01  1.9104E+01  0.0000E+00
 averages -1.0029E+04  0.0000E+00  7.1933E+03 -4.6604E+04  1.3474E+04  0.0000E+00  0.0000E+00  4.0324E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2330E+00
 ------------------------------------------------------------------------------------------------------------------------
     1970 -9.0955E+03  3.0732E+02 -1.1559E+04  1.8377E+03 -1.3490E+04  0.0000E+00  7.3657E+01  1.9156E+01  0.0000E+00
   1.970p -9.8173E+03  0.0000E+00  6.4898E+03 -4.7033E+04  1.3489E+04  0.0000E+00  0.0000E+00  4.0033E+04  0.0000E+00
   2.947m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.0460E-01

  rolling -9.0957E+03  3.0963E+02 -1.1572E+04  1.7956E+03 -1.3461E+04  0.0000E+00  7.4816E+01  1.9145E+01  0.0000E+00
 averages -1.0033E+04  0.0000E+00  7.1875E+03 -4.6512E+04  1.3461E+04  0.0000E+00  0.0000E+00  4.0238E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2369E+00
 ------------------------------------------------------------------------------------------------------------------------
     1980 -9.0957E+03  3.1078E+02 -1.1587E+04  1.8461E+03 -1.3534E+04  0.0000E+00  8.0341E+01  2.0014E+01  0.0000E+00
   1.980p -9.8584E+03  0.0000E+00  6.6625E+03 -4.7143E+04  1.3533E+04  0.0000E+00  0.0000E+00  4.0273E+04  0.0000E+00
   2.961m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6472E-01

  rolling -9.0957E+03  3.0928E+02 -1.1570E+04  1.7942E+03 -1.3458E+04  0.0000E+00  7.4557E+01  1.9371E+01  0.0000E+00
 averages -1.0022E+04  0.0000E+00  7.1471E+03 -4.6489E+04  1.3458E+04  0.0000E+00  0.0000E+00  4.0177E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2193E+00
 ------------------------------------------------------------------------------------------------------------------------
     1990 -9.0956E+03  3.0991E+02 -1.1581E+04  1.8482E+03 -1.3517E+04  0.0000E+00  7.1082E+01  1.6575E+01  0.0000E+00
   1.990p -9.8749E+03  0.0000E+00  6.6956E+03 -4.7169E+04  1.3517E+04  0.0000E+00  0.0000E+00  4.0348E+04  0.0000E+00
   2.975m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.8799E-01

  rolling -9.0957E+03  3.0906E+02 -1.1570E+04  1.7976E+03 -1.3460E+04  0.0000E+00  7.4072E+01  1.9110E+01  0.0000E+00
 averages -1.0002E+04  0.0000E+00  7.0816E+03 -4.6528E+04  1.3460E+04  0.0000E+00  0.0000E+00  4.0149E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1881E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.1491E+02 -1.1621E+04  1.8519E+03 -1.3568E+04  0.0000E+00  7.7919E+01  1.7029E+01  0.0000E+00
   2.000p -9.9793E+03  0.0000E+00  7.0812E+03 -4.7222E+04  1.3567E+04  0.0000E+00  0.0000E+00  4.0736E+04  0.0000E+00
   2.990m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1432E+00

  rolling -9.0957E+03  3.0908E+02 -1.1571E+04  1.8040E+03 -1.3468E+04  0.0000E+00  7.4271E+01  1.8844E+01  0.0000E+00
 averages -9.9852E+03  0.0000E+00  7.0267E+03 -4.6608E+04  1.3467E+04  0.0000E+00  0.0000E+00  4.0167E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1605E+00
 ------------------------------------------------------------------------------------------------------------------------
     2010 -9.0955E+03  3.1131E+02 -1.1594E+04  1.8723E+03 -1.3559E+04  0.0000E+00  7.7338E+01  1.4933E+01  0.0000E+00
   2.010p -9.9367E+03  0.0000E+00  6.8958E+03 -4.7478E+04  1.3556E+04  0.0000E+00  0.0000E+00  4.0817E+04  0.0000E+00
   3.006m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0777E+00

  rolling -9.0957E+03  3.0980E+02 -1.1577E+04  1.8124E+03 -1.3484E+04  0.0000E+00  7.5276E+01  1.8460E+01  0.0000E+00
 averages -9.9817E+03  0.0000E+00  7.0240E+03 -4.6715E+04  1.3483E+04  0.0000E+00  0.0000E+00  4.0256E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1536E+00
 ------------------------------------------------------------------------------------------------------------------------
     2020 -9.0954E+03  3.0841E+02 -1.1573E+04  1.8751E+03 -1.3548E+04  0.0000E+00  8.1783E+01  1.8042E+01  0.0000E+00
   2.020p -9.9596E+03  0.0000E+00  6.9174E+03 -4.7490E+04  1.3546E+04  0.0000E+00  0.0000E+00  4.0861E+04  0.0000E+00
   3.020m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1107E+00

  rolling -9.0956E+03  3.0978E+02 -1.1578E+04  1.8220E+03 -1.3494E+04  0.0000E+00  7.5404E+01  1.8252E+01  0.0000E+00
 averages -9.9781E+03  0.0000E+00  7.0095E+03 -4.6836E+04  1.3493E+04  0.0000E+00  0.0000E+00  4.0353E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1465E+00
 ------------------------------------------------------------------------------------------------------------------------
     2030 -9.0957E+03  3.1040E+02 -1.1590E+04  1.8632E+03 -1.3551E+04  0.0000E+00  8.3642E+01  1.4864E+01  0.0000E+00
   2.030p -1.0021E+04  0.0000E+00  7.1277E+03 -4.7337E+04  1.3550E+04  0.0000E+00  0.0000E+00  4.0915E+04  0.0000E+00
   3.033m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2010E+00

  rolling -9.0956E+03  3.1011E+02 -1.1582E+04  1.8323E+03 -1.3508E+04  0.0000E+00  7.6249E+01  1.7935E+01  0.0000E+00
 averages -9.9665E+03  0.0000E+00  6.9764E+03 -4.6964E+04  1.3507E+04  0.0000E+00  0.0000E+00  4.0433E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1273E+00
 ------------------------------------------------------------------------------------------------------------------------
     2040 -9.0955E+03  3.0271E+02 -1.1532E+04  1.8385E+03 -1.3464E+04  0.0000E+00  7.8385E+01  1.5333E+01  0.0000E+00
   2.040p -1.0059E+04  0.0000E+00  7.1211E+03 -4.7023E+04  1.3463E+04  0.0000E+00  0.0000E+00  4.0681E+04  0.0000E+00
   3.047m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2565E+00

  rolling -9.0956E+03  3.0991E+02 -1.1582E+04  1.8401E+03 -1.3516E+04  0.0000E+00  7.6922E+01  1.7497E+01  0.0000E+00
 averages -9.9549E+03  0.0000E+00  6.9352E+03 -4.7061E+04  1.3515E+04  0.0000E+00  0.0000E+00  4.0481E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1082E+00
 ------------------------------------------------------------------------------------------------------------------------
     2050 -9.0958E+03  3.1274E+02 -1.1610E+04  1.8365E+03 -1.3533E+04  0.0000E+00  7.0553E+01  1.5826E+01  0.0000E+00
   2.050p -1.0057E+04  0.0000E+00  7.2637E+03 -4.7013E+04  1.3531E+04  0.0000E+00  0.0000E+00  4.0746E+04  0.0000E+00
   3.062m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2513E+00

  rolling -9.0956E+03  3.0974E+02 -1.1581E+04  1.8459E+03 -1.3521E+04  0.0000E+00  7.6783E+01  1.7202E+01  0.0000E+00
 averages -9.9466E+03  0.0000E+00  6.9045E+03 -4.7134E+04  1.3520E+04  0.0000E+00  0.0000E+00  4.0518E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0941E+00
 ------------------------------------------------------------------------------------------------------------------------
     2060 -9.0955E+03  3.0770E+02 -1.1572E+04  1.8452E+03 -1.3504E+04  0.0000E+00  6.8605E+01  1.7984E+01  0.0000E+00
   2.060p -9.9394E+03  0.0000E+00  6.8324E+03 -4.7132E+04  1.3503E+04  0.0000E+00  0.0000E+00  4.0461E+04  0.0000E+00
   3.076m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0735E+00

  rolling -9.0956E+03  3.0975E+02 -1.1583E+04  1.8501E+03 -1.3526E+04  0.0000E+00  7.6609E+01  1.6931E+01  0.0000E+00
 averages -9.9494E+03  0.0000E+00  6.9096E+03 -4.7187E+04  1.3525E+04  0.0000E+00  0.0000E+00  4.0571E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0966E+00
 ------------------------------------------------------------------------------------------------------------------------
     2070 -9.0958E+03  3.1241E+02 -1.1609E+04  1.8436E+03 -1.3529E+04  0.0000E+00  6.0692E+01  1.5390E+01  0.0000E+00
   2.070p -9.7885E+03  0.0000E+00  6.4475E+03 -4.7127E+04  1.3528E+04  0.0000E+00  0.0000E+00  4.0046E+04  0.0000E+00
   3.090m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.4445E-01

  rolling -9.0956E+03  3.0991E+02 -1.1585E+04  1.8520E+03 -1.3529E+04  0.0000E+00  7.5398E+01  1.6838E+01  0.0000E+00
 averages -9.9491E+03  0.0000E+00  6.9081E+03 -4.7211E+04  1.3528E+04  0.0000E+00  0.0000E+00  4.0592E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0945E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.0971E+02 -1.1590E+04  1.8330E+03 -1.3510E+04  0.0000E+00  6.9266E+01  1.8148E+01  0.0000E+00
   2.080p -9.8231E+03  0.0000E+00  6.5073E+03 -4.6979E+04  1.3510E+04  0.0000E+00  0.0000E+00  3.9976E+04  0.0000E+00
   3.105m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.9505E-01

  rolling -9.0956E+03  3.1011E+02 -1.1588E+04  1.8512E+03 -1.3529E+04  0.0000E+00  7.4345E+01  1.6415E+01  0.0000E+00
 averages -9.9453E+03  0.0000E+00  6.8961E+03 -4.7202E+04  1.3528E+04  0.0000E+00  0.0000E+00  4.0570E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0870E+00
 ------------------------------------------------------------------------------------------------------------------------
     2090 -9.0957E+03  3.1297E+02 -1.1616E+04  1.8478E+03 -1.3543E+04  0.0000E+00  6.3437E+01  1.5930E+01  0.0000E+00
   2.090p -9.8227E+03  0.0000E+00  6.5519E+03 -4.7171E+04  1.3543E+04  0.0000E+00  0.0000E+00  4.0180E+04  0.0000E+00
   3.119m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.9254E-01

  rolling -9.0956E+03  3.1021E+02 -1.1589E+04  1.8503E+03 -1.3530E+04  0.0000E+00  7.3579E+01  1.6401E+01  0.0000E+00
 averages -9.9421E+03  0.0000E+00  6.8849E+03 -4.7192E+04  1.3529E+04  0.0000E+00  0.0000E+00  4.0548E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0806E+00
 ------------------------------------------------------------------------------------------------------------------------
     2100 -9.0957E+03  3.0916E+02 -1.1588E+04  1.8480E+03 -1.3525E+04  0.0000E+00  7.1910E+01  1.6588E+01  0.0000E+00
   2.100p -9.8967E+03  0.0000E+00  6.7128E+03 -4.7157E+04  1.3525E+04  0.0000E+00  0.0000E+00  4.0345E+04  0.0000E+00
   3.133m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0023E+00

  rolling -9.0956E+03  3.1015E+02 -1.1590E+04  1.8506E+03 -1.3529E+04  0.0000E+00  7.2432E+01  1.6264E+01  0.0000E+00
 averages -9.9329E+03  0.0000E+00  6.8530E+03 -4.7195E+04  1.3528E+04  0.0000E+00  0.0000E+00  4.0520E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0651E+00
 ------------------------------------------------------------------------------------------------------------------------
     2110 -9.0957E+03  3.0692E+02 -1.1572E+04  1.8537E+03 -1.3512E+04  0.0000E+00  7.0737E+01  1.5745E+01  0.0000E+00
   2.110p -9.9566E+03  0.0000E+00  6.8549E+03 -4.7221E+04  1.3513E+04  0.0000E+00  0.0000E+00  4.0563E+04  0.0000E+00
   3.147m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0908E+00

  rolling -9.0956E+03  3.0943E+02 -1.1586E+04  1.8492E+03 -1.3523E+04  0.0000E+00  7.2254E+01  1.6369E+01  0.0000E+00
 averages -9.9321E+03  0.0000E+00  6.8361E+03 -4.7175E+04  1.3523E+04  0.0000E+00  0.0000E+00  4.0489E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0622E+00
 ------------------------------------------------------------------------------------------------------------------------
     2120 -9.0956E+03  3.0495E+02 -1.1558E+04  1.8557E+03 -1.3515E+04  0.0000E+00  8.4133E+01  1.6794E+01  0.0000E+00
   2.120p -1.0014E+04  0.0000E+00  6.9953E+03 -4.7244E+04  1.3515E+04  0.0000E+00  0.0000E+00  4.0724E+04  0.0000E+00
   3.161m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1763E+00

  rolling -9.0957E+03  3.0921E+02 -1.1585E+04  1.8475E+03 -1.3521E+04  0.0000E+00  7.2044E+01  1.6266E+01  0.0000E+00
 averages -9.9351E+03  0.0000E+00  6.8385E+03 -4.7152E+04  1.3520E+04  0.0000E+00  0.0000E+00  4.0471E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0650E+00
 ------------------------------------------------------------------------------------------------------------------------
     2130 -9.0955E+03  3.0635E+02 -1.1570E+04  1.8547E+03 -1.3522E+04  0.0000E+00  8.1099E+01  1.7014E+01  0.0000E+00
   2.130p -1.0060E+04  0.0000E+00  7.1504E+03 -4.7229E+04  1.3522E+04  0.0000E+00  0.0000E+00  4.0857E+04  0.0000E+00
   3.175m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2434E+00

  rolling -9.0957E+03  3.0853E+02 -1.1581E+04  1.8457E+03 -1.3515E+04  0.0000E+00  7.2393E+01  1.6375E+01  0.0000E+00
 averages -9.9402E+03  0.0000E+00  6.8402E+03 -4.7130E+04  1.3515E+04  0.0000E+00  0.0000E+00  4.0455E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0711E+00
 ------------------------------------------------------------------------------------------------------------------------
     2140 -9.0957E+03  3.0906E+02 -1.1591E+04  1.8410E+03 -1.3533E+04  0.0000E+00  8.1918E+01  1.8262E+01  0.0000E+00
   2.140p -1.0149E+04  0.0000E+00  7.4552E+03 -4.7045E+04  1.3533E+04  0.0000E+00  0.0000E+00  4.0967E+04  0.0000E+00
   3.189m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3756E+00

  rolling -9.0957E+03  3.0900E+02 -1.1586E+04  1.8458E+03 -1.3520E+04  0.0000E+00  7.1967E+01  1.6650E+01  0.0000E+00
 averages -9.9467E+03  0.0000E+00  6.8636E+03 -4.7131E+04  1.3520E+04  0.0000E+00  0.0000E+00  4.0474E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0792E+00
 ------------------------------------------------------------------------------------------------------------------------
     2150 -9.0956E+03  3.0622E+02 -1.1571E+04  1.8189E+03 -1.3478E+04  0.0000E+00  7.0815E+01  1.8041E+01  0.0000E+00
   2.150p -9.9875E+03  0.0000E+00  6.9249E+03 -4.6782E+04  1.3478E+04  0.0000E+00  0.0000E+00  4.0229E+04  0.0000E+00
   3.203m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1313E+00

  rolling -9.0957E+03  3.0895E+02 -1.1586E+04  1.8448E+03 -1.3520E+04  0.0000E+00  7.1955E+01  1.6896E+01  0.0000E+00
 averages -9.9519E+03  0.0000E+00  6.8751E+03 -4.7117E+04  1.3520E+04  0.0000E+00  0.0000E+00  4.0473E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0854E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.0554E+02 -1.1567E+04  1.8094E+03 -1.3455E+04  0.0000E+00  6.2991E+01  1.6296E+01  0.0000E+00
   2.160p -9.9245E+03  0.0000E+00  6.7222E+03 -4.6682E+04  1.3456E+04  0.0000E+00  0.0000E+00  3.9948E+04  0.0000E+00
   3.217m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0348E+00

  rolling -9.0957E+03  3.0854E+02 -1.1584E+04  1.8420E+03 -1.3515E+04  0.0000E+00  7.1240E+01  1.6907E+01  0.0000E+00
 averages -9.9437E+03  0.0000E+00  6.8413E+03 -4.7082E+04  1.3515E+04  0.0000E+00  0.0000E+00  4.0409E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0715E+00
 ------------------------------------------------------------------------------------------------------------------------
     2170 -9.0957E+03  3.0525E+02 -1.1565E+04  1.8156E+03 -1.3470E+04  0.0000E+00  7.3154E+01  1.6046E+01  0.0000E+00
   2.170p -9.9314E+03  0.0000E+00  6.7353E+03 -4.6774E+04  1.3472E+04  0.0000E+00  0.0000E+00  4.0038E+04  0.0000E+00
   3.231m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0436E+00

  rolling -9.0957E+03  3.0797E+02 -1.1581E+04  1.8386E+03 -1.3508E+04  0.0000E+00  7.2051E+01  1.6798E+01  0.0000E+00
 averages -9.9521E+03  0.0000E+00  6.8546E+03 -4.7038E+04  1.3509E+04  0.0000E+00  0.0000E+00  4.0384E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0826E+00
 ------------------------------------------------------------------------------------------------------------------------
     2180 -9.0958E+03  3.0896E+02 -1.1595E+04  1.8278E+03 -1.3509E+04  0.0000E+00  6.7566E+01  1.8327E+01  0.0000E+00
   2.180p -9.8912E+03  0.0000E+00  6.6683E+03 -4.6933E+04  1.3511E+04  0.0000E+00  0.0000E+00  4.0090E+04  0.0000E+00
   3.245m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.8154E-01

  rolling -9.0957E+03  3.0764E+02 -1.1580E+04  1.8372E+03 -1.3506E+04  0.0000E+00  7.2463E+01  1.6924E+01  0.0000E+00
 averages -9.9620E+03  0.0000E+00  6.8759E+03 -4.7023E+04  1.3507E+04  0.0000E+00  0.0000E+00  4.0392E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0958E+00
 ------------------------------------------------------------------------------------------------------------------------
     2190 -9.0958E+03  3.0485E+02 -1.1564E+04  1.8378E+03 -1.3487E+04  0.0000E+00  6.9396E+01  1.5037E+01  0.0000E+00
   2.190p -9.8457E+03  0.0000E+00  6.4662E+03 -4.7035E+04  1.3489E+04  0.0000E+00  0.0000E+00  4.0012E+04  0.0000E+00
   3.260m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.1163E-01

  rolling -9.0957E+03  3.0719E+02 -1.1577E+04  1.8367E+03 -1.3504E+04  0.0000E+00  7.2883E+01  1.6833E+01  0.0000E+00
 averages -9.9657E+03  0.0000E+00  6.8771E+03 -4.7016E+04  1.3504E+04  0.0000E+00  0.0000E+00  4.0389E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0999E+00
 ------------------------------------------------------------------------------------------------------------------------
     2200 -9.0957E+03  3.0445E+02 -1.1562E+04  1.8328E+03 -1.3482E+04  0.0000E+00  6.9238E+01  1.8236E+01  0.0000E+00
   2.200p -9.7759E+03  0.0000E+00  6.2483E+03 -4.6938E+04  1.3485E+04  0.0000E+00  0.0000E+00  3.9701E+04  0.0000E+00
   3.274m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.0536E-01

  rolling -9.0957E+03  3.0641E+02 -1.1572E+04  1.8355E+03 -1.3498E+04  0.0000E+00  7.2986E+01  1.6909E+01  0.0000E+00
 averages -9.9600E+03  0.0000E+00  6.8449E+03 -4.6999E+04  1.3499E+04  0.0000E+00  0.0000E+00  4.0345E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0897E+00
 ------------------------------------------------------------------------------------------------------------------------
     2210 -9.0960E+03  3.0944E+02 -1.1601E+04  1.7976E+03 -1.3481E+04  0.0000E+00  6.7154E+01  1.4706E+01  0.0000E+00
   2.210p -1.0112E+04  0.0000E+00  7.3307E+03 -4.6441E+04  1.3483E+04  0.0000E+00  0.0000E+00  4.0289E+04  0.0000E+00
   3.288m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3102E+00

  rolling -9.0957E+03  3.0650E+02 -1.1574E+04  1.8319E+03 -1.3495E+04  0.0000E+00  7.2548E+01  1.6895E+01  0.0000E+00
 averages -9.9607E+03  0.0000E+00  6.8454E+03 -4.6949E+04  1.3496E+04  0.0000E+00  0.0000E+00  4.0298E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0892E+00
 ------------------------------------------------------------------------------------------------------------------------
     2220 -9.0957E+03  3.0391E+02 -1.1560E+04  1.7660E+03 -1.3418E+04  0.0000E+00  7.4040E+01  1.7960E+01  0.0000E+00
   2.220p -1.0306E+04  0.0000E+00  7.8256E+03 -4.5998E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0405E+04  0.0000E+00
   3.302m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6007E+00

  rolling -9.0957E+03  3.0642E+02 -1.1574E+04  1.8243E+03 -1.3488E+04  0.0000E+00  7.2264E+01  1.6925E+01  0.0000E+00
 averages -9.9828E+03  0.0000E+00  6.9077E+03 -4.6844E+04  1.3489E+04  0.0000E+00  0.0000E+00  4.0263E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1211E+00
 ------------------------------------------------------------------------------------------------------------------------
     2230 -9.0958E+03  3.0405E+02 -1.1562E+04  1.7495E+03 -1.3415E+04  0.0000E+00  8.3403E+01  2.0180E+01  0.0000E+00
   2.230p -1.0488E+04  0.0000E+00  8.3709E+03 -4.5739E+04  1.3417E+04  0.0000E+00  0.0000E+00  4.0694E+04  0.0000E+00
   3.316m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8732E+00

  rolling -9.0957E+03  3.0642E+02 -1.1575E+04  1.8141E+03 -1.3478E+04  0.0000E+00  7.1554E+01  1.7149E+01  0.0000E+00
 averages -1.0022E+04  0.0000E+00  7.0212E+03 -4.6701E+04  1.3479E+04  0.0000E+00  0.0000E+00  4.0243E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1781E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.0345E+02 -1.1558E+04  1.7612E+03 -1.3421E+04  0.0000E+00  7.9838E+01  2.1539E+01  0.0000E+00
   2.240p -1.0486E+04  0.0000E+00  8.3529E+03 -4.5869E+04  1.3422E+04  0.0000E+00  0.0000E+00  4.0800E+04  0.0000E+00
   3.331m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8688E+00

  rolling -9.0957E+03  3.0583E+02 -1.1572E+04  1.8047E+03 -1.3466E+04  0.0000E+00  7.1682E+01  1.7514E+01  0.0000E+00
 averages -1.0061E+04  0.0000E+00  7.1278E+03 -4.6565E+04  1.3467E+04  0.0000E+00  0.0000E+00  4.0226E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2360E+00
 ------------------------------------------------------------------------------------------------------------------------
     2250 -9.0959E+03  3.0407E+02 -1.1563E+04  1.7650E+03 -1.3418E+04  0.0000E+00  7.4223E+01  1.5370E+01  0.0000E+00
   2.250p -1.0344E+04  0.0000E+00  7.9330E+03 -4.5903E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0417E+04  0.0000E+00
   3.345m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6534E+00

  rolling -9.0958E+03  3.0556E+02 -1.1571E+04  1.7986E+03 -1.3458E+04  0.0000E+00  7.1765E+01  1.7507E+01  0.0000E+00
 averages -1.0094E+04  0.0000E+00  7.2194E+03 -4.6469E+04  1.3460E+04  0.0000E+00  0.0000E+00  4.0229E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2840E+00
 ------------------------------------------------------------------------------------------------------------------------
     2260 -9.0959E+03  3.0605E+02 -1.1579E+04  1.7643E+03 -1.3428E+04  0.0000E+00  7.0984E+01  1.3207E+01  0.0000E+00
   2.260p -1.0310E+04  0.0000E+00  7.8611E+03 -4.5892E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0324E+04  0.0000E+00
   3.359m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6022E+00

  rolling -9.0958E+03  3.0528E+02 -1.1569E+04  1.7938E+03 -1.3453E+04  0.0000E+00  7.2887E+01  1.7194E+01  0.0000E+00
 averages -1.0129E+04  0.0000E+00  7.3189E+03 -4.6387E+04  1.3455E+04  0.0000E+00  0.0000E+00  4.0251E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3361E+00
 ------------------------------------------------------------------------------------------------------------------------
     2270 -9.0958E+03  3.0752E+02 -1.1591E+04  1.7685E+03 -1.3440E+04  0.0000E+00  6.6417E+01  1.4387E+01  0.0000E+00
   2.270p -1.0324E+04  0.0000E+00  7.9228E+03 -4.5967E+04  1.3441E+04  0.0000E+00  0.0000E+00  4.0449E+04  0.0000E+00
   3.373m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6219E+00

  rolling -9.0958E+03  3.0560E+02 -1.1573E+04  1.7892E+03 -1.3452E+04  0.0000E+00  7.2890E+01  1.6951E+01  0.0000E+00
 averages -1.0169E+04  0.0000E+00  7.4394E+03 -4.6309E+04  1.3454E+04  0.0000E+00  0.0000E+00  4.0295E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3941E+00
 ------------------------------------------------------------------------------------------------------------------------
     2280 -9.0957E+03  3.0224E+02 -1.1551E+04  1.7609E+03 -1.3408E+04  0.0000E+00  7.8924E+01  1.7162E+01  0.0000E+00
   2.280p -1.0236E+04  0.0000E+00  7.5750E+03 -4.5875E+04  1.3409E+04  0.0000E+00  0.0000E+00  4.0041E+04  0.0000E+00
   3.387m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4878E+00

  rolling -9.0958E+03  3.0536E+02 -1.1572E+04  1.7835E+03 -1.3445E+04  0.0000E+00  7.2865E+01  1.6834E+01  0.0000E+00
 averages -1.0209E+04  0.0000E+00  7.5528E+03 -4.6215E+04  1.3447E+04  0.0000E+00  0.0000E+00  4.0321E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4529E+00
 ------------------------------------------------------------------------------------------------------------------------
     2290 -9.0959E+03  3.0283E+02 -1.1557E+04  1.7552E+03 -1.3388E+04  0.0000E+00  6.0560E+01  1.4970E+01  0.0000E+00
   2.290p -1.0199E+04  0.0000E+00  7.4720E+03 -4.5821E+04  1.3391E+04  0.0000E+00  0.0000E+00  3.9903E+04  0.0000E+00
   3.401m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4316E+00

  rolling -9.0958E+03  3.0483E+02 -1.1568E+04  1.7759E+03 -1.3434E+04  0.0000E+00  7.2778E+01  1.6743E+01  0.0000E+00
 averages -1.0242E+04  0.0000E+00  7.6420E+03 -4.6100E+04  1.3436E+04  0.0000E+00  0.0000E+00  4.0306E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5016E+00
 ------------------------------------------------------------------------------------------------------------------------
     2300 -9.0959E+03  3.0417E+02 -1.1568E+04  1.7516E+03 -1.3402E+04  0.0000E+00  6.4994E+01  1.7966E+01  0.0000E+00
   2.300p -1.0220E+04  0.0000E+00  7.5547E+03 -4.5785E+04  1.3404E+04  0.0000E+00  0.0000E+00  3.9936E+04  0.0000E+00
   3.415m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4629E+00

  rolling -9.0958E+03  3.0487E+02 -1.1569E+04  1.7673E+03 -1.3426E+04  0.0000E+00  7.2200E+01  1.6742E+01  0.0000E+00
 averages -1.0286E+04  0.0000E+00  7.7714E+03 -4.5977E+04  1.3428E+04  0.0000E+00  0.0000E+00  4.0321E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5662E+00
 ------------------------------------------------------------------------------------------------------------------------
     2310 -9.0961E+03  3.0273E+02 -1.1557E+04  1.7642E+03 -1.3407E+04  0.0000E+00  6.9315E+01  1.5804E+01  0.0000E+00
   2.310p -1.0136E+04  0.0000E+00  7.2786E+03 -4.5957E+04  1.3411E+04  0.0000E+00  0.0000E+00  3.9825E+04  0.0000E+00
   3.429m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3354E+00

  rolling -9.0958E+03  3.0433E+02 -1.1566E+04  1.7618E+03 -1.3417E+04  0.0000E+00  7.2335E+01  1.6781E+01  0.0000E+00
 averages -1.0306E+04  0.0000E+00  7.8214E+03 -4.5898E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0301E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5954E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  2.9868E+02 -1.1527E+04  1.7655E+03 -1.3377E+04  0.0000E+00  6.7921E+01  1.6533E+01  0.0000E+00
   2.320p -1.0257E+04  0.0000E+00  7.5774E+03 -4.5963E+04  1.3378E+04  0.0000E+00  0.0000E+00  4.0162E+04  0.0000E+00
   3.443m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5163E+00

  rolling -9.0959E+03  3.0385E+02 -1.1563E+04  1.7603E+03 -1.3412E+04  0.0000E+00  7.2006E+01  1.6804E+01  0.0000E+00
 averages -1.0305E+04  0.0000E+00  7.8090E+03 -4.5875E+04  1.3414E+04  0.0000E+00  0.0000E+00  4.0270E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5929E+00
 ------------------------------------------------------------------------------------------------------------------------
     2330 -9.0960E+03  3.0538E+02 -1.1578E+04  1.7639E+03 -1.3425E+04  0.0000E+00  6.8995E+01  1.4147E+01  0.0000E+00
   2.330p -1.0249E+04  0.0000E+00  7.6532E+03 -4.5964E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0190E+04  0.0000E+00
   3.457m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5030E+00

  rolling -9.0959E+03  3.0349E+02 -1.1561E+04  1.7614E+03 -1.3410E+04  0.0000E+00  7.1417E+01  1.6403E+01  0.0000E+00
 averages -1.0287E+04  0.0000E+00  7.7483E+03 -4.5890E+04  1.3412E+04  0.0000E+00  0.0000E+00  4.0226E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5652E+00
 ------------------------------------------------------------------------------------------------------------------------
     2340 -9.0959E+03  3.0658E+02 -1.1588E+04  1.7636E+03 -1.3444E+04  0.0000E+00  7.8573E+01  1.4087E+01  0.0000E+00
   2.340p -1.0342E+04  0.0000E+00  7.9496E+03 -4.5973E+04  1.3446E+04  0.0000E+00  0.0000E+00  4.0476E+04  0.0000E+00
   3.471m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6426E+00

  rolling -9.0959E+03  3.0386E+02 -1.1564E+04  1.7624E+03 -1.3413E+04  0.0000E+00  7.0661E+01  1.5645E+01  0.0000E+00
 averages -1.0266E+04  0.0000E+00  7.6897E+03 -4.5908E+04  1.3415E+04  0.0000E+00  0.0000E+00  4.0183E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5329E+00
 ------------------------------------------------------------------------------------------------------------------------
     2350 -9.0958E+03  3.0351E+02 -1.1565E+04  1.7723E+03 -1.3423E+04  0.0000E+00  6.9777E+01  1.6645E+01  0.0000E+00
   2.350p -1.0178E+04  0.0000E+00  7.4106E+03 -4.6100E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0085E+04  0.0000E+00
   3.485m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3956E+00

  rolling -9.0959E+03  3.0393E+02 -1.1566E+04  1.7625E+03 -1.3414E+04  0.0000E+00  7.0449E+01  1.5361E+01  0.0000E+00
 averages -1.0254E+04  0.0000E+00  7.6522E+03 -4.5918E+04  1.3416E+04  0.0000E+00  0.0000E+00  4.0155E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5136E+00
 ------------------------------------------------------------------------------------------------------------------------
     2360 -9.0958E+03  3.0749E+02 -1.1596E+04  1.7696E+03 -1.3447E+04  0.0000E+00  6.4641E+01  1.7585E+01  0.0000E+00
   2.360p -1.0206E+04  0.0000E+00  7.5547E+03 -4.6071E+04  1.3448E+04  0.0000E+00  0.0000E+00  4.0177E+04  0.0000E+00
   3.499m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4374E+00

  rolling -9.0959E+03  3.0403E+02 -1.1567E+04  1.7632E+03 -1.3415E+04  0.0000E+00  6.9286E+01  1.5700E+01  0.0000E+00
 averages -1.0239E+04  0.0000E+00  7.6084E+03 -4.5938E+04  1.3417E+04  0.0000E+00  0.0000E+00  4.0130E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4908E+00
 ------------------------------------------------------------------------------------------------------------------------
     2370 -9.0959E+03  3.1031E+02 -1.1617E+04  1.7868E+03 -1.3493E+04  0.0000E+00  7.0164E+01  1.8128E+01  0.0000E+00
   2.370p -1.0231E+04  0.0000E+00  7.6714E+03 -4.6301E+04  1.3493E+04  0.0000E+00  0.0000E+00  4.0479E+04  0.0000E+00
   3.513m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4744E+00

  rolling -9.0959E+03  3.0434E+02 -1.1570E+04  1.7641E+03 -1.3419E+04  0.0000E+00  6.9396E+01  1.6137E+01  0.0000E+00
 averages -1.0234E+04  0.0000E+00  7.5963E+03 -4.5960E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0135E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4825E+00
 ------------------------------------------------------------------------------------------------------------------------
     2380 -9.0958E+03  3.0188E+02 -1.1553E+04  1.8183E+03 -1.3457E+04  0.0000E+00  6.7405E+01  1.8267E+01  0.0000E+00
   2.380p -9.9886E+03  0.0000E+00  6.8148E+03 -4.6720E+04  1.3460E+04  0.0000E+00  0.0000E+00  4.0074E+04  0.0000E+00
   3.527m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1092E+00

  rolling -9.0959E+03  3.0432E+02 -1.1570E+04  1.7682E+03 -1.3424E+04  0.0000E+00  6.8907E+01  1.6351E+01  0.0000E+00
 averages -1.0210E+04  0.0000E+00  7.5212E+03 -4.6024E+04  1.3426E+04  0.0000E+00  0.0000E+00  4.0120E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4449E+00
 ------------------------------------------------------------------------------------------------------------------------
     2390 -9.0958E+03  3.0842E+02 -1.1604E+04  1.8279E+03 -1.3525E+04  0.0000E+00  7.9178E+01  1.4418E+01  0.0000E+00
   2.390p -1.0177E+04  0.0000E+00  7.4783E+03 -4.6839E+04  1.3526E+04  0.0000E+00  0.0000E+00  4.0791E+04  0.0000E+00
   3.541m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3920E+00

  rolling -9.0959E+03  3.0463E+02 -1.1573E+04  1.7748E+03 -1.3434E+04  0.0000E+00  6.9428E+01  1.6410E+01  0.0000E+00
 averages -1.0200E+04  0.0000E+00  7.4940E+03 -4.6118E+04  1.3435E+04  0.0000E+00  0.0000E+00  4.0177E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4289E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0959E+03  3.1072E+02 -1.1621E+04  1.8328E+03 -1.3538E+04  0.0000E+00  6.9599E+01  1.4032E+01  0.0000E+00
   2.400p -1.0151E+04  0.0000E+00  7.4335E+03 -4.6914E+04  1.3540E+04  0.0000E+00  0.0000E+00  4.0808E+04  0.0000E+00
   3.555m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3520E+00

  rolling -9.0959E+03  3.0535E+02 -1.1579E+04  1.7827E+03 -1.3448E+04  0.0000E+00  7.0028E+01  1.6106E+01  0.0000E+00
 averages -1.0196E+04  0.0000E+00  7.4928E+03 -4.6228E+04  1.3450E+04  0.0000E+00  0.0000E+00  4.0272E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4228E+00
 ------------------------------------------------------------------------------------------------------------------------
     2410 -9.0959E+03  3.0946E+02 -1.1612E+04  1.8291E+03 -1.3526E+04  0.0000E+00  6.9683E+01  1.4822E+01  0.0000E+00
   2.410p -1.0110E+04  0.0000E+00  7.2930E+03 -4.6852E+04  1.3527E+04  0.0000E+00  0.0000E+00  4.0619E+04  0.0000E+00
   3.569m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2912E+00

  rolling -9.0959E+03  3.0613E+02 -1.1585E+04  1.7897E+03 -1.3461E+04  0.0000E+00  6.9904E+01  1.5891E+01  0.0000E+00
 averages -1.0196E+04  0.0000E+00  7.5034E+03 -4.6325E+04  1.3462E+04  0.0000E+00  0.0000E+00  4.0366E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4222E+00
 ------------------------------------------------------------------------------------------------------------------------
     2420 -9.0959E+03  3.0625E+02 -1.1588E+04  1.8432E+03 -1.3506E+04  0.0000E+00  5.8793E+01  1.6399E+01  0.0000E+00
   2.420p -9.8397E+03  0.0000E+00  6.4311E+03 -4.7064E+04  1.3509E+04  0.0000E+00  0.0000E+00  3.9986E+04  0.0000E+00
   3.583m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.8326E-01

  rolling -9.0959E+03  3.0672E+02 -1.1590E+04  1.7969E+03 -1.3472E+04  0.0000E+00  6.9619E+01  1.5815E+01  0.0000E+00
 averages -1.0170E+04  0.0000E+00  7.4341E+03 -4.6426E+04  1.3474E+04  0.0000E+00  0.0000E+00  4.0386E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3828E+00
 ------------------------------------------------------------------------------------------------------------------------
     2430 -9.0962E+03  3.0639E+02 -1.1590E+04  1.8421E+03 -1.3520E+04  0.0000E+00  7.0787E+01  1.8077E+01  0.0000E+00
   2.430p -9.9763E+03  0.0000E+00  6.8411E+03 -4.7054E+04  1.3524E+04  0.0000E+00  0.0000E+00  4.0371E+04  0.0000E+00
   3.597m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0880E+00

  rolling -9.0959E+03  3.0725E+02 -1.1594E+04  1.8048E+03 -1.3485E+04  0.0000E+00  6.9319E+01  1.6060E+01  0.0000E+00
 averages -1.0134E+04  0.0000E+00  7.3315E+03 -4.6537E+04  1.3486E+04  0.0000E+00  0.0000E+00  4.0382E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3273E+00
 ------------------------------------------------------------------------------------------------------------------------
     2440 -9.0960E+03  3.0228E+02 -1.1558E+04  1.8614E+03 -1.3502E+04  0.0000E+00  6.6096E+01  1.6354E+01  0.0000E+00
   2.440p -9.9162E+03  0.0000E+00  6.5981E+03 -4.7316E+04  1.3505E+04  0.0000E+00  0.0000E+00  4.0409E+04  0.0000E+00
   3.612m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.9745E-01

  rolling -9.0959E+03  3.0683E+02 -1.1591E+04  1.8137E+03 -1.3491E+04  0.0000E+00  6.9354E+01  1.6393E+01  0.0000E+00
 averages -1.0098E+04  0.0000E+00  7.2168E+03 -4.6659E+04  1.3493E+04  0.0000E+00  0.0000E+00  4.0383E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2730E+00
 ------------------------------------------------------------------------------------------------------------------------
     2450 -9.0961E+03  3.1183E+02 -1.1631E+04  1.8547E+03 -1.3579E+04  0.0000E+00  7.8093E+01  1.4673E+01  0.0000E+00
   2.450p -1.0222E+04  0.0000E+00  7.6612E+03 -4.7221E+04  1.3582E+04  0.0000E+00  0.0000E+00  4.1300E+04  0.0000E+00
   3.626m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4576E+00

  rolling -9.0959E+03  3.0695E+02 -1.1593E+04  1.8231E+03 -1.3501E+04  0.0000E+00  6.9184E+01  1.6428E+01  0.0000E+00
 averages -1.0073E+04  0.0000E+00  7.1420E+03 -4.6788E+04  1.3503E+04  0.0000E+00  0.0000E+00  4.0427E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2345E+00
 ------------------------------------------------------------------------------------------------------------------------
     2460 -9.0957E+03  3.0978E+02 -1.1616E+04  1.8602E+03 -1.3563E+04  0.0000E+00  7.4530E+01  1.2233E+01  0.0000E+00
   2.460p -1.0125E+04  0.0000E+00  7.3377E+03 -4.7309E+04  1.3563E+04  0.0000E+00  0.0000E+00  4.1083E+04  0.0000E+00
   3.640m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3111E+00

  rolling -9.0959E+03  3.0780E+02 -1.1600E+04  1.8313E+03 -1.3517E+04  0.0000E+00  7.0242E+01  1.5996E+01  0.0000E+00
 averages -1.0084E+04  0.0000E+00  7.1874E+03 -4.6899E+04  1.3519E+04  0.0000E+00  0.0000E+00  4.0567E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2508E+00
 ------------------------------------------------------------------------------------------------------------------------
     2470 -9.0958E+03  3.0411E+02 -1.1573E+04  1.8793E+03 -1.3546E+04  0.0000E+00  7.7624E+01  1.6901E+01  0.0000E+00
   2.470p -9.8434E+03  0.0000E+00  6.4064E+03 -4.7576E+04  1.3547E+04  0.0000E+00  0.0000E+00  4.0435E+04  0.0000E+00
   3.654m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.8732E-01

  rolling -9.0959E+03  3.0745E+02 -1.1597E+04  1.8408E+03 -1.3524E+04  0.0000E+00  7.0169E+01  1.5665E+01  0.0000E+00
 averages -1.0051E+04  0.0000E+00  7.0838E+03 -4.7030E+04  1.3526E+04  0.0000E+00  0.0000E+00  4.0588E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2016E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.0284E+02 -1.1563E+04  1.8856E+03 -1.3534E+04  0.0000E+00  6.8852E+01  1.6198E+01  0.0000E+00
   2.480p -9.7994E+03  0.0000E+00  6.2548E+03 -4.7665E+04  1.3535E+04  0.0000E+00  0.0000E+00  4.0385E+04  0.0000E+00
   3.668m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.2091E-01

  rolling -9.0959E+03  3.0719E+02 -1.1595E+04  1.8485E+03 -1.3530E+04  0.0000E+00  7.1002E+01  1.5485E+01  0.0000E+00
 averages -1.0028E+04  0.0000E+00  7.0099E+03 -4.7137E+04  1.3532E+04  0.0000E+00  0.0000E+00  4.0614E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1664E+00
 ------------------------------------------------------------------------------------------------------------------------
     2490 -9.0961E+03  3.1342E+02 -1.1644E+04  1.8475E+03 -1.3583E+04  0.0000E+00  7.3197E+01  1.8222E+01  0.0000E+00
   2.490p -1.0003E+04  0.0000E+00  7.0253E+03 -4.7179E+04  1.3585E+04  0.0000E+00  0.0000E+00  4.0620E+04  0.0000E+00
   3.682m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1265E+00

  rolling -9.0959E+03  3.0760E+02 -1.1599E+04  1.8530E+03 -1.3538E+04  0.0000E+00  7.0749E+01  1.5553E+01  0.0000E+00
 averages -1.0006E+04  0.0000E+00  6.9494E+03 -4.7203E+04  1.3540E+04  0.0000E+00  0.0000E+00  4.0613E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1330E+00
 ------------------------------------------------------------------------------------------------------------------------
     2500 -9.0957E+03  3.0505E+02 -1.1580E+04  1.8291E+03 -1.3499E+04  0.0000E+00  7.1450E+01  1.8257E+01  0.0000E+00
   2.500p -1.0051E+04  0.0000E+00  7.0420E+03 -4.6930E+04  1.3500E+04  0.0000E+00  0.0000E+00  4.0472E+04  0.0000E+00
   3.696m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1989E+00

  rolling -9.0959E+03  3.0738E+02 -1.1597E+04  1.8532E+03 -1.3538E+04  0.0000E+00  7.1267E+01  1.6067E+01  0.0000E+00
 averages -9.9931E+03  0.0000E+00  6.9064E+03 -4.7213E+04  1.3540E+04  0.0000E+00  0.0000E+00  4.0580E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1131E+00
 ------------------------------------------------------------------------------------------------------------------------
     2510 -9.0959E+03  3.0684E+02 -1.1594E+04  1.8472E+03 -1.3532E+04  0.0000E+00  7.3382E+01  1.7064E+01  0.0000E+00
   2.510p -1.0011E+04  0.0000E+00  6.9491E+03 -4.7154E+04  1.3532E+04  0.0000E+00  0.0000E+00  4.0571E+04  0.0000E+00
   3.710m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1386E+00

  rolling -9.0959E+03  3.0694E+02 -1.1594E+04  1.8542E+03 -1.3536E+04  0.0000E+00  7.1130E+01  1.6338E+01  0.0000E+00
 averages -9.9794E+03  0.0000E+00  6.8580E+03 -4.7233E+04  1.3537E+04  0.0000E+00  0.0000E+00  4.0554E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0921E+00
 ------------------------------------------------------------------------------------------------------------------------
     2520 -9.0956E+03  3.0272E+02 -1.1563E+04  1.8654E+03 -1.3525E+04  0.0000E+00  8.0913E+01  1.5841E+01  0.0000E+00
   2.520p -9.9354E+03  0.0000E+00  6.6598E+03 -4.7374E+04  1.3523E+04  0.0000E+00  0.0000E+00  4.0510E+04  0.0000E+00
   3.724m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0250E+00

  rolling -9.0959E+03  3.0667E+02 -1.1592E+04  1.8561E+03 -1.3537E+04  0.0000E+00  7.2713E+01  1.6453E+01  0.0000E+00
 averages -9.9832E+03  0.0000E+00  6.8648E+03 -4.7263E+04  1.3539E+04  0.0000E+00  0.0000E+00  4.0588E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0977E+00
 ------------------------------------------------------------------------------------------------------------------------
     2530 -9.0958E+03  3.0688E+02 -1.1594E+04  1.8552E+03 -1.3537E+04  0.0000E+00  7.1670E+01  1.6145E+01  0.0000E+00
   2.530p -9.8385E+03  0.0000E+00  6.4316E+03 -4.7241E+04  1.3537E+04  0.0000E+00  0.0000E+00  4.0136E+04  0.0000E+00
   3.738m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.7877E-01

  rolling -9.0958E+03  3.0655E+02 -1.1591E+04  1.8582E+03 -1.3539E+04  0.0000E+00  7.3382E+01  1.6238E+01  0.0000E+00
 averages -9.9815E+03  0.0000E+00  6.8574E+03 -4.7292E+04  1.3540E+04  0.0000E+00  0.0000E+00  4.0609E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0948E+00
 ------------------------------------------------------------------------------------------------------------------------
     2540 -9.0959E+03  3.1129E+02 -1.1628E+04  1.8029E+03 -1.3518E+04  0.0000E+00  7.0433E+01  1.6522E+01  0.0000E+00
   2.540p -1.0011E+04  0.0000E+00  7.0171E+03 -4.6552E+04  1.3520E+04  0.0000E+00  0.0000E+00  4.0049E+04  0.0000E+00
   3.752m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1387E+00

  rolling -9.0958E+03  3.0717E+02 -1.1596E+04  1.8556E+03 -1.3541E+04  0.0000E+00  7.3056E+01  1.6162E+01  0.0000E+00
 averages -9.9800E+03  0.0000E+00  6.8620E+03 -4.7258E+04  1.3542E+04  0.0000E+00  0.0000E+00  4.0578E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0924E+00
 ------------------------------------------------------------------------------------------------------------------------
     2550 -9.0958E+03  3.0777E+02 -1.1601E+04  1.7911E+03 -1.3474E+04  0.0000E+00  6.4697E+01  1.6596E+01  0.0000E+00
   2.550p -9.9728E+03  0.0000E+00  6.8480E+03 -4.6419E+04  1.3474E+04  0.0000E+00  0.0000E+00  3.9793E+04  0.0000E+00
   3.767m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0808E+00

  rolling -9.0958E+03  3.0754E+02 -1.1599E+04  1.8489E+03 -1.3537E+04  0.0000E+00  7.2735E+01  1.6276E+01  0.0000E+00
 averages -9.9759E+03  0.0000E+00  6.8549E+03 -4.7172E+04  1.3538E+04  0.0000E+00  0.0000E+00  4.0489E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0860E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.0851E+02 -1.1607E+04  1.7800E+03 -1.3482E+04  0.0000E+00  7.7060E+01  1.7963E+01  0.0000E+00
   2.560p -1.0187E+04  0.0000E+00  7.5016E+03 -4.6244E+04  1.3482E+04  0.0000E+00  0.0000E+00  4.0264E+04  0.0000E+00
   3.781m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4030E+00

  rolling -9.0958E+03  3.0692E+02 -1.1595E+04  1.8419E+03 -1.3525E+04  0.0000E+00  7.2380E+01  1.6671E+01  0.0000E+00
 averages -9.9589E+03  0.0000E+00  6.7942E+03 -4.7081E+04  1.3526E+04  0.0000E+00  0.0000E+00  4.0349E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0603E+00
 ------------------------------------------------------------------------------------------------------------------------
     2570 -9.0959E+03  3.0686E+02 -1.1595E+04  1.7966E+03 -1.3486E+04  0.0000E+00  7.7030E+01  1.7584E+01  0.0000E+00
   2.570p -1.0143E+04  0.0000E+00  7.3435E+03 -4.6466E+04  1.3488E+04  0.0000E+00  0.0000E+00  4.0321E+04  0.0000E+00
   3.795m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3363E+00

  rolling -9.0958E+03  3.0709E+02 -1.1596E+04  1.8335E+03 -1.3520E+04  0.0000E+00  7.3526E+01  1.7082E+01  0.0000E+00
 averages -9.9813E+03  0.0000E+00  6.8637E+03 -4.6970E+04  1.3521E+04  0.0000E+00  0.0000E+00  4.0313E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0939E+00
 ------------------------------------------------------------------------------------------------------------------------
     2580 -9.0958E+03  3.0399E+02 -1.1573E+04  1.8098E+03 -1.3482E+04  0.0000E+00  8.5719E+01  1.3732E+01  0.0000E+00
   2.580p -1.0226E+04  0.0000E+00  7.5509E+03 -4.6612E+04  1.3484E+04  0.0000E+00  0.0000E+00  4.0679E+04  0.0000E+00
   3.809m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4623E+00

  rolling -9.0958E+03  3.0721E+02 -1.1597E+04  1.8259E+03 -1.3514E+04  0.0000E+00  7.4128E+01  1.6903E+01  0.0000E+00
 averages -1.0017E+04  0.0000E+00  6.9715E+03 -4.6865E+04  1.3515E+04  0.0000E+00  0.0000E+00  4.0322E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1470E+00
 ------------------------------------------------------------------------------------------------------------------------
     2590 -9.0958E+03  3.0737E+02 -1.1598E+04  1.8288E+03 -1.3524E+04  0.0000E+00  8.1750E+01  1.5326E+01  0.0000E+00
   2.590p -9.9777E+03  0.0000E+00  6.8562E+03 -4.6872E+04  1.3525E+04  0.0000E+00  0.0000E+00  4.0203E+04  0.0000E+00
   3.823m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0880E+00

  rolling -9.0958E+03  3.0705E+02 -1.1596E+04  1.8207E+03 -1.3508E+04  0.0000E+00  7.5274E+01  1.6656E+01  0.0000E+00
 averages -1.0043E+04  0.0000E+00  7.0471E+03 -4.6790E+04  1.3509E+04  0.0000E+00  0.0000E+00  4.0328E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1862E+00
 ------------------------------------------------------------------------------------------------------------------------
     2600 -9.0958E+03  3.0497E+02 -1.1580E+04  1.8528E+03 -1.3521E+04  0.0000E+00  7.3711E+01  1.4475E+01  0.0000E+00
   2.600p -9.9631E+03  0.0000E+00  6.7763E+03 -4.7171E+04  1.3522E+04  0.0000E+00  0.0000E+00  4.0425E+04  0.0000E+00
   3.837m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0663E+00

  rolling -9.0958E+03  3.0675E+02 -1.1594E+04  1.8216E+03 -1.3506E+04  0.0000E+00  7.4964E+01  1.6263E+01  0.0000E+00
 averages -1.0030E+04  0.0000E+00  7.0025E+03 -4.6796E+04  1.3507E+04  0.0000E+00  0.0000E+00  4.0291E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1662E+00
 ------------------------------------------------------------------------------------------------------------------------
     2610 -9.0959E+03  3.0784E+02 -1.1602E+04  1.8834E+03 -1.3582E+04  0.0000E+00  7.9652E+01  1.6645E+01  0.0000E+00
   2.610p -9.9300E+03  0.0000E+00  6.7206E+03 -4.7562E+04  1.3583E+04  0.0000E+00  0.0000E+00  4.0700E+04  0.0000E+00
   3.851m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0164E+00

  rolling -9.0958E+03  3.0685E+02 -1.1594E+04  1.8246E+03 -1.3511E+04  0.0000E+00  7.5876E+01  1.6053E+01  0.0000E+00
 averages -1.0027E+04  0.0000E+00  6.9974E+03 -4.6828E+04  1.3512E+04  0.0000E+00  0.0000E+00  4.0313E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1628E+00
 ------------------------------------------------------------------------------------------------------------------------
     2620 -9.0958E+03  3.0509E+02 -1.1581E+04  1.8825E+03 -1.3556E+04  0.0000E+00  7.3088E+01  1.9506E+01  0.0000E+00
   2.620p -9.9634E+03  0.0000E+00  6.7793E+03 -4.7540E+04  1.3556E+04  0.0000E+00  0.0000E+00  4.0763E+04  0.0000E+00
   3.865m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0669E+00

  rolling -9.0958E+03  3.0709E+02 -1.1596E+04  1.8276E+03 -1.3515E+04  0.0000E+00  7.5342E+01  1.6243E+01  0.0000E+00
 averages -1.0019E+04  0.0000E+00  6.9747E+03 -4.6862E+04  1.3516E+04  0.0000E+00  0.0000E+00  4.0320E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1496E+00
 ------------------------------------------------------------------------------------------------------------------------
     2630 -9.0958E+03  3.0522E+02 -1.1582E+04  1.8563E+03 -1.3529E+04  0.0000E+00  7.5485E+01  1.5171E+01  0.0000E+00
   2.630p -1.0111E+04  0.0000E+00  7.2247E+03 -4.7189E+04  1.3530E+04  0.0000E+00  0.0000E+00  4.0884E+04  0.0000E+00
   3.879m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2893E+00

  rolling -9.0958E+03  3.0700E+02 -1.1596E+04  1.8279E+03 -1.3515E+04  0.0000E+00  7.5575E+01  1.6436E+01  0.0000E+00
 averages -1.0039E+04  0.0000E+00  7.0344E+03 -4.6859E+04  1.3517E+04  0.0000E+00  0.0000E+00  4.0377E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1802E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0959E+03  3.0926E+02 -1.1612E+04  1.8535E+03 -1.3552E+04  0.0000E+00  7.1527E+01  1.4186E+01  0.0000E+00
   2.640p -9.9806E+03  0.0000E+00  6.8950E+03 -4.7170E+04  1.3553E+04  0.0000E+00  0.0000E+00  4.0512E+04  0.0000E+00
   3.893m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0930E+00

  rolling -9.0958E+03  3.0687E+02 -1.1595E+04  1.8307E+03 -1.3517E+04  0.0000E+00  7.5739E+01  1.6191E+01  0.0000E+00
 averages -1.0049E+04  0.0000E+00  7.0625E+03 -4.6890E+04  1.3518E+04  0.0000E+00  0.0000E+00  4.0434E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1953E+00
 ------------------------------------------------------------------------------------------------------------------------
     2650 -9.0959E+03  3.0760E+02 -1.1600E+04  1.8615E+03 -1.3540E+04  0.0000E+00  6.5987E+01  1.3035E+01  0.0000E+00
   2.650p -1.0004E+04  0.0000E+00  6.9411E+03 -4.7275E+04  1.3541E+04  0.0000E+00  0.0000E+00  4.0675E+04  0.0000E+00
   3.908m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1288E+00

  rolling -9.0958E+03  3.0669E+02 -1.1593E+04  1.8369E+03 -1.3522E+04  0.0000E+00  7.5841E+01  1.5929E+01  0.0000E+00
 averages -1.0049E+04  0.0000E+00  7.0601E+03 -4.6965E+04  1.3523E+04  0.0000E+00  0.0000E+00  4.0502E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1955E+00
 ------------------------------------------------------------------------------------------------------------------------
     2660 -9.0958E+03  3.0087E+02 -1.1548E+04  1.8746E+03 -1.3502E+04  0.0000E+00  6.4435E+01  1.4608E+01  0.0000E+00
   2.660p -9.7831E+03  0.0000E+00  6.1757E+03 -4.7458E+04  1.3504E+04  0.0000E+00  0.0000E+00  4.0130E+04  0.0000E+00
   3.921m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.9637E-01

  rolling -9.0959E+03  3.0637E+02 -1.1591E+04  1.8457E+03 -1.3527E+04  0.0000E+00  7.5392E+01  1.5539E+01  0.0000E+00
 averages -1.0028E+04  0.0000E+00  6.9936E+03 -4.7077E+04  1.3529E+04  0.0000E+00  0.0000E+00  4.0542E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1645E+00
 ------------------------------------------------------------------------------------------------------------------------
     2670 -9.0959E+03  3.0975E+02 -1.1616E+04  1.8599E+03 -1.3566E+04  0.0000E+00  7.5132E+01  1.4851E+01  0.0000E+00
   2.670p -1.0076E+04  0.0000E+00  7.1915E+03 -4.7263E+04  1.3567E+04  0.0000E+00  0.0000E+00  4.0888E+04  0.0000E+00
   3.936m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2379E+00

  rolling -9.0958E+03  3.0588E+02 -1.1587E+04  1.8536E+03 -1.3530E+04  0.0000E+00  7.4523E+01  1.5265E+01  0.0000E+00
 averages -1.0001E+04  0.0000E+00  6.9047E+03 -4.7177E+04  1.3532E+04  0.0000E+00  0.0000E+00  4.0550E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1237E+00
 ------------------------------------------------------------------------------------------------------------------------
     2680 -9.0959E+03  3.1326E+02 -1.1642E+04  1.8491E+03 -1.3577E+04  0.0000E+00  6.8985E+01  1.6304E+01  0.0000E+00
   2.680p -1.0132E+04  0.0000E+00  7.4125E+03 -4.7132E+04  1.3577E+04  0.0000E+00  0.0000E+00  4.0967E+04  0.0000E+00
   3.950m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3220E+00

  rolling -9.0959E+03  3.0694E+02 -1.1595E+04  1.8584E+03 -1.3542E+04  0.0000E+00  7.3420E+01  1.5222E+01  0.0000E+00
 averages -1.0000E+04  0.0000E+00  6.9189E+03 -4.7239E+04  1.3543E+04  0.0000E+00  0.0000E+00  4.0614E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1227E+00
 ------------------------------------------------------------------------------------------------------------------------
     2690 -9.0957E+03  3.0630E+02 -1.1589E+04  1.8340E+03 -1.3521E+04  0.0000E+00  7.9411E+01  1.8338E+01  0.0000E+00
   2.690p -1.0066E+04  0.0000E+00  7.1098E+03 -4.6930E+04  1.3521E+04  0.0000E+00  0.0000E+00  4.0519E+04  0.0000E+00
   3.964m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2234E+00

  rolling -9.0958E+03  3.0703E+02 -1.1595E+04  1.8607E+03 -1.3544E+04  0.0000E+00  7.2717E+01  1.5591E+01  0.0000E+00
 averages -9.9949E+03  0.0000E+00  6.9042E+03 -4.7268E+04  1.3546E+04  0.0000E+00  0.0000E+00  4.0627E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1147E+00
 ------------------------------------------------------------------------------------------------------------------------
     2700 -9.0959E+03  3.1029E+02 -1.1619E+04  1.8362E+03 -1.3538E+04  0.0000E+00  6.3956E+01  1.8403E+01  0.0000E+00
   2.700p -9.9539E+03  0.0000E+00  6.8343E+03 -4.6981E+04  1.3537E+04  0.0000E+00  0.0000E+00  4.0279E+04  0.0000E+00
   3.978m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0547E+00

  rolling -9.0958E+03  3.0729E+02 -1.1597E+04  1.8600E+03 -1.3546E+04  0.0000E+00  7.2719E+01  1.5883E+01  0.0000E+00
 averages -1.0004E+04  0.0000E+00  6.9368E+03 -4.7260E+04  1.3547E+04  0.0000E+00  0.0000E+00  4.0650E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1290E+00
 ------------------------------------------------------------------------------------------------------------------------
     2710 -9.0958E+03  3.0768E+02 -1.1599E+04  1.8268E+03 -1.3517E+04  0.0000E+00  7.0863E+01  2.0355E+01  0.0000E+00
   2.710p -9.9310E+03  0.0000E+00  6.7267E+03 -4.6843E+04  1.3516E+04  0.0000E+00  0.0000E+00  4.0054E+04  0.0000E+00
   3.992m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0206E+00

  rolling -9.0958E+03  3.0751E+02 -1.1599E+04  1.8563E+03 -1.3543E+04  0.0000E+00  7.1604E+01  1.6336E+01  0.0000E+00
 averages -9.9975E+03  0.0000E+00  6.9204E+03 -4.7214E+04  1.3544E+04  0.0000E+00  0.0000E+00  4.0591E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1191E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.0245E+02 -1.1559E+04  1.8307E+03 -1.3473E+04  0.0000E+00  6.7508E+01  1.5718E+01  0.0000E+00
   2.720p -9.8975E+03  0.0000E+00  6.5473E+03 -4.6894E+04  1.3472E+04  0.0000E+00  0.0000E+00  3.9970E+04  0.0000E+00
   4.006m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.7066E-01

  rolling -9.0958E+03  3.0734E+02 -1.1597E+04  1.8504E+03 -1.3535E+04  0.0000E+00  7.0962E+01  1.6298E+01  0.0000E+00
 averages -9.9993E+03  0.0000E+00  6.9237E+03 -4.7139E+04  1.3536E+04  0.0000E+00  0.0000E+00  4.0527E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1221E+00
 ------------------------------------------------------------------------------------------------------------------------
     2730 -9.0958E+03  3.0787E+02 -1.1600E+04  1.8184E+03 -1.3502E+04  0.0000E+00  6.9863E+01  1.4243E+01  0.0000E+00
   2.730p -1.0214E+04  0.0000E+00  7.5801E+03 -4.6719E+04  1.3502E+04  0.0000E+00  0.0000E+00  4.0797E+04  0.0000E+00
   4.020m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4473E+00

  rolling -9.0958E+03  3.0732E+02 -1.1597E+04  1.8463E+03 -1.3529E+04  0.0000E+00  7.0128E+01  1.5972E+01  0.0000E+00
 averages -9.9944E+03  0.0000E+00  6.9095E+03 -4.7090E+04  1.3530E+04  0.0000E+00  0.0000E+00  4.0469E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1151E+00
 ------------------------------------------------------------------------------------------------------------------------
     2740 -9.0958E+03  3.0928E+02 -1.1610E+04  1.7989E+03 -1.3495E+04  0.0000E+00  7.0463E+01  1.5211E+01  0.0000E+00
   2.740p -1.0350E+04  0.0000E+00  8.0112E+03 -4.6463E+04  1.3495E+04  0.0000E+00  0.0000E+00  4.0980E+04  0.0000E+00
   4.034m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6527E+00

  rolling -9.0958E+03  3.0756E+02 -1.1598E+04  1.8416E+03 -1.3526E+04  0.0000E+00  7.0034E+01  1.6118E+01  0.0000E+00
 averages -1.0027E+04  0.0000E+00  7.0100E+03 -4.7029E+04  1.3527E+04  0.0000E+00  0.0000E+00  4.0512E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1637E+00
 ------------------------------------------------------------------------------------------------------------------------
     2750 -9.0956E+03  2.9931E+02 -1.1534E+04  1.7810E+03 -1.3405E+04  0.0000E+00  7.3570E+01  1.6229E+01  0.0000E+00
   2.750p -1.0179E+04  0.0000E+00  7.3464E+03 -4.6225E+04  1.3405E+04  0.0000E+00  0.0000E+00  4.0166E+04  0.0000E+00
   4.048m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3956E+00

  rolling -9.0958E+03  3.0709E+02 -1.1595E+04  1.8350E+03 -1.3516E+04  0.0000E+00  6.9869E+01  1.6198E+01  0.0000E+00
 averages -1.0050E+04  0.0000E+00  7.0750E+03 -4.6944E+04  1.3516E+04  0.0000E+00  0.0000E+00  4.0503E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1998E+00
 ------------------------------------------------------------------------------------------------------------------------
     2760 -9.0958E+03  3.0626E+02 -1.1587E+04  1.7648E+03 -1.3441E+04  0.0000E+00  7.0604E+01  1.8832E+01  0.0000E+00
   2.760p -1.0218E+04  0.0000E+00  7.5692E+03 -4.5999E+04  1.3442E+04  0.0000E+00  0.0000E+00  4.0127E+04  0.0000E+00
   4.062m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4542E+00

  rolling -9.0958E+03  3.0697E+02 -1.1593E+04  1.8245E+03 -1.3505E+04  0.0000E+00  7.0433E+01  1.6745E+01  0.0000E+00
 averages -1.0085E+04  0.0000E+00  7.1782E+03 -4.6805E+04  1.3505E+04  0.0000E+00  0.0000E+00  4.0478E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2526E+00
 ------------------------------------------------------------------------------------------------------------------------
     2770 -9.0959E+03  3.0903E+02 -1.1607E+04  1.7675E+03 -1.3456E+04  0.0000E+00  6.5510E+01  1.5484E+01  0.0000E+00
   2.770p -1.0164E+04  0.0000E+00  7.4506E+03 -4.6013E+04  1.3457E+04  0.0000E+00  0.0000E+00  4.0006E+04  0.0000E+00
   4.076m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3735E+00

  rolling -9.0958E+03  3.0752E+02 -1.1597E+04  1.8146E+03 -1.3498E+04  0.0000E+00  6.9628E+01  1.6822E+01  0.0000E+00
 averages -1.0111E+04  0.0000E+00  7.2663E+03 -4.6672E+04  1.3498E+04  0.0000E+00  0.0000E+00  4.0440E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2926E+00
 ------------------------------------------------------------------------------------------------------------------------
     2780 -9.0958E+03  3.0407E+02 -1.1569E+04  1.7631E+03 -1.3426E+04  0.0000E+00  7.4491E+01  1.8964E+01  0.0000E+00
   2.780p -1.0254E+04  0.0000E+00  7.6467E+03 -4.5931E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0150E+04  0.0000E+00
   4.089m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5098E+00

  rolling -9.0958E+03  3.0666E+02 -1.1590E+04  1.8056E+03 -1.3483E+04  0.0000E+00  6.9921E+01  1.7106E+01  0.0000E+00
 averages -1.0117E+04  0.0000E+00  7.2718E+03 -4.6549E+04  1.3483E+04  0.0000E+00  0.0000E+00  4.0338E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3019E+00
 ------------------------------------------------------------------------------------------------------------------------
     2790 -9.0959E+03  3.0301E+02 -1.1561E+04  1.7738E+03 -1.3425E+04  0.0000E+00  7.3579E+01  1.6723E+01  0.0000E+00
   2.790p -1.0247E+04  0.0000E+00  7.6120E+03 -4.6077E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0263E+04  0.0000E+00
   4.104m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5005E+00

  rolling -9.0958E+03  3.0618E+02 -1.1586E+04  1.7988E+03 -1.3472E+04  0.0000E+00  6.9689E+01  1.7071E+01  0.0000E+00
 averages -1.0132E+04  0.0000E+00  7.3099E+03 -4.6452E+04  1.3472E+04  0.0000E+00  0.0000E+00  4.0290E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3247E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0959E+03  3.0319E+02 -1.1562E+04  1.7614E+03 -1.3415E+04  0.0000E+00  7.3897E+01  1.8418E+01  0.0000E+00
   2.800p -1.0400E+04  0.0000E+00  8.0749E+03 -4.5903E+04  1.3417E+04  0.0000E+00  0.0000E+00  4.0561E+04  0.0000E+00
   4.118m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7313E+00

  rolling -9.0958E+03  3.0553E+02 -1.1581E+04  1.7922E+03 -1.3460E+04  0.0000E+00  6.9975E+01  1.7086E+01  0.0000E+00
 averages -1.0164E+04  0.0000E+00  7.3968E+03 -4.6357E+04  1.3461E+04  0.0000E+00  0.0000E+00  4.0293E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3733E+00
 ------------------------------------------------------------------------------------------------------------------------
     2810 -9.0961E+03  3.0553E+02 -1.1579E+04  1.7468E+03 -1.3410E+04  0.0000E+00  6.9244E+01  1.4660E+01  0.0000E+00
   2.810p -1.0229E+04  0.0000E+00  7.5977E+03 -4.5756E+04  1.3413E+04  0.0000E+00  0.0000E+00  3.9940E+04  0.0000E+00
   4.132m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4740E+00

  rolling -9.0958E+03  3.0511E+02 -1.1578E+04  1.7845E+03 -1.3450E+04  0.0000E+00  7.0593E+01  1.6757E+01  0.0000E+00
 averages -1.0203E+04  0.0000E+00  7.5079E+03 -4.6250E+04  1.3450E+04  0.0000E+00  0.0000E+00  4.0308E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4322E+00
 ------------------------------------------------------------------------------------------------------------------------
     2820 -9.0961E+03  3.0765E+02 -1.1595E+04  1.7231E+03 -1.3401E+04  0.0000E+00  6.8927E+01  1.4149E+01  0.0000E+00
   2.820p -1.0274E+04  0.0000E+00  7.7660E+03 -4.5461E+04  1.3403E+04  0.0000E+00  0.0000E+00  3.9824E+04  0.0000E+00
   4.146m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5422E+00

  rolling -9.0958E+03  3.0519E+02 -1.1578E+04  1.7750E+03 -1.3440E+04  0.0000E+00  7.0688E+01  1.6341E+01  0.0000E+00
 averages -1.0235E+04  0.0000E+00  7.6063E+03 -4.6123E+04  1.3441E+04  0.0000E+00  0.0000E+00  4.0288E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4809E+00
 ------------------------------------------------------------------------------------------------------------------------
     2830 -9.0960E+03  3.0595E+02 -1.1581E+04  1.7451E+03 -1.3413E+04  0.0000E+00  7.0854E+01  1.5777E+01  0.0000E+00
   2.830p -1.0152E+04  0.0000E+00  7.3780E+03 -4.5762E+04  1.3415E+04  0.0000E+00  0.0000E+00  3.9725E+04  0.0000E+00
   4.160m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3606E+00

  rolling -9.0959E+03  3.0555E+02 -1.1580E+04  1.7655E+03 -1.3433E+04  0.0000E+00  7.0811E+01  1.6393E+01  0.0000E+00
 averages -1.0255E+04  0.0000E+00  7.6729E+03 -4.5997E+04  1.3434E+04  0.0000E+00  0.0000E+00  4.0236E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5116E+00
 ------------------------------------------------------------------------------------------------------------------------
     2840 -9.0960E+03  3.0388E+02 -1.1565E+04  1.7688E+03 -1.3420E+04  0.0000E+00  7.1094E+01  1.5382E+01  0.0000E+00
   2.840p -1.0282E+04  0.0000E+00  7.7361E+03 -4.6062E+04  1.3423E+04  0.0000E+00  0.0000E+00  4.0376E+04  0.0000E+00
   4.174m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5560E+00

  rolling -9.0959E+03  3.0496E+02 -1.1575E+04  1.7607E+03 -1.3424E+04  0.0000E+00  7.1095E+01  1.6429E+01  0.0000E+00
 averages -1.0239E+04  0.0000E+00  7.6169E+03 -4.5935E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0126E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4880E+00
 ------------------------------------------------------------------------------------------------------------------------
     2850 -9.0960E+03  3.0368E+02 -1.1563E+04  1.7868E+03 -1.3435E+04  0.0000E+00  6.8624E+01  1.7002E+01  0.0000E+00
   2.850p -1.0283E+04  0.0000E+00  7.7392E+03 -4.6301E+04  1.3438E+04  0.0000E+00  0.0000E+00  4.0603E+04  0.0000E+00
   4.188m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5591E+00

  rolling -9.0959E+03  3.0492E+02 -1.1575E+04  1.7598E+03 -1.3422E+04  0.0000E+00  7.1242E+01  1.6543E+01  0.0000E+00
 averages -1.0245E+04  0.0000E+00  7.6364E+03 -4.5922E+04  1.3424E+04  0.0000E+00  0.0000E+00  4.0134E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4981E+00
 ------------------------------------------------------------------------------------------------------------------------
     2860 -9.0959E+03  3.0515E+02 -1.1573E+04  1.7779E+03 -1.3441E+04  0.0000E+00  7.4035E+01  1.5783E+01  0.0000E+00
   2.860p -1.0253E+04  0.0000E+00  7.6732E+03 -4.6187E+04  1.3443E+04  0.0000E+00  0.0000E+00  4.0417E+04  0.0000E+00
   4.202m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5148E+00

  rolling -9.0959E+03  3.0507E+02 -1.1575E+04  1.7613E+03 -1.3425E+04  0.0000E+00  7.1469E+01  1.6379E+01  0.0000E+00
 averages -1.0248E+04  0.0000E+00  7.6479E+03 -4.5943E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0165E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5027E+00
 ------------------------------------------------------------------------------------------------------------------------
     2870 -9.0961E+03  3.0972E+02 -1.1608E+04  1.7904E+03 -1.3478E+04  0.0000E+00  6.5563E+01  1.4114E+01  0.0000E+00
   2.870p -1.0195E+04  0.0000E+00  7.5693E+03 -4.6350E+04  1.3481E+04  0.0000E+00  0.0000E+00  4.0438E+04  0.0000E+00
   4.216m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4277E+00

  rolling -9.0959E+03  3.0493E+02 -1.1574E+04  1.7629E+03 -1.3425E+04  0.0000E+00  7.1956E+01  1.6177E+01  0.0000E+00
 averages -1.0256E+04  0.0000E+00  7.6719E+03 -4.5966E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0211E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5158E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.0680E+02 -1.1584E+04  1.8102E+03 -1.3480E+04  0.0000E+00  6.8697E+01  1.6410E+01  0.0000E+00
   2.880p -9.9540E+03  0.0000E+00  6.8057E+03 -4.6613E+04  1.3481E+04  0.0000E+00  0.0000E+00  3.9938E+04  0.0000E+00
   4.230m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0670E+00

  rolling -9.0960E+03  3.0513E+02 -1.1575E+04  1.7666E+03 -1.3429E+04  0.0000E+00  7.1817E+01  1.5951E+01  0.0000E+00
 averages -1.0239E+04  0.0000E+00  7.6247E+03 -4.6020E+04  1.3431E+04  0.0000E+00  0.0000E+00  4.0214E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4906E+00
 ------------------------------------------------------------------------------------------------------------------------
     2890 -9.0959E+03  3.1035E+02 -1.1611E+04  1.8303E+03 -1.3530E+04  0.0000E+00  7.1555E+01  1.7547E+01  0.0000E+00
   2.890p -9.8813E+03  0.0000E+00  6.6439E+03 -4.6857E+04  1.3531E+04  0.0000E+00  0.0000E+00  3.9970E+04  0.0000E+00
   4.245m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.5864E-01

  rolling -9.0960E+03  3.0564E+02 -1.1578E+04  1.7717E+03 -1.3437E+04  0.0000E+00  7.1602E+01  1.5933E+01  0.0000E+00
 averages -1.0204E+04  0.0000E+00  7.5306E+03 -4.6092E+04  1.3440E+04  0.0000E+00  0.0000E+00  4.0183E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4396E+00
 ------------------------------------------------------------------------------------------------------------------------
     2900 -9.0957E+03  3.0594E+02 -1.1576E+04  1.8396E+03 -1.3507E+04  0.0000E+00  7.5906E+01  1.5468E+01  0.0000E+00
   2.900p -1.0032E+04  0.0000E+00  7.0322E+03 -4.6962E+04  1.3508E+04  0.0000E+00  0.0000E+00  4.0487E+04  0.0000E+00
   4.259m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1872E+00

  rolling -9.0959E+03  3.0624E+02 -1.1582E+04  1.7787E+03 -1.3448E+04  0.0000E+00  7.1458E+01  1.5759E+01  0.0000E+00
 averages -1.0164E+04  0.0000E+00  7.4219E+03 -4.6187E+04  1.3450E+04  0.0000E+00  0.0000E+00  4.0159E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3804E+00
 ------------------------------------------------------------------------------------------------------------------------
     2910 -9.0957E+03  3.0712E+02 -1.1584E+04  1.8406E+03 -1.3525E+04  0.0000E+00  8.1596E+01  1.8397E+01  0.0000E+00
   2.910p -1.0123E+04  0.0000E+00  7.3235E+03 -4.6976E+04  1.3525E+04  0.0000E+00  0.0000E+00  4.0775E+04  0.0000E+00
   4.273m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3243E+00

  rolling -9.0959E+03  3.0640E+02 -1.1583E+04  1.7870E+03 -1.3457E+04  0.0000E+00  7.1971E+01  1.5823E+01  0.0000E+00
 averages -1.0145E+04  0.0000E+00  7.3685E+03 -4.6298E+04  1.3459E+04  0.0000E+00  0.0000E+00  4.0207E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3525E+00
 ------------------------------------------------------------------------------------------------------------------------
     2920 -9.0957E+03  3.0900E+02 -1.1598E+04  1.8650E+03 -1.3555E+04  0.0000E+00  7.7910E+01  1.4199E+01  0.0000E+00
   2.920p -1.0132E+04  0.0000E+00  7.3815E+03 -4.7277E+04  1.3555E+04  0.0000E+00  0.0000E+00  4.1103E+04  0.0000E+00
   4.287m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3390E+00

  rolling -9.0959E+03  3.0667E+02 -1.1584E+04  1.7990E+03 -1.3471E+04  0.0000E+00  7.2200E+01  1.6032E+01  0.0000E+00
 averages -1.0135E+04  0.0000E+00  7.3435E+03 -4.6452E+04  1.3473E+04  0.0000E+00  0.0000E+00  4.0322E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3378E+00
 ------------------------------------------------------------------------------------------------------------------------
     2930 -9.0959E+03  3.1384E+02 -1.1634E+04  1.8902E+03 -1.3615E+04  0.0000E+00  7.0514E+01  1.9439E+01  0.0000E+00
   2.930p -9.9967E+03  0.0000E+00  7.0520E+03 -4.7605E+04  1.3615E+04  0.0000E+00  0.0000E+00  4.1042E+04  0.0000E+00
   4.301m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1367E+00

  rolling -9.0959E+03  3.0714E+02 -1.1587E+04  1.8138E+03 -1.3489E+04  0.0000E+00  7.2746E+01  1.6219E+01  0.0000E+00
 averages -1.0121E+04  0.0000E+00  7.3106E+03 -4.6640E+04  1.3491E+04  0.0000E+00  0.0000E+00  4.0459E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3177E+00
 ------------------------------------------------------------------------------------------------------------------------
     2940 -9.0958E+03  3.1083E+02 -1.1611E+04  1.8922E+03 -1.3594E+04  0.0000E+00  7.3429E+01  1.8117E+01  0.0000E+00
   2.940p -9.7582E+03  0.0000E+00  6.2931E+03 -4.7625E+04  1.3595E+04  0.0000E+00  0.0000E+00  4.0322E+04  0.0000E+00
   4.316m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.7906E-01

  rolling -9.0959E+03  3.0787E+02 -1.1592E+04  1.8273E+03 -1.3508E+04  0.0000E+00  7.2746E+01  1.6557E+01  0.0000E+00
 averages -1.0084E+04  0.0000E+00  7.2150E+03 -4.6812E+04  1.3510E+04  0.0000E+00  0.0000E+00  4.0518E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2641E+00
 ------------------------------------------------------------------------------------------------------------------------
     2950 -9.0959E+03  3.0994E+02 -1.1603E+04  1.8717E+03 -1.3566E+04  0.0000E+00  6.9029E+01  2.2081E+01  0.0000E+00
   2.950p -9.9241E+03  0.0000E+00  6.7793E+03 -4.7341E+04  1.3568E+04  0.0000E+00  0.0000E+00  4.0552E+04  0.0000E+00
   4.330m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0297E+00

  rolling -9.0959E+03  3.0866E+02 -1.1597E+04  1.8374E+03 -1.3524E+04  0.0000E+00  7.2634E+01  1.6940E+01  0.0000E+00
 averages -1.0039E+04  0.0000E+00  7.0936E+03 -4.6938E+04  1.3525E+04  0.0000E+00  0.0000E+00  4.0507E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1972E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.0328E+02 -1.1552E+04  1.8342E+03 -1.3466E+04  0.0000E+00  6.0737E+01  1.9082E+01  0.0000E+00
   2.960p -1.0014E+04  0.0000E+00  6.9496E+03 -4.6835E+04  1.3469E+04  0.0000E+00  0.0000E+00  4.0316E+04  0.0000E+00
   4.344m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1661E+00

  rolling -9.0959E+03  3.0882E+02 -1.1597E+04  1.8444E+03 -1.3531E+04  0.0000E+00  7.1719E+01  1.7315E+01  0.0000E+00
 averages -1.0011E+04  0.0000E+00  7.0155E+03 -4.7022E+04  1.3532E+04  0.0000E+00  0.0000E+00  4.0505E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1568E+00
 ------------------------------------------------------------------------------------------------------------------------
     2970 -9.0959E+03  3.1072E+02 -1.1608E+04  1.7864E+03 -1.3490E+04  0.0000E+00  7.2983E+01  2.3160E+01  0.0000E+00
   2.970p -1.0323E+04  0.0000E+00  7.9925E+03 -4.6210E+04  1.3491E+04  0.0000E+00  0.0000E+00  4.0711E+04  0.0000E+00
   4.358m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6324E+00

  rolling -9.0958E+03  3.0869E+02 -1.1596E+04  1.8467E+03 -1.3532E+04  0.0000E+00  7.1792E+01  1.7971E+01  0.0000E+00
 averages -1.0005E+04  0.0000E+00  6.9964E+03 -4.7042E+04  1.3533E+04  0.0000E+00  0.0000E+00  4.0506E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1482E+00
 ------------------------------------------------------------------------------------------------------------------------
     2980 -9.0958E+03  3.1427E+02 -1.1634E+04  1.7730E+03 -1.3489E+04  0.0000E+00  6.3495E+01  1.8916E+01  0.0000E+00
   2.980p -1.0307E+04  0.0000E+00  8.0017E+03 -4.6030E+04  1.3491E+04  0.0000E+00  0.0000E+00  4.0541E+04  0.0000E+00
   4.373m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6098E+00

  rolling -9.0958E+03  3.0926E+02 -1.1599E+04  1.8439E+03 -1.3533E+04  0.0000E+00  7.1326E+01  1.8566E+01  0.0000E+00
 averages -1.0035E+04  0.0000E+00  7.0968E+03 -4.6997E+04  1.3534E+04  0.0000E+00  0.0000E+00  4.0560E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1942E+00
 ------------------------------------------------------------------------------------------------------------------------
     2990 -9.0959E+03  3.1563E+02 -1.1644E+04  1.7900E+03 -1.3527E+04  0.0000E+00  7.0048E+01  2.3666E+01  0.0000E+00
   2.990p -1.0148E+04  0.0000E+00  7.5477E+03 -4.6240E+04  1.3528E+04  0.0000E+00  0.0000E+00  4.0260E+04  0.0000E+00
   4.387m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3717E+00

  rolling -9.0958E+03  3.1002E+02 -1.1604E+04  1.8398E+03 -1.3534E+04  0.0000E+00  7.0846E+01  1.8921E+01  0.0000E+00
 averages -1.0068E+04  0.0000E+00  7.2116E+03 -4.6933E+04  1.3535E+04  0.0000E+00  0.0000E+00  4.0610E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2460E+00
 ------------------------------------------------------------------------------------------------------------------------
     3000 -9.0958E+03  3.0400E+02 -1.1554E+04  1.8286E+03 -1.3471E+04  0.0000E+00  6.9214E+01  1.9026E+01  0.0000E+00
   3.000p -9.9492E+03  0.0000E+00  6.7753E+03 -4.6758E+04  1.3472E+04  0.0000E+00  0.0000E+00  4.0060E+04  0.0000E+00
   4.401m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0732E+00

  rolling -9.0958E+03  3.1013E+02 -1.1604E+04  1.8370E+03 -1.3532E+04  0.0000E+00  7.0578E+01  1.9491E+01  0.0000E+00
 averages -1.0078E+04  0.0000E+00  7.2429E+03 -4.6890E+04  1.3532E+04  0.0000E+00  0.0000E+00  4.0600E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2609E+00
 ------------------------------------------------------------------------------------------------------------------------
     3010 -9.0958E+03  3.0215E+02 -1.1539E+04  1.8435E+03 -1.3473E+04  0.0000E+00  6.7876E+01  2.2276E+01  0.0000E+00
   3.010p -9.9612E+03  0.0000E+00  6.7853E+03 -4.6950E+04  1.3474E+04  0.0000E+00  0.0000E+00  4.0261E+04  0.0000E+00
   4.418m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0924E+00

  rolling -9.0959E+03  3.0971E+02 -1.1601E+04  1.8369E+03 -1.3527E+04  0.0000E+00  6.9440E+01  1.9768E+01  0.0000E+00
 averages -1.0060E+04  0.0000E+00  7.1847E+03 -4.6883E+04  1.3528E+04  0.0000E+00  0.0000E+00  4.0540E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2349E+00
 ------------------------------------------------------------------------------------------------------------------------
     3020 -9.0958E+03  3.0864E+02 -1.1588E+04  1.8451E+03 -1.3523E+04  0.0000E+00  7.0487E+01  1.9491E+01  0.0000E+00
   3.020p -1.0056E+04  0.0000E+00  7.1708E+03 -4.6987E+04  1.3523E+04  0.0000E+00  0.0000E+00  4.0635E+04  0.0000E+00
   4.432m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2361E+00

  rolling -9.0959E+03  3.0938E+02 -1.1597E+04  1.8364E+03 -1.3523E+04  0.0000E+00  6.9046E+01  2.0345E+01  0.0000E+00
 averages -1.0046E+04  0.0000E+00  7.1417E+03 -4.6871E+04  1.3524E+04  0.0000E+00  0.0000E+00  4.0488E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2158E+00
 ------------------------------------------------------------------------------------------------------------------------
     3030 -9.0957E+03  3.0808E+02 -1.1583E+04  1.8224E+03 -1.3498E+04  0.0000E+00  7.2826E+01  2.0247E+01  0.0000E+00
   3.030p -1.0215E+04  0.0000E+00  7.6429E+03 -4.6705E+04  1.3498E+04  0.0000E+00  0.0000E+00  4.0850E+04  0.0000E+00
   4.447m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4772E+00

  rolling -9.0959E+03  3.0914E+02 -1.1595E+04  1.8319E+03 -1.3515E+04  0.0000E+00  6.8169E+01  2.0575E+01  0.0000E+00
 averages -1.0053E+04  0.0000E+00  7.1618E+03 -4.6811E+04  1.3516E+04  0.0000E+00  0.0000E+00  4.0456E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2278E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0958E+03  3.1343E+02 -1.1623E+04  1.8035E+03 -1.3511E+04  0.0000E+00  6.6052E+01  1.8697E+01  0.0000E+00
   3.040p -1.0218E+04  0.0000E+00  7.7362E+03 -4.6470E+04  1.3510E+04  0.0000E+00  0.0000E+00  4.0696E+04  0.0000E+00
   4.461m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4831E+00

  rolling -9.0958E+03  3.0902E+02 -1.1593E+04  1.8235E+03 -1.3505E+04  0.0000E+00  6.7608E+01  2.0644E+01  0.0000E+00
 averages -1.0096E+04  0.0000E+00  7.2890E+03 -4.6700E+04  1.3506E+04  0.0000E+00  0.0000E+00  4.0483E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2925E+00
 ------------------------------------------------------------------------------------------------------------------------
     3050 -9.0957E+03  3.1285E+02 -1.1618E+04  1.7927E+03 -1.3495E+04  0.0000E+00  6.2944E+01  2.1950E+01  0.0000E+00
   3.050p -1.0092E+04  0.0000E+00  7.3502E+03 -4.6336E+04  1.3495E+04  0.0000E+00  0.0000E+00  4.0192E+04  0.0000E+00
   4.475m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2939E+00

  rolling -9.0958E+03  3.0924E+02 -1.1594E+04  1.8151E+03 -1.3497E+04  0.0000E+00  6.7215E+01  2.0670E+01  0.0000E+00
 averages -1.0122E+04  0.0000E+00  7.3744E+03 -4.6593E+04  1.3498E+04  0.0000E+00  0.0000E+00  4.0469E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3336E+00
 ------------------------------------------------------------------------------------------------------------------------
     3060 -9.0958E+03  3.1793E+02 -1.1656E+04  1.8087E+03 -1.3549E+04  0.0000E+00  6.5651E+01  1.9176E+01  0.0000E+00
   3.060p -1.0145E+04  0.0000E+00  7.5884E+03 -4.6541E+04  1.3547E+04  0.0000E+00  0.0000E+00  4.0582E+04  0.0000E+00
   4.489m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3745E+00

  rolling -9.0958E+03  3.1017E+02 -1.1600E+04  1.8097E+03 -1.3498E+04  0.0000E+00  6.7335E+01  2.0678E+01  0.0000E+00
 averages -1.0138E+04  0.0000E+00  7.4381E+03 -4.6525E+04  1.3498E+04  0.0000E+00  0.0000E+00  4.0465E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3585E+00
 ------------------------------------------------------------------------------------------------------------------------
     3070 -9.0957E+03  3.1119E+02 -1.1603E+04  1.8641E+03 -1.3557E+04  0.0000E+00  6.8119E+01  2.1694E+01  0.0000E+00
   3.070p -9.8507E+03  0.0000E+00  6.6058E+03 -4.7262E+04  1.3557E+04  0.0000E+00  0.0000E+00  4.0311E+04  0.0000E+00
   4.503m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.3317E-01

  rolling -9.0958E+03  3.1103E+02 -1.1606E+04  1.8130E+03 -1.3507E+04  0.0000E+00  6.7201E+01  2.0563E+01  0.0000E+00
 averages -1.0118E+04  0.0000E+00  7.3935E+03 -4.6572E+04  1.3507E+04  0.0000E+00  0.0000E+00  4.0459E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3295E+00
 ------------------------------------------------------------------------------------------------------------------------
     3080 -9.0957E+03  3.0331E+02 -1.1543E+04  1.8827E+03 -1.3510E+04  0.0000E+00  6.4322E+01  2.0434E+01  0.0000E+00
   3.080p -9.8590E+03  0.0000E+00  6.5128E+03 -4.7496E+04  1.3510E+04  0.0000E+00  0.0000E+00  4.0499E+04  0.0000E+00
   4.517m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.4674E-01

  rolling -9.0958E+03  3.1035E+02 -1.1600E+04  1.8235E+03 -1.3511E+04  0.0000E+00  6.7215E+01  2.0607E+01  0.0000E+00
 averages -1.0067E+04  0.0000E+00  7.2324E+03 -4.6712E+04  1.3511E+04  0.0000E+00  0.0000E+00  4.0433E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2539E+00
 ------------------------------------------------------------------------------------------------------------------------
     3090 -9.0958E+03  3.0388E+02 -1.1546E+04  1.8618E+03 -1.3488E+04  0.0000E+00  5.9532E+01  2.0765E+01  0.0000E+00
   3.090p -9.9299E+03  0.0000E+00  6.7361E+03 -4.7245E+04  1.3489E+04  0.0000E+00  0.0000E+00  4.0492E+04  0.0000E+00
   4.532m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0545E+00

  rolling -9.0958E+03  3.0897E+02 -1.1589E+04  1.8329E+03 -1.3509E+04  0.0000E+00  6.6921E+01  2.0490E+01  0.0000E+00
 averages -1.0034E+04  0.0000E+00  7.1148E+03 -4.6840E+04  1.3509E+04  0.0000E+00  0.0000E+00  4.0446E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2055E+00
 ------------------------------------------------------------------------------------------------------------------------
     3100 -9.0959E+03  3.0702E+02 -1.1570E+04  1.8327E+03 -1.3498E+04  0.0000E+00  7.3185E+01  2.2484E+01  0.0000E+00
   3.100p -1.0016E+04  0.0000E+00  7.0452E+03 -4.6863E+04  1.3498E+04  0.0000E+00  0.0000E+00  4.0409E+04  0.0000E+00
   4.546m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1854E+00

  rolling -9.0958E+03  3.0861E+02 -1.1585E+04  1.8362E+03 -1.3509E+04  0.0000E+00  6.6838E+01  2.0537E+01  0.0000E+00
 averages -1.0029E+04  0.0000E+00  7.0956E+03 -4.6890E+04  1.3509E+04  0.0000E+00  0.0000E+00  4.0476E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1985E+00
 ------------------------------------------------------------------------------------------------------------------------
     3110 -9.0956E+03  3.0234E+02 -1.1533E+04  1.8221E+03 -1.3435E+04  0.0000E+00  5.9663E+01  2.0486E+01  0.0000E+00
   3.110p -9.8454E+03  0.0000E+00  6.4643E+03 -4.6728E+04  1.3433E+04  0.0000E+00  0.0000E+00  3.9760E+04  0.0000E+00
   4.560m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.2991E-01

  rolling -9.0958E+03  3.0884E+02 -1.1586E+04  1.8350E+03 -1.3509E+04  0.0000E+00  6.7029E+01  2.0666E+01  0.0000E+00
 averages -1.0028E+04  0.0000E+00  7.0998E+03 -4.6879E+04  1.3509E+04  0.0000E+00  0.0000E+00  4.0470E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1989E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0959E+03  3.0820E+02 -1.1577E+04  1.7998E+03 -1.3467E+04  0.0000E+00  6.5551E+01  2.4688E+01  0.0000E+00
   3.120p -9.9419E+03  0.0000E+00  6.8452E+03 -4.6424E+04  1.3466E+04  0.0000E+00  0.0000E+00  3.9803E+04  0.0000E+00
   4.574m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0761E+00

  rolling -9.0957E+03  3.0869E+02 -1.1584E+04  1.8316E+03 -1.3503E+04  0.0000E+00  6.6495E+01  2.0726E+01  0.0000E+00
 averages -1.0013E+04  0.0000E+00  7.0539E+03 -4.6839E+04  1.3503E+04  0.0000E+00  0.0000E+00  4.0390E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1770E+00
 ------------------------------------------------------------------------------------------------------------------------
     3130 -9.0956E+03  3.0426E+02 -1.1546E+04  1.7710E+03 -1.3409E+04  0.0000E+00  6.9410E+01  2.2870E+01  0.0000E+00
   3.130p -1.0098E+04  0.0000E+00  7.2572E+03 -4.6034E+04  1.3408E+04  0.0000E+00  0.0000E+00  3.9883E+04  0.0000E+00
   4.588m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3130E+00

  rolling -9.0957E+03  3.0859E+02 -1.1583E+04  1.8263E+03 -1.3497E+04  0.0000E+00  6.6416E+01  2.1317E+01  0.0000E+00
 averages -1.0003E+04  0.0000E+00  7.0260E+03 -4.6771E+04  1.3496E+04  0.0000E+00  0.0000E+00  4.0301E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1639E+00
 ------------------------------------------------------------------------------------------------------------------------
     3140 -9.0957E+03  3.0089E+02 -1.1519E+04  1.7604E+03 -1.3370E+04  0.0000E+00  7.1467E+01  1.8971E+01  0.0000E+00
   3.140p -1.0191E+04  0.0000E+00  7.4874E+03 -4.5871E+04  1.3371E+04  0.0000E+00  0.0000E+00  3.9988E+04  0.0000E+00
   4.602m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4541E+00

  rolling -9.0957E+03  3.0765E+02 -1.1575E+04  1.8218E+03 -1.3484E+04  0.0000E+00  6.5940E+01  2.1268E+01  0.0000E+00
 averages -9.9930E+03  0.0000E+00  6.9837E+03 -4.6710E+04  1.3483E+04  0.0000E+00  0.0000E+00  4.0211E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1498E+00
 ------------------------------------------------------------------------------------------------------------------------
     3150 -9.0959E+03  3.0861E+02 -1.1577E+04  1.7609E+03 -1.3438E+04  0.0000E+00  8.0543E+01  1.8806E+01  0.0000E+00
   3.150p -1.0340E+04  0.0000E+00  8.0524E+03 -4.5858E+04  1.3440E+04  0.0000E+00  0.0000E+00  4.0470E+04  0.0000E+00
   4.616m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6786E+00

  rolling -9.0958E+03  3.0688E+02 -1.1568E+04  1.8179E+03 -1.3474E+04  0.0000E+00  6.7143E+01  2.1252E+01  0.0000E+00
 averages -1.0010E+04  0.0000E+00  7.0239E+03 -4.6654E+04  1.3474E+04  0.0000E+00  0.0000E+00  4.0204E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1759E+00
 ------------------------------------------------------------------------------------------------------------------------
     3160 -9.0959E+03  3.0777E+02 -1.1570E+04  1.7709E+03 -1.3423E+04  0.0000E+00  6.3086E+01  1.8831E+01  0.0000E+00
   3.160p -1.0268E+04  0.0000E+00  7.8281E+03 -4.5979E+04  1.3424E+04  0.0000E+00  0.0000E+00  4.0383E+04  0.0000E+00
   4.631m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5725E+00

  rolling -9.0958E+03  3.0629E+02 -1.1563E+04  1.8146E+03 -1.3466E+04  0.0000E+00  6.7403E+01  2.0888E+01  0.0000E+00
 averages -1.0030E+04  0.0000E+00  7.0780E+03 -4.6604E+04  1.3466E+04  0.0000E+00  0.0000E+00  4.0216E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2075E+00
 ------------------------------------------------------------------------------------------------------------------------
     3170 -9.0959E+03  3.0810E+02 -1.1572E+04  1.7892E+03 -1.3451E+04  0.0000E+00  6.5859E+01  2.4252E+01  0.0000E+00
   3.170p -1.0075E+04  0.0000E+00  7.2567E+03 -4.6215E+04  1.3450E+04  0.0000E+00  0.0000E+00  4.0022E+04  0.0000E+00
   4.644m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2833E+00

  rolling -9.0958E+03  3.0546E+02 -1.1556E+04  1.8089E+03 -1.3453E+04  0.0000E+00  6.7440E+01  2.1219E+01  0.0000E+00
 averages -1.0046E+04  0.0000E+00  7.1167E+03 -4.6524E+04  1.3454E+04  0.0000E+00  0.0000E+00  4.0187E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2333E+00
 ------------------------------------------------------------------------------------------------------------------------
     3180 -9.0956E+03  3.0088E+02 -1.1515E+04  1.8186E+03 -1.3423E+04  0.0000E+00  6.8387E+01  2.1307E+01  0.0000E+00
   3.180p -9.8809E+03  0.0000E+00  6.5682E+03 -4.6604E+04  1.3423E+04  0.0000E+00  0.0000E+00  3.9749E+04  0.0000E+00
   4.658m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.9313E-01

  rolling -9.0958E+03  3.0511E+02 -1.1552E+04  1.8017E+03 -1.3443E+04  0.0000E+00  6.8229E+01  2.1220E+01  0.0000E+00
 averages -1.0057E+04  0.0000E+00  7.1459E+03 -4.6423E+04  1.3444E+04  0.0000E+00  0.0000E+00  4.0125E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2506E+00
 ------------------------------------------------------------------------------------------------------------------------
     3190 -9.0959E+03  3.1041E+02 -1.1587E+04  1.8257E+03 -1.3501E+04  0.0000E+00  6.1284E+01  2.6668E+01  0.0000E+00
   3.190p -1.0069E+04  0.0000E+00  7.2794E+03 -4.6692E+04  1.3500E+04  0.0000E+00  0.0000E+00  4.0471E+04  0.0000E+00
   4.672m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2770E+00

  rolling -9.0958E+03  3.0548E+02 -1.1554E+04  1.7967E+03 -1.3441E+04  0.0000E+00  6.8428E+01  2.1759E+01  0.0000E+00
 averages -1.0063E+04  0.0000E+00  7.1721E+03 -4.6351E+04  1.3441E+04  0.0000E+00  0.0000E+00  4.0082E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2610E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.0198E+02 -1.1521E+04  1.8191E+03 -1.3430E+04  0.0000E+00  6.9954E+01  1.9451E+01  0.0000E+00
   3.200p -1.0069E+04  0.0000E+00  7.1549E+03 -4.6624E+04  1.3431E+04  0.0000E+00  0.0000E+00  4.0348E+04  0.0000E+00
   4.687m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2790E+00

  rolling -9.0958E+03  3.0547E+02 -1.1553E+04  1.7945E+03 -1.3438E+04  0.0000E+00  6.8237E+01  2.1812E+01  0.0000E+00
 averages -1.0074E+04  0.0000E+00  7.2089E+03 -4.6315E+04  1.3438E+04  0.0000E+00  0.0000E+00  4.0086E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2795E+00
 ------------------------------------------------------------------------------------------------------------------------
     3210 -9.0958E+03  3.0795E+02 -1.1566E+04  1.8025E+03 -1.3464E+04  0.0000E+00  7.5469E+01  2.0221E+01  0.0000E+00
   3.210p -1.0082E+04  0.0000E+00  7.2885E+03 -4.6425E+04  1.3465E+04  0.0000E+00  0.0000E+00  4.0249E+04  0.0000E+00
   4.701m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3003E+00

  rolling -9.0958E+03  3.0557E+02 -1.1553E+04  1.7930E+03 -1.3436E+04  0.0000E+00  6.8524E+01  2.1578E+01  0.0000E+00
 averages -1.0090E+04  0.0000E+00  7.2602E+03 -4.6290E+04  1.3436E+04  0.0000E+00  0.0000E+00  4.0114E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3045E+00
 ------------------------------------------------------------------------------------------------------------------------
     3220 -9.0956E+03  3.0340E+02 -1.1530E+04  1.8030E+03 -1.3419E+04  0.0000E+00  6.3059E+01  2.2461E+01  0.0000E+00
   3.220p -9.9818E+03  0.0000E+00  6.9223E+03 -4.6438E+04  1.3418E+04  0.0000E+00  0.0000E+00  3.9941E+04  0.0000E+00
   4.716m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1515E+00

  rolling -9.0958E+03  3.0580E+02 -1.1554E+04  1.7915E+03 -1.3435E+04  0.0000E+00  6.8693E+01  2.1523E+01  0.0000E+00
 averages -1.0109E+04  0.0000E+00  7.3247E+03 -4.6267E+04  1.3436E+04  0.0000E+00  0.0000E+00  4.0156E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3350E+00
 ------------------------------------------------------------------------------------------------------------------------
     3230 -9.0958E+03  3.1177E+02 -1.1593E+04  1.8195E+03 -1.3502E+04  0.0000E+00  6.8319E+01  2.1338E+01  0.0000E+00
   3.230p -9.9743E+03  0.0000E+00  7.0299E+03 -4.6639E+04  1.3502E+04  0.0000E+00  0.0000E+00  4.0167E+04  0.0000E+00
   4.730m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1415E+00

  rolling -9.0957E+03  3.0562E+02 -1.1551E+04  1.7946E+03 -1.3436E+04  0.0000E+00  6.8786E+01  2.1181E+01  0.0000E+00
 averages -1.0098E+04  0.0000E+00  7.2904E+03 -4.6305E+04  1.3436E+04  0.0000E+00  0.0000E+00  4.0159E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3192E+00
 ------------------------------------------------------------------------------------------------------------------------
     3240 -9.0957E+03  3.0849E+02 -1.1567E+04  1.8092E+03 -1.3468E+04  0.0000E+00  6.5617E+01  2.6254E+01  0.0000E+00
   3.240p -1.0008E+04  0.0000E+00  7.0860E+03 -4.6475E+04  1.3467E+04  0.0000E+00  0.0000E+00  4.0094E+04  0.0000E+00
   4.744m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1947E+00

  rolling -9.0958E+03  3.0677E+02 -1.1559E+04  1.7997E+03 -1.3449E+04  0.0000E+00  6.8888E+01  2.1675E+01  0.0000E+00
 averages -1.0083E+04  0.0000E+00  7.2678E+03 -4.6367E+04  1.3450E+04  0.0000E+00  0.0000E+00  4.0186E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2991E+00
 ------------------------------------------------------------------------------------------------------------------------
     3250 -9.0956E+03  3.0084E+02 -1.1507E+04  1.7796E+03 -1.3384E+04  0.0000E+00  7.4893E+01  2.1984E+01  0.0000E+00
   3.250p -1.0146E+04  0.0000E+00  7.3851E+03 -4.6070E+04  1.3384E+04  0.0000E+00  0.0000E+00  4.0071E+04  0.0000E+00
   4.758m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4033E+00

  rolling -9.0957E+03  3.0650E+02 -1.1556E+04  1.8032E+03 -1.3449E+04  0.0000E+00  6.7743E+01  2.2103E+01  0.0000E+00
 averages -1.0061E+04  0.0000E+00  7.2011E+03 -4.6410E+04  1.3449E+04  0.0000E+00  0.0000E+00  4.0162E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2677E+00
 ------------------------------------------------------------------------------------------------------------------------
     3260 -9.0956E+03  3.0392E+02 -1.1530E+04  1.7516E+03 -1.3381E+04  0.0000E+00  7.7670E+01  2.2437E+01  0.0000E+00
   3.260p -1.0372E+04  0.0000E+00  8.1145E+03 -4.5685E+04  1.3380E+04  0.0000E+00  0.0000E+00  4.0420E+04  0.0000E+00
   4.772m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7456E+00

  rolling -9.0957E+03  3.0590E+02 -1.1550E+04  1.8029E+03 -1.3444E+04  0.0000E+00  6.8737E+01  2.2564E+01  0.0000E+00
 averages -1.0058E+04  0.0000E+00  7.1856E+03 -4.6403E+04  1.3444E+04  0.0000E+00  0.0000E+00  4.0144E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2644E+00
 ------------------------------------------------------------------------------------------------------------------------
     3270 -9.0955E+03  3.0548E+02 -1.1540E+04  1.7518E+03 -1.3376E+04  0.0000E+00  6.6367E+01  1.7936E+01  0.0000E+00
   3.270p -1.0280E+04  0.0000E+00  7.8650E+03 -4.5674E+04  1.3374E+04  0.0000E+00  0.0000E+00  4.0165E+04  0.0000E+00
   4.786m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6085E+00

  rolling -9.0957E+03  3.0558E+02 -1.1547E+04  1.7996E+03 -1.3438E+04  0.0000E+00  6.9084E+01  2.2315E+01  0.0000E+00
 averages -1.0075E+04  0.0000E+00  7.2361E+03 -4.6356E+04  1.3437E+04  0.0000E+00  0.0000E+00  4.0154E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2923E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.0863E+02 -1.1563E+04  1.7540E+03 -1.3402E+04  0.0000E+00  6.4538E+01  2.0463E+01  0.0000E+00
   3.280p -1.0243E+04  0.0000E+00  7.8070E+03 -4.5700E+04  1.3398E+04  0.0000E+00  0.0000E+00  4.0108E+04  0.0000E+00
   4.800m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5553E+00

  rolling -9.0957E+03  3.0604E+02 -1.1549E+04  1.7946E+03 -1.3434E+04  0.0000E+00  6.8629E+01  2.1950E+01  0.0000E+00
 averages -1.0105E+04  0.0000E+00  7.3358E+03 -4.6284E+04  1.3434E+04  0.0000E+00  0.0000E+00  4.0186E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3388E+00
 ------------------------------------------------------------------------------------------------------------------------
     3290 -9.0955E+03  3.0568E+02 -1.1539E+04  1.7340E+03 -1.3367E+04  0.0000E+00  7.0911E+01  2.2517E+01  0.0000E+00
   3.290p -1.0222E+04  0.0000E+00  7.7040E+03 -4.5444E+04  1.3363E+04  0.0000E+00  0.0000E+00  3.9784E+04  0.0000E+00
   4.815m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5262E+00

  rolling -9.0956E+03  3.0603E+02 -1.1548E+04  1.7866E+03 -1.3425E+04  0.0000E+00  6.9114E+01  2.1681E+01  0.0000E+00
 averages -1.0132E+04  0.0000E+00  7.4191E+03 -4.6174E+04  1.3424E+04  0.0000E+00  0.0000E+00  4.0169E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3806E+00
 ------------------------------------------------------------------------------------------------------------------------
     3300 -9.0955E+03  3.1013E+02 -1.1572E+04  1.7253E+03 -1.3384E+04  0.0000E+00  6.5413E+01  2.1123E+01  0.0000E+00
   3.300p -1.0326E+04  0.0000E+00  8.0849E+03 -4.5334E+04  1.3380E+04  0.0000E+00  0.0000E+00  4.0039E+04  0.0000E+00
   4.829m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6832E+00

  rolling -9.0956E+03  3.0623E+02 -1.1548E+04  1.7771E+03 -1.3416E+04  0.0000E+00  6.9561E+01  2.1517E+01  0.0000E+00
 averages -1.0150E+04  0.0000E+00  7.4803E+03 -4.6045E+04  1.3415E+04  0.0000E+00  0.0000E+00  4.0110E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4098E+00
 ------------------------------------------------------------------------------------------------------------------------
     3310 -9.0955E+03  3.0685E+02 -1.1545E+04  1.7353E+03 -1.3375E+04  0.0000E+00  7.4532E+01  1.9633E+01  0.0000E+00
   3.310p -1.0373E+04  0.0000E+00  8.1818E+03 -4.5438E+04  1.3372E+04  0.0000E+00  0.0000E+00  4.0248E+04  0.0000E+00
   4.843m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7569E+00

  rolling -9.0956E+03  3.0654E+02 -1.1549E+04  1.7691E+03 -1.3410E+04  0.0000E+00  6.9619E+01  2.1704E+01  0.0000E+00
 averages -1.0178E+04  0.0000E+00  7.5719E+03 -4.5931E+04  1.3408E+04  0.0000E+00  0.0000E+00  4.0095E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4534E+00
 ------------------------------------------------------------------------------------------------------------------------
     3320 -9.0956E+03  3.0551E+02 -1.1534E+04  1.7555E+03 -1.3377E+04  0.0000E+00  6.5149E+01  2.2075E+01  0.0000E+00
   3.320p -1.0233E+04  0.0000E+00  7.7447E+03 -4.5701E+04  1.3375E+04  0.0000E+00  0.0000E+00  4.0071E+04  0.0000E+00
   4.857m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5479E+00

  rolling -9.0956E+03  3.0644E+02 -1.1547E+04  1.7640E+03 -1.3403E+04  0.0000E+00  7.0281E+01  2.1525E+01  0.0000E+00
 averages -1.0203E+04  0.0000E+00  7.6514E+03 -4.5853E+04  1.3401E+04  0.0000E+00  0.0000E+00  4.0103E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4940E+00
 ------------------------------------------------------------------------------------------------------------------------
     3330 -9.0956E+03  3.0915E+02 -1.1560E+04  1.7692E+03 -1.3419E+04  0.0000E+00  6.4909E+01  2.4476E+01  0.0000E+00
   3.330p -1.0202E+04  0.0000E+00  7.7105E+03 -4.5854E+04  1.3416E+04  0.0000E+00  0.0000E+00  4.0149E+04  0.0000E+00
   4.872m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5029E+00

  rolling -9.0956E+03  3.0648E+02 -1.1546E+04  1.7592E+03 -1.3397E+04  0.0000E+00  6.9980E+01  2.1789E+01  0.0000E+00
 averages -1.0230E+04  0.0000E+00  7.7359E+03 -4.5777E+04  1.3395E+04  0.0000E+00  0.0000E+00  4.0118E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5361E+00
 ------------------------------------------------------------------------------------------------------------------------
     3340 -9.0954E+03  3.0731E+02 -1.1545E+04  1.7769E+03 -1.3418E+04  0.0000E+00  7.0866E+01  2.5409E+01  0.0000E+00
   3.340p -1.0076E+04  0.0000E+00  7.3108E+03 -4.5942E+04  1.3415E+04  0.0000E+00  0.0000E+00  3.9838E+04  0.0000E+00
   4.886m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3164E+00

  rolling -9.0955E+03  3.0606E+02 -1.1542E+04  1.7553E+03 -1.3389E+04  0.0000E+00  7.0214E+01  2.1833E+01  0.0000E+00
 averages -1.0243E+04  0.0000E+00  7.7712E+03 -4.5715E+04  1.3387E+04  0.0000E+00  0.0000E+00  4.0099E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5570E+00
 ------------------------------------------------------------------------------------------------------------------------
     3350 -9.0955E+03  3.1285E+02 -1.1586E+04  1.7682E+03 -1.3455E+04  0.0000E+00  7.7251E+01  2.3502E+01  0.0000E+00
   3.350p -1.0296E+04  0.0000E+00  8.0594E+03 -4.5811E+04  1.3452E+04  0.0000E+00  0.0000E+00  4.0419E+04  0.0000E+00
   4.901m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6496E+00

  rolling -9.0955E+03  3.0673E+02 -1.1546E+04  1.7529E+03 -1.3391E+04  0.0000E+00  7.0936E+01  2.1878E+01  0.0000E+00
 averages -1.0254E+04  0.0000E+00  7.8177E+03 -4.5673E+04  1.3389E+04  0.0000E+00  0.0000E+00  4.0102E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5752E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.1423E+02 -1.1595E+04  1.7823E+03 -1.3476E+04  0.0000E+00  7.4609E+01  2.4265E+01  0.0000E+00
   3.360p -1.0367E+04  0.0000E+00  8.2971E+03 -4.5983E+04  1.3472E+04  0.0000E+00  0.0000E+00  4.0807E+04  0.0000E+00
   4.915m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7583E+00

  rolling -9.0955E+03  3.0794E+02 -1.1554E+04  1.7543E+03 -1.3400E+04  0.0000E+00  7.0521E+01  2.2039E+01  0.0000E+00
 averages -1.0260E+04  0.0000E+00  7.8582E+03 -4.5680E+04  1.3398E+04  0.0000E+00  0.0000E+00  4.0141E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5863E+00
 ------------------------------------------------------------------------------------------------------------------------
     3370 -9.0954E+03  3.0931E+02 -1.1556E+04  1.7880E+03 -1.3448E+04  0.0000E+00  7.5545E+01  2.8610E+01  0.0000E+00
   3.370p -1.0290E+04  0.0000E+00  7.9936E+03 -4.6038E+04  1.3446E+04  0.0000E+00  0.0000E+00  4.0587E+04  0.0000E+00
   4.929m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6437E+00

  rolling -9.0955E+03  3.0868E+02 -1.1558E+04  1.7579E+03 -1.3409E+04  0.0000E+00  7.0480E+01  2.2640E+01  0.0000E+00
 averages -1.0260E+04  0.0000E+00  7.8741E+03 -4.5717E+04  1.3406E+04  0.0000E+00  0.0000E+00  4.0185E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5886E+00
 ------------------------------------------------------------------------------------------------------------------------
     3380 -9.0955E+03  3.1104E+02 -1.1568E+04  1.8043E+03 -1.3468E+04  0.0000E+00  6.8552E+01  2.7268E+01  0.0000E+00
   3.380p -1.0143E+04  0.0000E+00  7.5834E+03 -4.6247E+04  1.3465E+04  0.0000E+00  0.0000E+00  4.0365E+04  0.0000E+00
   4.943m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4247E+00

  rolling -9.0955E+03  3.0897E+02 -1.1559E+04  1.7618E+03 -1.3415E+04  0.0000E+00  7.0945E+01  2.3703E+01  0.0000E+00
 averages -1.0258E+04  0.0000E+00  7.8775E+03 -4.5757E+04  1.3412E+04  0.0000E+00  0.0000E+00  4.0222E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5880E+00
 ------------------------------------------------------------------------------------------------------------------------
     3390 -9.0954E+03  3.0835E+02 -1.1546E+04  1.8206E+03 -1.3455E+04  0.0000E+00  6.5201E+01  2.3370E+01  0.0000E+00
   3.390p -9.9060E+03  0.0000E+00  6.8358E+03 -4.6444E+04  1.3450E+04  0.0000E+00  0.0000E+00  3.9830E+04  0.0000E+00
   4.957m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0703E+00

  rolling -9.0955E+03  3.0930E+02 -1.1560E+04  1.7689E+03 -1.3423E+04  0.0000E+00  7.0676E+01  2.3872E+01  0.0000E+00
 averages -1.0236E+04  0.0000E+00  7.8192E+03 -4.5837E+04  1.3420E+04  0.0000E+00  0.0000E+00  4.0236E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5563E+00
 ------------------------------------------------------------------------------------------------------------------------
     3400 -9.0953E+03  3.1042E+02 -1.1560E+04  1.8092E+03 -1.3466E+04  0.0000E+00  6.9786E+01  2.6594E+01  0.0000E+00
   3.400p -9.8603E+03  0.0000E+00  6.7347E+03 -4.6278E+04  1.3460E+04  0.0000E+00  0.0000E+00  3.9552E+04  0.0000E+00
   4.971m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0037E+00

  rolling -9.0955E+03  3.0944E+02 -1.1560E+04  1.7775E+03 -1.3432E+04  0.0000E+00  7.0544E+01  2.4297E+01  0.0000E+00
 averages -1.0195E+04  0.0000E+00  7.7035E+03 -4.5936E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0210E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4971E+00
 ------------------------------------------------------------------------------------------------------------------------
     3410 -9.0954E+03  3.0818E+02 -1.1542E+04  1.7683E+03 -1.3399E+04  0.0000E+00  6.5782E+01  2.2949E+01  0.0000E+00
   3.410p -1.0096E+04  0.0000E+00  7.4111E+03 -4.5745E+04  1.3395E+04  0.0000E+00  0.0000E+00  3.9761E+04  0.0000E+00
   4.985m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3602E+00

  rolling -9.0955E+03  3.0960E+02 -1.1560E+04  1.7834E+03 -1.3437E+04  0.0000E+00  6.9840E+01  2.4666E+01  0.0000E+00
 averages -1.0156E+04  0.0000E+00  7.5923E+03 -4.5999E+04  1.3434E+04  0.0000E+00  0.0000E+00  4.0157E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4402E+00
 ------------------------------------------------------------------------------------------------------------------------
     3420 -9.0955E+03  3.0862E+02 -1.1544E+04  1.7366E+03 -1.3383E+04  0.0000E+00  7.3960E+01  2.8267E+01  0.0000E+00
   3.420p -1.0306E+04  0.0000E+00  8.0513E+03 -4.5317E+04  1.3380E+04  0.0000E+00  0.0000E+00  3.9988E+04  0.0000E+00
   4.999m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6779E+00

  rolling -9.0954E+03  3.0978E+02 -1.1560E+04  1.7834E+03 -1.3438E+04  0.0000E+00  6.9966E+01  2.5201E+01  0.0000E+00
 averages -1.0150E+04  0.0000E+00  7.5805E+03 -4.5986E+04  1.3435E+04  0.0000E+00  0.0000E+00  4.0132E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4329E+00
 ------------------------------------------------------------------------------------------------------------------------
     3430 -9.0954E+03  3.0883E+02 -1.1544E+04  1.7373E+03 -1.3385E+04  0.0000E+00  7.7361E+01  2.5595E+01  0.0000E+00
   3.430p -1.0416E+04  0.0000E+00  8.3904E+03 -4.5304E+04  1.3381E+04  0.0000E+00  0.0000E+00  4.0313E+04  0.0000E+00
   5.013m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8464E+00

  rolling -9.0954E+03  3.0999E+02 -1.1560E+04  1.7807E+03 -1.3437E+04  0.0000E+00  7.1332E+01  2.5553E+01  0.0000E+00
 averages -1.0164E+04  0.0000E+00  7.6304E+03 -4.5937E+04  1.3434E+04  0.0000E+00  0.0000E+00  4.0134E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4563E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.0441E+02 -1.1509E+04  1.7362E+03 -1.3342E+04  0.0000E+00  6.9992E+01  2.6066E+01  0.0000E+00
   3.440p -1.0367E+04  0.0000E+00  8.1799E+03 -4.5285E+04  1.3340E+04  0.0000E+00  0.0000E+00  4.0126E+04  0.0000E+00
   5.027m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7747E+00

  rolling -9.0954E+03  3.0980E+02 -1.1557E+04  1.7766E+03 -1.3431E+04  0.0000E+00  7.2078E+01  2.5615E+01  0.0000E+00
 averages -1.0193E+04  0.0000E+00  7.7204E+03 -4.5871E+04  1.3428E+04  0.0000E+00  0.0000E+00  4.0164E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5029E+00
 ------------------------------------------------------------------------------------------------------------------------
     3450 -9.0954E+03  3.0800E+02 -1.1535E+04  1.7354E+03 -1.3365E+04  0.0000E+00  7.2060E+01  2.2510E+01  0.0000E+00
   3.450p -1.0300E+04  0.0000E+00  8.0378E+03 -4.5277E+04  1.3363E+04  0.0000E+00  0.0000E+00  3.9951E+04  0.0000E+00
   5.041m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6759E+00

  rolling -9.0954E+03  3.0932E+02 -1.1552E+04  1.7733E+03 -1.3422E+04  0.0000E+00  7.1538E+01  2.5606E+01  0.0000E+00
 averages -1.0205E+04  0.0000E+00  7.7508E+03 -4.5816E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0148E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5218E+00
 ------------------------------------------------------------------------------------------------------------------------
     3460 -9.0956E+03  3.1407E+02 -1.1580E+04  1.7257E+03 -1.3403E+04  0.0000E+00  7.2961E+01  2.4200E+01  0.0000E+00
   3.460p -1.0440E+04  0.0000E+00  8.5519E+03 -4.5152E+04  1.3400E+04  0.0000E+00  0.0000E+00  4.0303E+04  0.0000E+00
   5.055m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8874E+00

  rolling -9.0954E+03  3.0920E+02 -1.1550E+04  1.7685E+03 -1.3415E+04  0.0000E+00  7.1136E+01  2.5535E+01  0.0000E+00
 averages -1.0210E+04  0.0000E+00  7.7697E+03 -4.5743E+04  1.3411E+04  0.0000E+00  0.0000E+00  4.0102E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5322E+00
 ------------------------------------------------------------------------------------------------------------------------
     3470 -9.0954E+03  3.0646E+02 -1.1521E+04  1.7282E+03 -1.3337E+04  0.0000E+00  6.4453E+01  2.3906E+01  0.0000E+00
   3.470p -1.0318E+04  0.0000E+00  8.0771E+03 -4.5209E+04  1.3334E+04  0.0000E+00  0.0000E+00  3.9952E+04  0.0000E+00
   5.070m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7074E+00

  rolling -9.0955E+03  3.0905E+02 -1.1547E+04  1.7627E+03 -1.3406E+04  0.0000E+00  7.0253E+01  2.5310E+01  0.0000E+00
 averages -1.0213E+04  0.0000E+00  7.7805E+03 -4.5661E+04  1.3402E+04  0.0000E+00  0.0000E+00  4.0040E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5389E+00
 ------------------------------------------------------------------------------------------------------------------------
     3480 -9.0955E+03  3.0448E+02 -1.1504E+04  1.7360E+03 -1.3340E+04  0.0000E+00  7.5934E+01  2.4153E+01  0.0000E+00
   3.480p -1.0400E+04  0.0000E+00  8.2956E+03 -4.5300E+04  1.3337E+04  0.0000E+00  0.0000E+00  4.0259E+04  0.0000E+00
   5.084m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8322E+00

  rolling -9.0954E+03  3.0853E+02 -1.1542E+04  1.7564E+03 -1.3393E+04  0.0000E+00  7.0136E+01  2.4832E+01  0.0000E+00
 averages -1.0227E+04  0.0000E+00  7.8186E+03 -4.5573E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0002E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5619E+00
 ------------------------------------------------------------------------------------------------------------------------
     3490 -9.0955E+03  3.0441E+02 -1.1502E+04  1.7546E+03 -1.3345E+04  0.0000E+00  6.6254E+01  2.1878E+01  0.0000E+00
   3.490p -1.0240E+04  0.0000E+00  7.8191E+03 -4.5561E+04  1.3342E+04  0.0000E+00  0.0000E+00  4.0038E+04  0.0000E+00
   5.098m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5937E+00

  rolling -9.0954E+03  3.0797E+02 -1.1536E+04  1.7497E+03 -1.3381E+04  0.0000E+00  7.0603E+01  2.4732E+01  0.0000E+00
 averages -1.0258E+04  0.0000E+00  7.9077E+03 -4.5482E+04  1.3378E+04  0.0000E+00  0.0000E+00  4.0011E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6109E+00
 ------------------------------------------------------------------------------------------------------------------------
     3500 -9.0956E+03  3.0933E+02 -1.1538E+04  1.7578E+03 -1.3379E+04  0.0000E+00  6.3635E+01  1.9575E+01  0.0000E+00
   3.500p -1.0164E+04  0.0000E+00  7.6693E+03 -4.5617E+04  1.3377E+04  0.0000E+00  0.0000E+00  3.9909E+04  0.0000E+00
   5.112m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4809E+00

  rolling -9.0955E+03  3.0772E+02 -1.1533E+04  1.7440E+03 -1.3371E+04  0.0000E+00  7.0202E+01  2.4209E+01  0.0000E+00
 averages -1.0291E+04  0.0000E+00  8.0072E+03 -4.5407E+04  1.3368E+04  0.0000E+00  0.0000E+00  4.0046E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6627E+00
 ------------------------------------------------------------------------------------------------------------------------
     3510 -9.0956E+03  3.1090E+02 -1.1549E+04  1.7827E+03 -1.3410E+04  0.0000E+00  6.0219E+01  1.8569E+01  0.0000E+00
   3.510p -9.8790E+03  0.0000E+00  6.8433E+03 -4.5967E+04  1.3409E+04  0.0000E+00  0.0000E+00  3.9401E+04  0.0000E+00
   5.126m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0545E+00

  rolling -9.0955E+03  3.0765E+02 -1.1531E+04  1.7421E+03 -1.3367E+04  0.0000E+00  7.0409E+01  2.3702E+01  0.0000E+00
 averages -1.0294E+04  0.0000E+00  8.0186E+03 -4.5384E+04  1.3364E+04  0.0000E+00  0.0000E+00  4.0038E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6689E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0959E+03  3.1652E+02 -1.1591E+04  1.7986E+03 -1.3476E+04  0.0000E+00  6.8123E+01  1.8357E+01  0.0000E+00
   3.520p -1.0002E+04  0.0000E+00  7.3017E+03 -4.6160E+04  1.3476E+04  0.0000E+00  0.0000E+00  3.9986E+04  0.0000E+00
   5.140m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2415E+00

  rolling -9.0955E+03  3.0834E+02 -1.1535E+04  1.7467E+03 -1.3374E+04  0.0000E+00  6.9782E+01  2.2946E+01  0.0000E+00
 averages -1.0263E+04  0.0000E+00  7.9402E+03 -4.5449E+04  1.3372E+04  0.0000E+00  0.0000E+00  4.0017E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6244E+00
 ------------------------------------------------------------------------------------------------------------------------
     3530 -9.0957E+03  3.0950E+02 -1.1535E+04  1.8018E+03 -1.3431E+04  0.0000E+00  7.1456E+01  2.2743E+01  0.0000E+00
   3.530p -1.0038E+04  0.0000E+00  7.3073E+03 -4.6200E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0074E+04  0.0000E+00
   5.154m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2980E+00

  rolling -9.0955E+03  3.0865E+02 -1.1536E+04  1.7531E+03 -1.3381E+04  0.0000E+00  6.9559E+01  2.2299E+01  0.0000E+00
 averages -1.0230E+04  0.0000E+00  7.8483E+03 -4.5536E+04  1.3379E+04  0.0000E+00  0.0000E+00  4.0005E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5758E+00
 ------------------------------------------------------------------------------------------------------------------------
     3540 -9.0958E+03  3.1267E+02 -1.1558E+04  1.7659E+03 -1.3428E+04  0.0000E+00  8.2943E+01  2.0800E+01  0.0000E+00
   3.540p -1.0383E+04  0.0000E+00  8.3949E+03 -4.5725E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0690E+04  0.0000E+00
   5.168m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8193E+00

  rolling -9.0955E+03  3.0901E+02 -1.1537E+04  1.7579E+03 -1.3387E+04  0.0000E+00  7.0114E+01  2.1906E+01  0.0000E+00
 averages -1.0208E+04  0.0000E+00  7.7930E+03 -4.5605E+04  1.3385E+04  0.0000E+00  0.0000E+00  4.0012E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5454E+00
 ------------------------------------------------------------------------------------------------------------------------
     3550 -9.0958E+03  3.1355E+02 -1.1563E+04  1.7574E+03 -1.3417E+04  0.0000E+00  7.2588E+01  2.3984E+01  0.0000E+00
   3.550p -1.0322E+04  0.0000E+00  8.2283E+03 -4.5608E+04  1.3420E+04  0.0000E+00  0.0000E+00  4.0417E+04  0.0000E+00
   5.183m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7291E+00

  rolling -9.0956E+03  3.0998E+02 -1.1543E+04  1.7599E+03 -1.3396E+04  0.0000E+00  7.0925E+01  2.1726E+01  0.0000E+00
 averages -1.0221E+04  0.0000E+00  7.8516E+03 -4.5635E+04  1.3395E+04  0.0000E+00  0.0000E+00  4.0092E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5674E+00
 ------------------------------------------------------------------------------------------------------------------------
     3560 -9.0956E+03  3.1138E+02 -1.1545E+04  1.7770E+03 -1.3413E+04  0.0000E+00  7.2579E+01  1.7981E+01  0.0000E+00
   3.560p -1.0156E+04  0.0000E+00  7.7026E+03 -4.5857E+04  1.3414E+04  0.0000E+00  0.0000E+00  4.0146E+04  0.0000E+00
   5.197m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4819E+00

  rolling -9.0956E+03  3.0980E+02 -1.1540E+04  1.7638E+03 -1.3396E+04  0.0000E+00  7.0382E+01  2.1517E+01  0.0000E+00
 averages -1.0200E+04  0.0000E+00  7.7911E+03 -4.5690E+04  1.3395E+04  0.0000E+00  0.0000E+00  4.0086E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5384E+00
 ------------------------------------------------------------------------------------------------------------------------
     3570 -9.0956E+03  3.1531E+02 -1.1574E+04  1.8020E+03 -1.3470E+04  0.0000E+00  7.2228E+01  2.2368E+01  0.0000E+00
   3.570p -1.0029E+04  0.0000E+00  7.3863E+03 -4.6175E+04  1.3470E+04  0.0000E+00  0.0000E+00  4.0091E+04  0.0000E+00
   5.211m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2932E+00

  rolling -9.0956E+03  3.1036E+02 -1.1543E+04  1.7699E+03 -1.3405E+04  0.0000E+00  7.0816E+01  2.1048E+01  0.0000E+00
 averages -1.0177E+04  0.0000E+00  7.7343E+03 -4.5771E+04  1.3405E+04  0.0000E+00  0.0000E+00  4.0101E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5056E+00
 ------------------------------------------------------------------------------------------------------------------------
     3580 -9.0955E+03  3.0780E+02 -1.1515E+04  1.8130E+03 -1.3423E+04  0.0000E+00  7.1033E+01  2.4283E+01  0.0000E+00
   3.580p -9.9457E+03  0.0000E+00  7.0265E+03 -4.6294E+04  1.3424E+04  0.0000E+00  0.0000E+00  3.9896E+04  0.0000E+00
   5.225m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1701E+00

  rolling -9.0957E+03  3.1104E+02 -1.1547E+04  1.7779E+03 -1.3416E+04  0.0000E+00  6.9918E+01  2.1056E+01  0.0000E+00
 averages -1.0135E+04  0.0000E+00  7.6231E+03 -4.5876E+04  1.3416E+04  0.0000E+00  0.0000E+00  4.0083E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4446E+00
 ------------------------------------------------------------------------------------------------------------------------
     3590 -9.0957E+03  3.1406E+02 -1.1562E+04  1.7912E+03 -1.3453E+04  0.0000E+00  7.7867E+01  2.1830E+01  0.0000E+00
   3.590p -1.0267E+04  0.0000E+00  8.0895E+03 -4.5983E+04  1.3453E+04  0.0000E+00  0.0000E+00  4.0619E+04  0.0000E+00
   5.239m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6554E+00

  rolling -9.0957E+03  3.1171E+02 -1.1551E+04  1.7833E+03 -1.3425E+04  0.0000E+00  7.0011E+01  2.1032E+01  0.0000E+00
 averages -1.0116E+04  0.0000E+00  7.5804E+03 -4.5942E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0097E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4180E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.1092E+02 -1.1536E+04  1.7593E+03 -1.3396E+04  0.0000E+00  7.6807E+01  2.3381E+01  0.0000E+00
   3.600p -1.0417E+04  0.0000E+00  8.4952E+03 -4.5532E+04  1.3397E+04  0.0000E+00  0.0000E+00  4.0631E+04  0.0000E+00
   5.254m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8830E+00

  rolling -9.0957E+03  3.1250E+02 -1.1555E+04  1.7849E+03 -1.3432E+04  0.0000E+00  7.0762E+01  2.1209E+01  0.0000E+00
 averages -1.0134E+04  0.0000E+00  7.6495E+03 -4.5956E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0173E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4468E+00
 ------------------------------------------------------------------------------------------------------------------------
     3610 -9.0956E+03  3.0918E+02 -1.1522E+04  1.7322E+03 -1.3353E+04  0.0000E+00  7.5331E+01  2.3380E+01  0.0000E+00
   3.610p -1.0408E+04  0.0000E+00  8.4470E+03 -4.5154E+04  1.3353E+04  0.0000E+00  0.0000E+00  4.0248E+04  0.0000E+00
   5.268m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8722E+00

  rolling -9.0957E+03  3.1246E+02 -1.1554E+04  1.7822E+03 -1.3429E+04  0.0000E+00  7.1596E+01  2.1663E+01  0.0000E+00
 averages -1.0178E+04  0.0000E+00  7.7841E+03 -4.5906E+04  1.3430E+04  0.0000E+00  0.0000E+00  4.0261E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5145E+00
 ------------------------------------------------------------------------------------------------------------------------
     3620 -9.0957E+03  3.0929E+02 -1.1521E+04  1.7055E+03 -1.3313E+04  0.0000E+00  6.4695E+01  2.1660E+01  0.0000E+00
   3.620p -1.0363E+04  0.0000E+00  8.3172E+03 -4.4809E+04  1.3313E+04  0.0000E+00  0.0000E+00  3.9813E+04  0.0000E+00
   5.282m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8062E+00

  rolling -9.0957E+03  3.1203E+02 -1.1549E+04  1.7745E+03 -1.3418E+04  0.0000E+00  7.2164E+01  2.2072E+01  0.0000E+00
 averages -1.0223E+04  0.0000E+00  7.9168E+03 -4.5791E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0289E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5844E+00
 ------------------------------------------------------------------------------------------------------------------------
     3630 -9.0958E+03  3.1372E+02 -1.1554E+04  1.6848E+03 -1.3332E+04  0.0000E+00  7.2894E+01  2.0805E+01  0.0000E+00
   3.630p -1.0466E+04  0.0000E+00  8.6971E+03 -4.4534E+04  1.3333E+04  0.0000E+00  0.0000E+00  3.9898E+04  0.0000E+00
   5.296m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9629E+00

  rolling -9.0957E+03  3.1172E+02 -1.1545E+04  1.7637E+03 -1.3403E+04  0.0000E+00  7.2234E+01  2.2155E+01  0.0000E+00
 averages -1.0262E+04  0.0000E+00  8.0332E+03 -4.5637E+04  1.3404E+04  0.0000E+00  0.0000E+00  4.0266E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6451E+00
 ------------------------------------------------------------------------------------------------------------------------
     3640 -9.0958E+03  3.1523E+02 -1.1564E+04  1.6806E+03 -1.3329E+04  0.0000E+00  6.6730E+01  1.8119E+01  0.0000E+00
   3.640p -1.0448E+04  0.0000E+00  8.6699E+03 -4.4490E+04  1.3330E+04  0.0000E+00  0.0000E+00  3.9830E+04  0.0000E+00
   5.309m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9377E+00

  rolling -9.0957E+03  3.1229E+02 -1.1548E+04  1.7534E+03 -1.3395E+04  0.0000E+00  7.1780E+01  2.1889E+01  0.0000E+00
 averages -1.0286E+04  0.0000E+00  8.1206E+03 -4.5489E+04  1.3396E+04  0.0000E+00  0.0000E+00  4.0214E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6846E+00
 ------------------------------------------------------------------------------------------------------------------------
     3650 -9.0956E+03  3.1116E+02 -1.1532E+04  1.6717E+03 -1.3296E+04  0.0000E+00  7.3692E+01  1.8779E+01  0.0000E+00
   3.650p -1.0602E+04  0.0000E+00  9.0745E+03 -4.4379E+04  1.3296E+04  0.0000E+00  0.0000E+00  4.0157E+04  0.0000E+00
   5.324m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -2.1718E+00

  rolling -9.0957E+03  3.1200E+02 -1.1545E+04  1.7454E+03 -1.3383E+04  0.0000E+00  7.1155E+01  2.1505E+01  0.0000E+00
 averages -1.0297E+04  0.0000E+00  8.1513E+03 -4.5374E+04  1.3383E+04  0.0000E+00  0.0000E+00  4.0142E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7023E+00
 ------------------------------------------------------------------------------------------------------------------------
     3660 -9.0955E+03  3.1072E+02 -1.1527E+04  1.6680E+03 -1.3290E+04  0.0000E+00  7.7273E+01  1.7624E+01  0.0000E+00
   3.660p -1.0567E+04  0.0000E+00  8.9663E+03 -4.4365E+04  1.3289E+04  0.0000E+00  0.0000E+00  4.0042E+04  0.0000E+00
   5.338m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -2.1209E+00

  rolling -9.0957E+03  3.1196E+02 -1.1543E+04  1.7356E+03 -1.3372E+04  0.0000E+00  7.2219E+01  2.1197E+01  0.0000E+00
 averages -1.0337E+04  0.0000E+00  8.2745E+03 -4.5237E+04  1.3372E+04  0.0000E+00  0.0000E+00  4.0139E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7643E+00
 ------------------------------------------------------------------------------------------------------------------------
     3670 -9.0956E+03  3.1085E+02 -1.1526E+04  1.6653E+03 -1.3283E+04  0.0000E+00  7.1762E+01  1.9731E+01  0.0000E+00
   3.670p -1.0540E+04  0.0000E+00  8.8919E+03 -4.4339E+04  1.3284E+04  0.0000E+00  0.0000E+00  3.9947E+04  0.0000E+00
   5.353m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -2.0826E+00

  rolling -9.0957E+03  3.1149E+02 -1.1538E+04  1.7232E+03 -1.3355E+04  0.0000E+00  7.2671E+01  2.1151E+01  0.0000E+00
 averages -1.0379E+04  0.0000E+00  8.4000E+03 -4.5069E+04  1.3355E+04  0.0000E+00  0.0000E+00  4.0113E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8309E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.1255E+02 -1.1538E+04  1.6886E+03 -1.3315E+04  0.0000E+00  7.2050E+01  1.6693E+01  0.0000E+00
   3.680p -1.0320E+04  0.0000E+00  8.2603E+03 -4.4686E+04  1.3316E+04  0.0000E+00  0.0000E+00  3.9631E+04  0.0000E+00
   5.367m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7527E+00

  rolling -9.0956E+03  3.1148E+02 -1.1537E+04  1.7097E+03 -1.3340E+04  0.0000E+00  7.3368E+01  2.0542E+01  0.0000E+00
 averages -1.0427E+04  0.0000E+00  8.5473E+03 -4.4891E+04  1.3341E+04  0.0000E+00  0.0000E+00  4.0097E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9049E+00
 ------------------------------------------------------------------------------------------------------------------------
     3690 -9.0955E+03  3.1692E+02 -1.1570E+04  1.7158E+03 -1.3384E+04  0.0000E+00  7.9063E+01  1.8810E+01  0.0000E+00
   3.690p -1.0341E+04  0.0000E+00  8.3962E+03 -4.5070E+04  1.3383E+04  0.0000E+00  0.0000E+00  4.0083E+04  0.0000E+00
   5.381m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7874E+00

  rolling -9.0956E+03  3.1198E+02 -1.1539E+04  1.6999E+03 -1.3332E+04  0.0000E+00  7.3225E+01  2.0008E+01  0.0000E+00
 averages -1.0446E+04  0.0000E+00  8.6155E+03 -4.4768E+04  1.3333E+04  0.0000E+00  0.0000E+00  4.0050E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9353E+00
 ------------------------------------------------------------------------------------------------------------------------
     3700 -9.0954E+03  3.1528E+02 -1.1556E+04  1.7503E+03 -1.3401E+04  0.0000E+00  7.6466E+01  1.7987E+01  0.0000E+00
   3.700p -1.0244E+04  0.0000E+00  8.0820E+03 -4.5549E+04  1.3400E+04  0.0000E+00  0.0000E+00  4.0231E+04  0.0000E+00
   5.395m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6424E+00

  rolling -9.0956E+03  3.1218E+02 -1.1539E+04  1.6958E+03 -1.3329E+04  0.0000E+00  7.3917E+01  1.9656E+01  0.0000E+00
 averages -1.0441E+04  0.0000E+00  8.6064E+03 -4.4724E+04  1.3329E+04  0.0000E+00  0.0000E+00  4.0001E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9292E+00
 ------------------------------------------------------------------------------------------------------------------------
     3710 -9.0956E+03  3.2028E+02 -1.1593E+04  1.7736E+03 -1.3461E+04  0.0000E+00  7.2565E+01  2.1107E+01  0.0000E+00
   3.710p -1.0345E+04  0.0000E+00  8.4664E+03 -4.5880E+04  1.3461E+04  0.0000E+00  0.0000E+00  4.0886E+04  0.0000E+00
   5.409m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7970E+00

  rolling -9.0956E+03  3.1298E+02 -1.1544E+04  1.6983E+03 -1.3335E+04  0.0000E+00  7.3455E+01  1.9174E+01  0.0000E+00
 averages -1.0423E+04  0.0000E+00  8.5682E+03 -4.4773E+04  1.3335E+04  0.0000E+00  0.0000E+00  4.0006E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9039E+00
 ------------------------------------------------------------------------------------------------------------------------
     3720 -9.0956E+03  3.1852E+02 -1.1579E+04  1.7881E+03 -1.3468E+04  0.0000E+00  7.6630E+01  2.4187E+01  0.0000E+00
   3.720p -1.0305E+04  0.0000E+00  8.3212E+03 -4.6098E+04  1.3468E+04  0.0000E+00  0.0000E+00  4.0951E+04  0.0000E+00
   5.424m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7376E+00

  rolling -9.0956E+03  3.1407E+02 -1.1551E+04  1.7045E+03 -1.3349E+04  0.0000E+00  7.3854E+01  1.9315E+01  0.0000E+00
 averages -1.0424E+04  0.0000E+00  8.5924E+03 -4.4875E+04  1.3349E+04  0.0000E+00  0.0000E+00  4.0118E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9076E+00
 ------------------------------------------------------------------------------------------------------------------------
     3730 -9.0955E+03  3.1360E+02 -1.1540E+04  1.8021E+03 -1.3431E+04  0.0000E+00  6.9009E+01  1.9699E+01  0.0000E+00
   3.730p -1.0089E+04  0.0000E+00  7.6038E+03 -4.6309E+04  1.3431E+04  0.0000E+00  0.0000E+00  4.0482E+04  0.0000E+00
   5.438m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4153E+00

  rolling -9.0956E+03  3.1471E+02 -1.1555E+04  1.7150E+03 -1.3362E+04  0.0000E+00  7.3301E+01  1.9291E+01  0.0000E+00
 averages -1.0401E+04  0.0000E+00  8.5364E+03 -4.5035E+04  1.3362E+04  0.0000E+00  0.0000E+00  4.0209E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8747E+00
 ------------------------------------------------------------------------------------------------------------------------
     3740 -9.0956E+03  3.1104E+02 -1.1520E+04  1.8135E+03 -1.3422E+04  0.0000E+00  6.7495E+01  2.0854E+01  0.0000E+00
   3.740p -9.9248E+03  0.0000E+00  7.0737E+03 -4.6482E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0135E+04  0.0000E+00
   5.452m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1690E+00

  rolling -9.0956E+03  3.1435E+02 -1.1551E+04  1.7275E+03 -1.3370E+04  0.0000E+00  7.2711E+01  1.9399E+01  0.0000E+00
 averages -1.0356E+04  0.0000E+00  8.4003E+03 -4.5223E+04  1.3370E+04  0.0000E+00  0.0000E+00  4.0252E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.8092E+00
 ------------------------------------------------------------------------------------------------------------------------
     3750 -9.0955E+03  3.1003E+02 -1.1511E+04  1.8056E+03 -1.3404E+04  0.0000E+00  6.5943E+01  2.1453E+01  0.0000E+00
   3.750p -9.9422E+03  0.0000E+00  7.1138E+03 -4.6400E+04  1.3402E+04  0.0000E+00  0.0000E+00  4.0111E+04  0.0000E+00
   5.466m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1969E+00

  rolling -9.0956E+03  3.1415E+02 -1.1548E+04  1.7413E+03 -1.3381E+04  0.0000E+00  7.2148E+01  1.9633E+01  0.0000E+00
 averages -1.0292E+04  0.0000E+00  8.2101E+03 -4.5430E+04  1.3381E+04  0.0000E+00  0.0000E+00  4.0260E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7153E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.1329E+02 -1.1535E+04  1.7755E+03 -1.3402E+04  0.0000E+00  6.6481E+01  2.5454E+01  0.0000E+00
   3.760p -1.0083E+04  0.0000E+00  7.5897E+03 -4.6021E+04  1.3401E+04  0.0000E+00  0.0000E+00  4.0210E+04  0.0000E+00
   5.480m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4107E+00

  rolling -9.0956E+03  3.1416E+02 -1.1547E+04  1.7530E+03 -1.3392E+04  0.0000E+00  7.1504E+01  2.0226E+01  0.0000E+00
 averages -1.0237E+04  0.0000E+00  8.0481E+03 -4.5609E+04  1.3391E+04  0.0000E+00  0.0000E+00  4.0266E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6339E+00
 ------------------------------------------------------------------------------------------------------------------------
     3770 -9.0956E+03  3.1582E+02 -1.1553E+04  1.7715E+03 -1.3411E+04  0.0000E+00  6.2979E+01  2.3338E+01  0.0000E+00
   3.770p -1.0164E+04  0.0000E+00  7.8737E+03 -4.5957E+04  1.3410E+04  0.0000E+00  0.0000E+00  4.0421E+04  0.0000E+00
   5.494m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5338E+00

  rolling -9.0956E+03  3.1461E+02 -1.1549E+04  1.7639E+03 -1.3404E+04  0.0000E+00  7.0467E+01  2.0793E+01  0.0000E+00
 averages -1.0191E+04  0.0000E+00  7.9201E+03 -4.5776E+04  1.3404E+04  0.0000E+00  0.0000E+00  4.0292E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5663E+00
 ------------------------------------------------------------------------------------------------------------------------
     3780 -9.0955E+03  3.1267E+02 -1.1528E+04  1.7831E+03 -1.3406E+04  0.0000E+00  7.3634E+01  2.1251E+01  0.0000E+00
   3.780p -1.0222E+04  0.0000E+00  8.0031E+03 -4.6090E+04  1.3406E+04  0.0000E+00  0.0000E+00  4.0687E+04  0.0000E+00
   5.508m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6228E+00

  rolling -9.0955E+03  3.1476E+02 -1.1549E+04  1.7737E+03 -1.3415E+04  0.0000E+00  7.0824E+01  2.1224E+01  0.0000E+00
 averages -1.0172E+04  0.0000E+00  7.8685E+03 -4.5923E+04  1.3414E+04  0.0000E+00  0.0000E+00  4.0377E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5393E+00
 ------------------------------------------------------------------------------------------------------------------------
     3790 -9.0956E+03  3.1196E+02 -1.1522E+04  1.8226E+03 -1.3422E+04  0.0000E+00  6.0898E+01  1.7019E+01  0.0000E+00
   3.790p -9.8880E+03  0.0000E+00  6.9928E+03 -4.6615E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0187E+04  0.0000E+00
   5.523m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1214E+00

  rolling -9.0955E+03  3.1448E+02 -1.1546E+04  1.7840E+03 -1.3422E+04  0.0000E+00  7.0405E+01  2.1346E+01  0.0000E+00
 averages -1.0142E+04  0.0000E+00  7.7773E+03 -4.6074E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0431E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4957E+00
 ------------------------------------------------------------------------------------------------------------------------
     3800 -9.0957E+03  3.0497E+02 -1.1467E+04  1.8134E+03 -1.3375E+04  0.0000E+00  7.2806E+01  2.1914E+01  0.0000E+00
   3.800p -9.8234E+03  0.0000E+00  6.6947E+03 -4.6482E+04  1.3376E+04  0.0000E+00  0.0000E+00  3.9801E+04  0.0000E+00
   5.537m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0254E+00

  rolling -9.0955E+03  3.1360E+02 -1.1538E+04  1.7927E+03 -1.3422E+04  0.0000E+00  6.9512E+01  2.1404E+01  0.0000E+00
 averages -1.0095E+04  0.0000E+00  7.6277E+03 -4.6201E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0407E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4274E+00
 ------------------------------------------------------------------------------------------------------------------------
     3810 -9.0955E+03  3.0187E+02 -1.1443E+04  1.8072E+03 -1.3343E+04  0.0000E+00  7.1906E+01  2.1377E+01  0.0000E+00
   3.810p -9.6597E+03  0.0000E+00  6.1597E+03 -4.6427E+04  1.3345E+04  0.0000E+00  0.0000E+00  3.9242E+04  0.0000E+00
   5.551m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.8071E-01

  rolling -9.0956E+03  3.1209E+02 -1.1526E+04  1.7970E+03 -1.3414E+04  0.0000E+00  6.9690E+01  2.1751E+01  0.0000E+00
 averages -1.0040E+04  0.0000E+00  7.4416E+03 -4.6267E+04  1.3414E+04  0.0000E+00  0.0000E+00  4.0295E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3455E+00
 ------------------------------------------------------------------------------------------------------------------------
     3820 -9.0957E+03  3.1006E+02 -1.1504E+04  1.7868E+03 -1.3386E+04  0.0000E+00  7.5354E+01  1.9200E+01  0.0000E+00
   3.820p -1.0032E+04  0.0000E+00  7.4044E+03 -4.6136E+04  1.3388E+04  0.0000E+00  0.0000E+00  4.0152E+04  0.0000E+00
   5.565m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3424E+00

  rolling -9.0956E+03  3.1071E+02 -1.1514E+04  1.7985E+03 -1.3403E+04  0.0000E+00  6.9137E+01  2.1390E+01  0.0000E+00
 averages -9.9892E+03  0.0000E+00  7.2713E+03 -4.6295E+04  1.3403E+04  0.0000E+00  0.0000E+00  4.0164E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2707E+00
 ------------------------------------------------------------------------------------------------------------------------
     3830 -9.0956E+03  3.0923E+02 -1.1497E+04  1.7823E+03 -1.3364E+04  0.0000E+00  6.6285E+01  1.9009E+01  0.0000E+00
   3.830p -9.9560E+03  0.0000E+00  7.1671E+03 -4.6080E+04  1.3367E+04  0.0000E+00  0.0000E+00  3.9881E+04  0.0000E+00
   5.579m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2297E+00

  rolling -9.0956E+03  3.1024E+02 -1.1509E+04  1.7971E+03 -1.3397E+04  0.0000E+00  6.9053E+01  2.1109E+01  0.0000E+00
 averages -9.9735E+03  0.0000E+00  7.2201E+03 -4.6280E+04  1.3397E+04  0.0000E+00  0.0000E+00  4.0103E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2486E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.1087E+02 -1.1508E+04  1.7601E+03 -1.3368E+04  0.0000E+00  7.9977E+01  1.9150E+01  0.0000E+00
   3.840p -1.0222E+04  0.0000E+00  7.9931E+03 -4.5760E+04  1.3370E+04  0.0000E+00  0.0000E+00  4.0383E+04  0.0000E+00
   5.593m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6315E+00

  rolling -9.0956E+03  3.0993E+02 -1.1506E+04  1.7936E+03 -1.3390E+04  0.0000E+00  6.9284E+01  2.1037E+01  0.0000E+00
 averages -9.9788E+03  0.0000E+00  7.2343E+03 -4.6235E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0079E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2581E+00
 ------------------------------------------------------------------------------------------------------------------------
     3850 -9.0957E+03  3.1310E+02 -1.1524E+04  1.7692E+03 -1.3387E+04  0.0000E+00  7.1127E+01  2.2567E+01  0.0000E+00
   3.850p -1.0055E+04  0.0000E+00  7.5277E+03 -4.5891E+04  1.3389E+04  0.0000E+00  0.0000E+00  4.0030E+04  0.0000E+00
   5.608m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3810E+00

  rolling -9.0956E+03  3.1029E+02 -1.1508E+04  1.7882E+03 -1.3387E+04  0.0000E+00  7.0136E+01  2.0924E+01  0.0000E+00
 averages -1.0011E+04  0.0000E+00  7.3386E+03 -4.6161E+04  1.3388E+04  0.0000E+00  0.0000E+00  4.0112E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3076E+00
 ------------------------------------------------------------------------------------------------------------------------
     3860 -9.0955E+03  3.1273E+02 -1.1520E+04  1.7864E+03 -1.3403E+04  0.0000E+00  7.0887E+01  2.5781E+01  0.0000E+00
   3.860p -9.9672E+03  0.0000E+00  7.2636E+03 -4.6090E+04  1.3403E+04  0.0000E+00  0.0000E+00  3.9951E+04  0.0000E+00
   5.622m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2513E+00

  rolling -9.0956E+03  3.1044E+02 -1.1508E+04  1.7876E+03 -1.3386E+04  0.0000E+00  6.9662E+01  2.1121E+01  0.0000E+00
 averages -1.0001E+04  0.0000E+00  7.3151E+03 -4.6147E+04  1.3387E+04  0.0000E+00  0.0000E+00  4.0075E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2947E+00
 ------------------------------------------------------------------------------------------------------------------------
     3870 -9.0955E+03  3.1608E+02 -1.1545E+04  1.8073E+03 -1.3441E+04  0.0000E+00  6.9890E+01  1.8757E+01  0.0000E+00
   3.870p -9.9587E+03  0.0000E+00  7.2922E+03 -4.6369E+04  1.3439E+04  0.0000E+00  0.0000E+00  4.0222E+04  0.0000E+00
   5.636m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2401E+00

  rolling -9.0956E+03  3.1039E+02 -1.1507E+04  1.7898E+03 -1.3388E+04  0.0000E+00  7.0600E+01  2.0810E+01  0.0000E+00
 averages -9.9925E+03  0.0000E+00  7.2915E+03 -4.6169E+04  1.3389E+04  0.0000E+00  0.0000E+00  4.0072E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2832E+00
 ------------------------------------------------------------------------------------------------------------------------
     3880 -9.0954E+03  3.1260E+02 -1.1517E+04  1.8260E+03 -1.3429E+04  0.0000E+00  7.0011E+01  1.5465E+01  0.0000E+00
   3.880p -9.8717E+03  0.0000E+00  6.9813E+03 -4.6604E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0158E+04  0.0000E+00
   5.650m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1107E+00

  rolling -9.0956E+03  3.1054E+02 -1.1507E+04  1.7942E+03 -1.3391E+04  0.0000E+00  7.0005E+01  2.0280E+01  0.0000E+00
 averages -9.9571E+03  0.0000E+00  7.1905E+03 -4.6223E+04  1.3392E+04  0.0000E+00  0.0000E+00  4.0022E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2314E+00
 ------------------------------------------------------------------------------------------------------------------------
     3890 -9.0956E+03  3.1740E+02 -1.1553E+04  1.8601E+03 -1.3499E+04  0.0000E+00  7.0392E+01  1.5471E+01  0.0000E+00
   3.890p -9.8287E+03  0.0000E+00  6.9277E+03 -4.7031E+04  1.3497E+04  0.0000E+00  0.0000E+00  4.0462E+04  0.0000E+00
   5.664m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0471E+00

  rolling -9.0956E+03  3.1068E+02 -1.1507E+04  1.7977E+03 -1.3395E+04  0.0000E+00  7.0627E+01  1.9859E+01  0.0000E+00
 averages -9.9448E+03  0.0000E+00  7.1588E+03 -4.6261E+04  1.3395E+04  0.0000E+00  0.0000E+00  4.0025E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2145E+00
 ------------------------------------------------------------------------------------------------------------------------
     3900 -9.0956E+03  3.1388E+02 -1.1525E+04  1.8865E+03 -1.3498E+04  0.0000E+00  6.8328E+01  1.7972E+01  0.0000E+00
   3.900p -9.6311E+03  0.0000E+00  6.2842E+03 -4.7383E+04  1.3498E+04  0.0000E+00  0.0000E+00  4.0169E+04  0.0000E+00
   5.678m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.5121E-01

  rolling -9.0956E+03  3.1157E+02 -1.1513E+04  1.8035E+03 -1.3406E+04  0.0000E+00  7.0669E+01  1.9669E+01  0.0000E+00
 averages -9.9290E+03  0.0000E+00  7.1280E+03 -4.6332E+04  1.3407E+04  0.0000E+00  0.0000E+00  4.0053E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1922E+00
 ------------------------------------------------------------------------------------------------------------------------
     3910 -9.0957E+03  3.1424E+02 -1.1527E+04  1.8701E+03 -1.3486E+04  0.0000E+00  7.2605E+01  1.6351E+01  0.0000E+00
   3.910p -9.7747E+03  0.0000E+00  6.7229E+03 -4.7156E+04  1.3484E+04  0.0000E+00  0.0000E+00  4.0395E+04  0.0000E+00
   5.692m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6857E-01

  rolling -9.0956E+03  3.1255E+02 -1.1519E+04  1.8104E+03 -1.3420E+04  0.0000E+00  7.1057E+01  1.9131E+01  0.0000E+00
 averages -9.9292E+03  0.0000E+00  7.1464E+03 -4.6413E+04  1.3420E+04  0.0000E+00  0.0000E+00  4.0140E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1939E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.1315E+02 -1.1518E+04  1.8444E+03 -1.3454E+04  0.0000E+00  7.5030E+01  1.6411E+01  0.0000E+00
   3.920p -9.7779E+03  0.0000E+00  6.7188E+03 -4.6825E+04  1.3452E+04  0.0000E+00  0.0000E+00  4.0092E+04  0.0000E+00
   5.706m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.7485E-01

  rolling -9.0956E+03  3.1324E+02 -1.1523E+04  1.8167E+03 -1.3431E+04  0.0000E+00  7.1916E+01  1.8807E+01  0.0000E+00
 averages -9.9160E+03  0.0000E+00  7.1202E+03 -4.6489E+04  1.3431E+04  0.0000E+00  0.0000E+00  4.0179E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1756E+00
 ------------------------------------------------------------------------------------------------------------------------
     3930 -9.0955E+03  3.1637E+02 -1.1542E+04  1.8084E+03 -1.3449E+04  0.0000E+00  7.9930E+01  1.9450E+01  0.0000E+00
   3.930p -1.0074E+04  0.0000E+00  7.6573E+03 -4.6341E+04  1.3447E+04  0.0000E+00  0.0000E+00  4.0551E+04  0.0000E+00
   5.720m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4210E+00

  rolling -9.0955E+03  3.1349E+02 -1.1524E+04  1.8209E+03 -1.3437E+04  0.0000E+00  7.3134E+01  1.8682E+01  0.0000E+00
 averages -9.9080E+03  0.0000E+00  7.1032E+03 -4.6536E+04  1.3436E+04  0.0000E+00  0.0000E+00  4.0203E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1650E+00
 ------------------------------------------------------------------------------------------------------------------------
     3940 -9.0953E+03  3.1382E+02 -1.1521E+04  1.7916E+03 -1.3406E+04  0.0000E+00  7.4721E+01  1.8518E+01  0.0000E+00
   3.940p -1.0122E+04  0.0000E+00  7.7660E+03 -4.6129E+04  1.3403E+04  0.0000E+00  0.0000E+00  4.0492E+04  0.0000E+00
   5.735m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4950E+00

  rolling -9.0955E+03  3.1426E+02 -1.1529E+04  1.8236E+03 -1.3445E+04  0.0000E+00  7.3136E+01  1.8700E+01  0.0000E+00
 averages -9.9135E+03  0.0000E+00  7.1343E+03 -4.6565E+04  1.3443E+04  0.0000E+00  0.0000E+00  4.0256E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1748E+00
 ------------------------------------------------------------------------------------------------------------------------
     3950 -9.0955E+03  3.1244E+02 -1.1510E+04  1.7722E+03 -1.3382E+04  0.0000E+00  7.7800E+01  2.2006E+01  0.0000E+00
   3.950p -1.0239E+04  0.0000E+00  8.1002E+03 -4.5864E+04  1.3380E+04  0.0000E+00  0.0000E+00  4.0584E+04  0.0000E+00
   5.749m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6733E+00

  rolling -9.0955E+03  3.1420E+02 -1.1528E+04  1.8255E+03 -1.3445E+04  0.0000E+00  7.2858E+01  1.8661E+01  0.0000E+00
 averages -9.9129E+03  0.0000E+00  7.1345E+03 -4.6585E+04  1.3443E+04  0.0000E+00  0.0000E+00  4.0276E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1753E+00
 ------------------------------------------------------------------------------------------------------------------------
     3960 -9.0956E+03  3.0980E+02 -1.1489E+04  1.7806E+03 -1.3362E+04  0.0000E+00  7.1644E+01  2.0212E+01  0.0000E+00
   3.960p -1.0075E+04  0.0000E+00  7.5687E+03 -4.5971E+04  1.3360E+04  0.0000E+00  0.0000E+00  4.0179E+04  0.0000E+00
   5.763m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4269E+00

  rolling -9.0955E+03  3.1415E+02 -1.1526E+04  1.8250E+03 -1.3443E+04  0.0000E+00  7.3572E+01  1.8305E+01  0.0000E+00
 averages -9.9345E+03  0.0000E+00  7.2011E+03 -4.6573E+04  1.3442E+04  0.0000E+00  0.0000E+00  4.0332E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2091E+00
 ------------------------------------------------------------------------------------------------------------------------
     3970 -9.0956E+03  3.0335E+02 -1.1439E+04  1.7892E+03 -1.3315E+04  0.0000E+00  6.6750E+01  1.9630E+01  0.0000E+00
   3.970p -9.9246E+03  0.0000E+00  7.0213E+03 -4.6087E+04  1.3314E+04  0.0000E+00  0.0000E+00  3.9795E+04  0.0000E+00
   5.777m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2016E+00

  rolling -9.0955E+03  3.1320E+02 -1.1518E+04  1.8243E+03 -1.3434E+04  0.0000E+00  7.3272E+01  1.8041E+01  0.0000E+00
 averages -9.9321E+03  0.0000E+00  7.1820E+03 -4.6559E+04  1.3432E+04  0.0000E+00  0.0000E+00  4.0309E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2068E+00
 ------------------------------------------------------------------------------------------------------------------------
     3980 -9.0955E+03  3.0359E+02 -1.1440E+04  1.7984E+03 -1.3315E+04  0.0000E+00  5.8840E+01  1.7620E+01  0.0000E+00
   3.980p -9.7562E+03  0.0000E+00  6.5222E+03 -4.6209E+04  1.3314E+04  0.0000E+00  0.0000E+00  3.9417E+04  0.0000E+00
   5.791m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.4934E-01

  rolling -9.0955E+03  3.1198E+02 -1.1508E+04  1.8219E+03 -1.3421E+04  0.0000E+00  7.3083E+01  1.8302E+01  0.0000E+00
 averages -9.9243E+03  0.0000E+00  7.1425E+03 -4.6523E+04  1.3420E+04  0.0000E+00  0.0000E+00  4.0246E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1964E+00
 ------------------------------------------------------------------------------------------------------------------------
     3990 -9.0957E+03  3.1320E+02 -1.1513E+04  1.7944E+03 -1.3390E+04  0.0000E+00  6.4193E+01  1.8867E+01  0.0000E+00
   3.990p -9.9546E+03  0.0000E+00  7.2661E+03 -4.6144E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0020E+04  0.0000E+00
   5.805m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2490E+00

  rolling -9.0955E+03  3.1136E+02 -1.1503E+04  1.8174E+03 -1.3411E+04  0.0000E+00  7.1996E+01  1.8552E+01  0.0000E+00
 averages -9.9205E+03  0.0000E+00  7.1244E+03 -4.6462E+04  1.3409E+04  0.0000E+00  0.0000E+00  4.0177E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1920E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.1501E+02 -1.1526E+04  1.7980E+03 -1.3401E+04  0.0000E+00  5.9457E+01  1.8186E+01  0.0000E+00
   4.000p -9.9898E+03  0.0000E+00  7.4016E+03 -4.6190E+04  1.3402E+04  0.0000E+00  0.0000E+00  4.0190E+04  0.0000E+00
   5.820m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3032E+00

  rolling -9.0955E+03  3.1131E+02 -1.1501E+04  1.8092E+03 -1.3400E+04  0.0000E+00  7.1083E+01  1.8782E+01  0.0000E+00
 averages -9.9510E+03  0.0000E+00  7.2174E+03 -4.6351E+04  1.3399E+04  0.0000E+00  0.0000E+00  4.0169E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2390E+00
 ------------------------------------------------------------------------------------------------------------------------
     4010 -9.0956E+03  3.0839E+02 -1.1474E+04  1.7946E+03 -1.3352E+04  0.0000E+00  6.5686E+01  1.7760E+01  0.0000E+00
   4.010p -9.9820E+03  0.0000E+00  7.2801E+03 -4.6121E+04  1.3354E+04  0.0000E+00  0.0000E+00  4.0047E+04  0.0000E+00
   5.836m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2928E+00

  rolling -9.0955E+03  3.1114E+02 -1.1499E+04  1.8010E+03 -1.3389E+04  0.0000E+00  6.9831E+01  1.8773E+01  0.0000E+00
 averages -9.9780E+03  0.0000E+00  7.2981E+03 -4.6240E+04  1.3388E+04  0.0000E+00  0.0000E+00  4.0151E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2808E+00
 ------------------------------------------------------------------------------------------------------------------------
     4020 -9.0956E+03  3.1219E+02 -1.1503E+04  1.7804E+03 -1.3363E+04  0.0000E+00  6.3839E+01  1.6460E+01  0.0000E+00
   4.020p -9.9555E+03  0.0000E+00  7.2608E+03 -4.5923E+04  1.3364E+04  0.0000E+00  0.0000E+00  3.9820E+04  0.0000E+00
   5.850m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2541E+00

  rolling -9.0955E+03  3.1082E+02 -1.1496E+04  1.7939E+03 -1.3377E+04  0.0000E+00  6.8439E+01  1.8895E+01  0.0000E+00
 averages -1.0001E+04  0.0000E+00  7.3657E+03 -4.6141E+04  1.3376E+04  0.0000E+00  0.0000E+00  4.0130E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3172E+00
 ------------------------------------------------------------------------------------------------------------------------
     4030 -9.0958E+03  3.1648E+02 -1.1535E+04  1.7558E+03 -1.3367E+04  0.0000E+00  6.2048E+01  1.4163E+01  0.0000E+00
   4.030p -1.0090E+04  0.0000E+00  7.7324E+03 -4.5573E+04  1.3367E+04  0.0000E+00  0.0000E+00  3.9939E+04  0.0000E+00
   5.864m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4578E+00

  rolling -9.0956E+03  3.1087E+02 -1.1496E+04  1.7882E+03 -1.3369E+04  0.0000E+00  6.6895E+01  1.8587E+01  0.0000E+00
 averages -1.0007E+04  0.0000E+00  7.3857E+03 -4.6060E+04  1.3369E+04  0.0000E+00  0.0000E+00  4.0077E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3268E+00
 ------------------------------------------------------------------------------------------------------------------------
     4040 -9.0955E+03  3.1112E+02 -1.1493E+04  1.7360E+03 -1.3315E+04  0.0000E+00  7.1100E+01  1.5247E+01  0.0000E+00
   4.040p -1.0190E+04  0.0000E+00  7.9542E+03 -4.5294E+04  1.3315E+04  0.0000E+00  0.0000E+00  3.9934E+04  0.0000E+00
   5.878m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6101E+00

  rolling -9.0956E+03  3.1052E+02 -1.1492E+04  1.7828E+03 -1.3360E+04  0.0000E+00  6.6937E+01  1.8178E+01  0.0000E+00
 averages -1.0009E+04  0.0000E+00  7.3897E+03 -4.5979E+04  1.3360E+04  0.0000E+00  0.0000E+00  4.0009E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3315E+00
 ------------------------------------------------------------------------------------------------------------------------
     4050 -9.0955E+03  3.1440E+02 -1.1517E+04  1.7206E+03 -1.3332E+04  0.0000E+00  7.6313E+01  1.7830E+01  0.0000E+00
   4.050p -1.0418E+04  0.0000E+00  8.6887E+03 -4.5083E+04  1.3330E+04  0.0000E+00  0.0000E+00  4.0442E+04  0.0000E+00
   5.892m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.9534E+00

  rolling -9.0956E+03  3.1045E+02 -1.1491E+04  1.7776E+03 -1.3354E+04  0.0000E+00  6.7269E+01  1.7843E+01  0.0000E+00
 averages -1.0019E+04  0.0000E+00  7.4194E+03 -4.5900E+04  1.3353E+04  0.0000E+00  0.0000E+00  3.9966E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3470E+00
 ------------------------------------------------------------------------------------------------------------------------
     4060 -9.0955E+03  3.1713E+02 -1.1537E+04  1.7134E+03 -1.3342E+04  0.0000E+00  7.5484E+01  1.6157E+01  0.0000E+00
   4.060p -1.0536E+04  0.0000E+00  9.0869E+03 -4.4995E+04  1.3340E+04  0.0000E+00  0.0000E+00  4.0741E+04  0.0000E+00
   5.906m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -2.1323E+00

  rolling -9.0956E+03  3.1084E+02 -1.1493E+04  1.7715E+03 -1.3350E+04  0.0000E+00  6.7679E+01  1.7401E+01  0.0000E+00
 averages -1.0053E+04  0.0000E+00  7.5317E+03 -4.5811E+04  1.3349E+04  0.0000E+00  0.0000E+00  3.9993E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4003E+00
 ------------------------------------------------------------------------------------------------------------------------
     4070 -9.0953E+03  3.1278E+02 -1.1503E+04  1.7314E+03 -1.3322E+04  0.0000E+00  7.2235E+01  1.4989E+01  0.0000E+00
   4.070p -1.0287E+04  0.0000E+00  8.2767E+03 -4.5254E+04  1.3319E+04  0.0000E+00  0.0000E+00  4.0211E+04  0.0000E+00
   5.921m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7592E+00

  rolling -9.0956E+03  3.1192E+02 -1.1500E+04  1.7647E+03 -1.3350E+04  0.0000E+00  6.7619E+01  1.6952E+01  0.0000E+00
 averages -1.0097E+04  0.0000E+00  7.6828E+03 -4.5714E+04  1.3349E+04  0.0000E+00  0.0000E+00  4.0047E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4678E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0953E+03  3.1000E+02 -1.1481E+04  1.7739E+03 -1.3346E+04  0.0000E+00  7.3758E+01  1.7187E+01  0.0000E+00
   4.080p -9.9674E+03  0.0000E+00  7.2775E+03 -4.5832E+04  1.3344E+04  0.0000E+00  0.0000E+00  3.9765E+04  0.0000E+00
   5.935m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2792E+00

  rolling -9.0955E+03  3.1282E+02 -1.1507E+04  1.7605E+03 -1.3351E+04  0.0000E+00  6.7758E+01  1.6622E+01  0.0000E+00
 averages -1.0131E+04  0.0000E+00  7.7998E+03 -4.5651E+04  1.3351E+04  0.0000E+00  0.0000E+00  4.0100E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5197E+00
 ------------------------------------------------------------------------------------------------------------------------
     4090 -9.0954E+03  3.1139E+02 -1.1491E+04  1.8166E+03 -1.3390E+04  0.0000E+00  6.3052E+01  1.8814E+01  0.0000E+00
   4.090p -9.7047E+03  0.0000E+00  6.5122E+03 -4.6418E+04  1.3387E+04  0.0000E+00  0.0000E+00  3.9543E+04  0.0000E+00
   5.949m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.8467E-01

  rolling -9.0955E+03  3.1321E+02 -1.1509E+04  1.7606E+03 -1.3354E+04  0.0000E+00  6.7891E+01  1.6686E+01  0.0000E+00
 averages -1.0128E+04  0.0000E+00  7.7972E+03 -4.5650E+04  1.3353E+04  0.0000E+00  0.0000E+00  4.0094E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5154E+00
 ------------------------------------------------------------------------------------------------------------------------
     4100 -9.0954E+03  3.0906E+02 -1.1473E+04  1.8144E+03 -1.3368E+04  0.0000E+00  6.1101E+01  1.9299E+01  0.0000E+00
   4.100p -9.7871E+03  0.0000E+00  6.7257E+03 -4.6405E+04  1.3366E+04  0.0000E+00  0.0000E+00  3.9764E+04  0.0000E+00
   5.963m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0096E+00

  rolling -9.0955E+03  3.1261E+02 -1.1503E+04  1.7629E+03 -1.3351E+04  0.0000E+00  6.7604E+01  1.6676E+01  0.0000E+00
 averages -1.0100E+04  0.0000E+00  7.7081E+03 -4.5679E+04  1.3350E+04  0.0000E+00  0.0000E+00  4.0037E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4752E+00
 ------------------------------------------------------------------------------------------------------------------------
     4110 -9.0956E+03  3.1364E+02 -1.1507E+04  1.8005E+03 -1.3390E+04  0.0000E+00  5.9003E+01  2.3100E+01  0.0000E+00
   4.110p -9.9555E+03  0.0000E+00  7.3020E+03 -4.6229E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0141E+04  0.0000E+00
   5.977m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2637E+00

  rolling -9.0955E+03  3.1264E+02 -1.1503E+04  1.7638E+03 -1.3351E+04  0.0000E+00  6.7515E+01  1.7035E+01  0.0000E+00
 averages -1.0090E+04  0.0000E+00  7.6808E+03 -4.5693E+04  1.3350E+04  0.0000E+00  0.0000E+00  4.0023E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4613E+00
 ------------------------------------------------------------------------------------------------------------------------
     4120 -9.0956E+03  3.1181E+02 -1.1493E+04  1.8040E+03 -1.3390E+04  0.0000E+00  7.2433E+01  2.0961E+01  0.0000E+00
   4.120p -1.0036E+04  0.0000E+00  7.5188E+03 -4.6283E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0412E+04  0.0000E+00
   5.991m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3865E+00

  rolling -9.0955E+03  3.1295E+02 -1.1505E+04  1.7654E+03 -1.3355E+04  0.0000E+00  6.7803E+01  1.7585E+01  0.0000E+00
 averages -1.0092E+04  0.0000E+00  7.6930E+03 -4.5718E+04  1.3354E+04  0.0000E+00  0.0000E+00  4.0056E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4651E+00
 ------------------------------------------------------------------------------------------------------------------------
     4130 -9.0954E+03  3.0976E+02 -1.1476E+04  1.8000E+03 -1.3371E+04  0.0000E+00  7.5045E+01  2.0110E+01  0.0000E+00
   4.130p -9.9805E+03  0.0000E+00  7.3222E+03 -4.6244E+04  1.3370E+04  0.0000E+00  0.0000E+00  4.0196E+04  0.0000E+00
   6.005m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3035E+00

  rolling -9.0955E+03  3.1244E+02 -1.1500E+04  1.7689E+03 -1.3356E+04  0.0000E+00  6.8918E+01  1.8067E+01  0.0000E+00
 averages -1.0093E+04  0.0000E+00  7.6913E+03 -4.5770E+04  1.3355E+04  0.0000E+00  0.0000E+00  4.0107E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4681E+00
 ------------------------------------------------------------------------------------------------------------------------
     4140 -9.0955E+03  3.1272E+02 -1.1498E+04  1.7795E+03 -1.3366E+04  0.0000E+00  6.9714E+01  1.8388E+01  0.0000E+00
   4.140p -1.0037E+04  0.0000E+00  7.5382E+03 -4.5990E+04  1.3365E+04  0.0000E+00  0.0000E+00  4.0163E+04  0.0000E+00
   6.019m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3892E+00

  rolling -9.0955E+03  3.1235E+02 -1.1499E+04  1.7734E+03 -1.3360E+04  0.0000E+00  6.8959E+01  1.8581E+01  0.0000E+00
 averages -1.0080E+04  0.0000E+00  7.6518E+03 -4.5840E+04  1.3358E+04  0.0000E+00  0.0000E+00  4.0134E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4491E+00
 ------------------------------------------------------------------------------------------------------------------------
     4150 -9.0956E+03  3.1530E+02 -1.1517E+04  1.7728E+03 -1.3379E+04  0.0000E+00  6.8884E+01  1.9952E+01  0.0000E+00
   4.150p -1.0009E+04  0.0000E+00  7.4940E+03 -4.5910E+04  1.3380E+04  0.0000E+00  0.0000E+00  4.0025E+04  0.0000E+00
   6.033m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3473E+00

  rolling -9.0955E+03  3.1248E+02 -1.1499E+04  1.7778E+03 -1.3364E+04  0.0000E+00  6.8702E+01  1.8684E+01  0.0000E+00
 averages -1.0055E+04  0.0000E+00  7.5816E+03 -4.5912E+04  1.3363E+04  0.0000E+00  0.0000E+00  4.0131E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4128E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.1747E+02 -1.1534E+04  1.7866E+03 -1.3407E+04  0.0000E+00  6.4201E+01  2.3053E+01  0.0000E+00
   4.160p -1.0017E+04  0.0000E+00  7.5537E+03 -4.6083E+04  1.3408E+04  0.0000E+00  0.0000E+00  4.0228E+04  0.0000E+00
   6.047m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3606E+00

  rolling -9.0955E+03  3.1247E+02 -1.1498E+04  1.7844E+03 -1.3370E+04  0.0000E+00  6.7595E+01  1.9274E+01  0.0000E+00
 averages -1.0001E+04  0.0000E+00  7.4208E+03 -4.6013E+04  1.3369E+04  0.0000E+00  0.0000E+00  4.0065E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3322E+00
 ------------------------------------------------------------------------------------------------------------------------
     4170 -9.0956E+03  3.1770E+02 -1.1535E+04  1.8077E+03 -1.3438E+04  0.0000E+00  7.4034E+01  2.1767E+01  0.0000E+00
   4.170p -1.0018E+04  0.0000E+00  7.5633E+03 -4.6361E+04  1.3438E+04  0.0000E+00  0.0000E+00  4.0487E+04  0.0000E+00
   6.061m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3637E+00

  rolling -9.0955E+03  3.1269E+02 -1.1499E+04  1.7920E+03 -1.3379E+04  0.0000E+00  6.7996E+01  1.9891E+01  0.0000E+00
 averages -9.9641E+03  0.0000E+00  7.3154E+03 -4.6124E+04  1.3378E+04  0.0000E+00  0.0000E+00  4.0061E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2777E+00
 ------------------------------------------------------------------------------------------------------------------------
     4180 -9.0954E+03  3.1527E+02 -1.1515E+04  1.8327E+03 -1.3445E+04  0.0000E+00  6.9337E+01  2.7100E+01  0.0000E+00
   4.180p -9.8767E+03  0.0000E+00  7.1033E+03 -4.6688E+04  1.3444E+04  0.0000E+00  0.0000E+00  4.0347E+04  0.0000E+00
   6.075m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1515E+00

  rolling -9.0955E+03  3.1313E+02 -1.1502E+04  1.7990E+03 -1.3390E+04  0.0000E+00  6.8146E+01  2.0855E+01  0.0000E+00
 averages -9.9419E+03  0.0000E+00  7.2574E+03 -4.6225E+04  1.3390E+04  0.0000E+00  0.0000E+00  4.0093E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2452E+00
 ------------------------------------------------------------------------------------------------------------------------
     4190 -9.0956E+03  3.2041E+02 -1.1554E+04  1.8307E+03 -1.3473E+04  0.0000E+00  6.8312E+01  1.9836E+01  0.0000E+00
   4.190p -9.9819E+03  0.0000E+00  7.4984E+03 -4.6676E+04  1.3472E+04  0.0000E+00  0.0000E+00  4.0702E+04  0.0000E+00
   6.089m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3104E+00

  rolling -9.0955E+03  3.1381E+02 -1.1507E+04  1.8025E+03 -1.3399E+04  0.0000E+00  6.8650E+01  2.1348E+01  0.0000E+00
 averages -9.9561E+03  0.0000E+00  7.3123E+03 -4.6279E+04  1.3399E+04  0.0000E+00  0.0000E+00  4.0193E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2675E+00
 ------------------------------------------------------------------------------------------------------------------------
     4200 -9.0956E+03  3.1823E+02 -1.1537E+04  1.8239E+03 -1.3448E+04  0.0000E+00  6.6736E+01  2.0436E+01  0.0000E+00
   4.200p -9.8248E+03  0.0000E+00  6.9947E+03 -4.6608E+04  1.3449E+04  0.0000E+00  0.0000E+00  4.0153E+04  0.0000E+00
   6.103m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0744E+00

  rolling -9.0955E+03  3.1471E+02 -1.1513E+04  1.8035E+03 -1.3407E+04  0.0000E+00  6.9441E+01  2.1389E+01  0.0000E+00
 averages -9.9707E+03  0.0000E+00  7.3715E+03 -4.6299E+04  1.3407E+04  0.0000E+00  0.0000E+00  4.0263E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2903E+00
 ------------------------------------------------------------------------------------------------------------------------
     4210 -9.0955E+03  3.1572E+02 -1.1518E+04  1.8131E+03 -1.3427E+04  0.0000E+00  7.7263E+01  1.9009E+01  0.0000E+00
   4.210p -9.8836E+03  0.0000E+00  7.1342E+03 -4.6451E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0158E+04  0.0000E+00
   6.117m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1635E+00

  rolling -9.0955E+03  3.1538E+02 -1.1518E+04  1.8044E+03 -1.3414E+04  0.0000E+00  7.0262E+01  2.1301E+01  0.0000E+00
 averages -9.9710E+03  0.0000E+00  7.3842E+03 -4.6318E+04  1.3413E+04  0.0000E+00  0.0000E+00  4.0289E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2916E+00
 ------------------------------------------------------------------------------------------------------------------------
     4220 -9.0955E+03  3.1747E+02 -1.1531E+04  1.8295E+03 -1.3450E+04  0.0000E+00  7.3521E+01  1.6345E+01  0.0000E+00
   4.220p -9.7616E+03  0.0000E+00  6.7959E+03 -4.6688E+04  1.3449E+04  0.0000E+00  0.0000E+00  4.0035E+04  0.0000E+00
   6.131m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.8049E-01

  rolling -9.0955E+03  3.1570E+02 -1.1519E+04  1.8062E+03 -1.3417E+04  0.0000E+00  7.0474E+01  2.0692E+01  0.0000E+00
 averages -9.9537E+03  0.0000E+00  7.3386E+03 -4.6347E+04  1.3416E+04  0.0000E+00  0.0000E+00  4.0270E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2663E+00
 ------------------------------------------------------------------------------------------------------------------------
     4230 -9.0956E+03  3.1821E+02 -1.1536E+04  1.8457E+03 -1.3480E+04  0.0000E+00  7.7028E+01  2.1298E+01  0.0000E+00
   4.230p -9.8602E+03  0.0000E+00  7.1035E+03 -4.6894E+04  1.3479E+04  0.0000E+00  0.0000E+00  4.0518E+04  0.0000E+00
   6.145m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1291E+00

  rolling -9.0956E+03  3.1672E+02 -1.1527E+04  1.8097E+03 -1.3427E+04  0.0000E+00  7.0056E+01  2.0626E+01  0.0000E+00
 averages -9.9358E+03  0.0000E+00  7.3020E+03 -4.6400E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0275E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2401E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0957E+03  3.1963E+02 -1.1547E+04  1.8550E+03 -1.3491E+04  0.0000E+00  6.7950E+01  2.1465E+01  0.0000E+00
   4.240p -9.8324E+03  0.0000E+00  7.0420E+03 -4.7043E+04  1.3492E+04  0.0000E+00  0.0000E+00  4.0594E+04  0.0000E+00
   6.159m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0874E+00

  rolling -9.0956E+03  3.1725E+02 -1.1530E+04  1.8161E+03 -1.3437E+04  0.0000E+00  7.0046E+01  2.0748E+01  0.0000E+00
 averages -9.9188E+03  0.0000E+00  7.2602E+03 -4.6489E+04  1.3437E+04  0.0000E+00  0.0000E+00  4.0312E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2151E+00
 ------------------------------------------------------------------------------------------------------------------------
     4250 -9.0958E+03  3.1954E+02 -1.1546E+04  1.8478E+03 -1.3491E+04  0.0000E+00  7.0304E+01  2.6181E+01  0.0000E+00
   4.250p -9.9110E+03  0.0000E+00  7.2764E+03 -4.6936E+04  1.3492E+04  0.0000E+00  0.0000E+00  4.0720E+04  0.0000E+00
   6.173m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2057E+00

  rolling -9.0956E+03  3.1798E+02 -1.1536E+04  1.8239E+03 -1.3451E+04  0.0000E+00  7.0213E+01  2.1455E+01  0.0000E+00
 averages -9.9019E+03  0.0000E+00  7.2217E+03 -4.6596E+04  1.3451E+04  0.0000E+00  0.0000E+00  4.0367E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1901E+00
 ------------------------------------------------------------------------------------------------------------------------
     4260 -9.0956E+03  3.1109E+02 -1.1482E+04  1.8649E+03 -1.3430E+04  0.0000E+00  6.7282E+01  1.5719E+01  0.0000E+00
   4.260p -9.6776E+03  0.0000E+00  6.4482E+03 -4.7168E+04  1.3428E+04  0.0000E+00  0.0000E+00  4.0188E+04  0.0000E+00
   6.187m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.5486E-01

  rolling -9.0956E+03  3.1769E+02 -1.1533E+04  1.8315E+03 -1.3457E+04  0.0000E+00  7.1006E+01  2.1235E+01  0.0000E+00
 averages -9.8831E+03  0.0000E+00  7.1619E+03 -4.6701E+04  1.3457E+04  0.0000E+00  0.0000E+00  4.0406E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1624E+00
 ------------------------------------------------------------------------------------------------------------------------
     4270 -9.0955E+03  3.0755E+02 -1.1454E+04  1.8656E+03 -1.3419E+04  0.0000E+00  8.1474E+01  1.7802E+01  0.0000E+00
   4.270p -9.5988E+03  0.0000E+00  6.1585E+03 -4.7191E+04  1.3419E+04  0.0000E+00  0.0000E+00  3.9931E+04  0.0000E+00
   6.201m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.3661E-01

  rolling -9.0956E+03  3.1676E+02 -1.1526E+04  1.8386E+03 -1.3456E+04  0.0000E+00  7.1379E+01  2.0724E+01  0.0000E+00
 averages -9.8379E+03  0.0000E+00  7.0131E+03 -4.6801E+04  1.3456E+04  0.0000E+00  0.0000E+00  4.0358E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0948E+00
 ------------------------------------------------------------------------------------------------------------------------
     4280 -9.0958E+03  3.2003E+02 -1.1550E+04  1.8525E+03 -1.3484E+04  0.0000E+00  6.6399E+01  1.4843E+01  0.0000E+00
   4.280p -9.9281E+03  0.0000E+00  7.3360E+03 -4.7021E+04  1.3484E+04  0.0000E+00  0.0000E+00  4.0873E+04  0.0000E+00
   6.215m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2318E+00

  rolling -9.0956E+03  3.1643E+02 -1.1523E+04  1.8423E+03 -1.3457E+04  0.0000E+00  7.2122E+01  1.9818E+01  0.0000E+00
 averages -9.8238E+03  0.0000E+00  6.9666E+03 -4.6856E+04  1.3457E+04  0.0000E+00  0.0000E+00  4.0365E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0741E+00
 ------------------------------------------------------------------------------------------------------------------------
     4290 -9.0956E+03  3.1771E+02 -1.1532E+04  1.8496E+03 -1.3474E+04  0.0000E+00  7.2077E+01  2.0182E+01  0.0000E+00
   4.290p -9.9080E+03  0.0000E+00  7.2411E+03 -4.6987E+04  1.3474E+04  0.0000E+00  0.0000E+00  4.0753E+04  0.0000E+00
   6.229m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2019E+00

  rolling -9.0956E+03  3.1663E+02 -1.1524E+04  1.8440E+03 -1.3460E+04  0.0000E+00  7.2271E+01  1.9253E+01  0.0000E+00
 averages -9.8218E+03  0.0000E+00  6.9641E+03 -4.6886E+04  1.3460E+04  0.0000E+00  0.0000E+00  4.0391E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0713E+00
 ------------------------------------------------------------------------------------------------------------------------
     4300 -9.0954E+03  3.1307E+02 -1.1496E+04  1.8447E+03 -1.3434E+04  0.0000E+00  7.4481E+01  1.9004E+01  0.0000E+00
   4.300p -9.9030E+03  0.0000E+00  7.1558E+03 -4.6911E+04  1.3432E+04  0.0000E+00  0.0000E+00  4.0635E+04  0.0000E+00
   6.243m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1947E+00

  rolling -9.0956E+03  3.1614E+02 -1.1520E+04  1.8460E+03 -1.3459E+04  0.0000E+00  7.2878E+01  1.9309E+01  0.0000E+00
 averages -9.8238E+03  0.0000E+00  6.9632E+03 -4.6916E+04  1.3458E+04  0.0000E+00  0.0000E+00  4.0421E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0746E+00
 ------------------------------------------------------------------------------------------------------------------------
     4310 -9.0955E+03  3.1258E+02 -1.1493E+04  1.8258E+03 -1.3408E+04  0.0000E+00  7.0122E+01  1.9037E+01  0.0000E+00
   4.310p -9.7797E+03  0.0000E+00  6.7780E+03 -4.6674E+04  1.3406E+04  0.0000E+00  0.0000E+00  4.0045E+04  0.0000E+00
   6.257m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0089E+00

  rolling -9.0956E+03  3.1580E+02 -1.1518E+04  1.8480E+03 -1.3457E+04  0.0000E+00  7.2480E+01  1.9177E+01  0.0000E+00
 averages -9.8210E+03  0.0000E+00  6.9500E+03 -4.6947E+04  1.3457E+04  0.0000E+00  0.0000E+00  4.0440E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0705E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0955E+03  3.1195E+02 -1.1488E+04  1.7949E+03 -1.3374E+04  0.0000E+00  7.2525E+01  1.8917E+01  0.0000E+00
   4.320p -9.7699E+03  0.0000E+00  6.7389E+03 -4.6269E+04  1.3374E+04  0.0000E+00  0.0000E+00  3.9633E+04  0.0000E+00
   6.271m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.9408E-01

  rolling -9.0956E+03  3.1524E+02 -1.1513E+04  1.8469E+03 -1.3452E+04  0.0000E+00  7.2807E+01  1.9401E+01  0.0000E+00
 averages -9.8137E+03  0.0000E+00  6.9198E+03 -4.6937E+04  1.3452E+04  0.0000E+00  0.0000E+00  4.0405E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0597E+00
 ------------------------------------------------------------------------------------------------------------------------
     4330 -9.0956E+03  3.1797E+02 -1.1534E+04  1.7736E+03 -1.3392E+04  0.0000E+00  7.0142E+01  1.4344E+01  0.0000E+00
   4.330p -9.9376E+03  0.0000E+00  7.3333E+03 -4.5983E+04  1.3392E+04  0.0000E+00  0.0000E+00  3.9924E+04  0.0000E+00
   6.285m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2462E+00

  rolling -9.0956E+03  3.1483E+02 -1.1510E+04  1.8414E+03 -1.3443E+04  0.0000E+00  7.2502E+01  1.9184E+01  0.0000E+00
 averages -9.8152E+03  0.0000E+00  6.9184E+03 -4.6868E+04  1.3443E+04  0.0000E+00  0.0000E+00  4.0344E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0621E+00
 ------------------------------------------------------------------------------------------------------------------------
     4340 -9.0956E+03  3.2126E+02 -1.1559E+04  1.7778E+03 -1.3422E+04  0.0000E+00  6.9360E+01  1.5881E+01  0.0000E+00
   4.340p -1.0046E+04  0.0000E+00  7.7078E+03 -4.6050E+04  1.3422E+04  0.0000E+00  0.0000E+00  4.0335E+04  0.0000E+00
   6.299m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4089E+00

  rolling -9.0956E+03  3.1508E+02 -1.1512E+04  1.8333E+03 -1.3436E+04  0.0000E+00  7.2406E+01  1.8492E+01  0.0000E+00
 averages -9.8323E+03  0.0000E+00  6.9736E+03 -4.6765E+04  1.3436E+04  0.0000E+00  0.0000E+00  4.0303E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0879E+00
 ------------------------------------------------------------------------------------------------------------------------
     4350 -9.0956E+03  3.1939E+02 -1.1545E+04  1.8067E+03 -1.3445E+04  0.0000E+00  7.5773E+01  1.7481E+01  0.0000E+00
   4.350p -9.9714E+03  0.0000E+00  7.4555E+03 -4.6419E+04  1.3444E+04  0.0000E+00  0.0000E+00  4.0430E+04  0.0000E+00
   6.314m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2967E+00

  rolling -9.0955E+03  3.1503E+02 -1.1511E+04  1.8278E+03 -1.3429E+04  0.0000E+00  7.2388E+01  1.7764E+01  0.0000E+00
 averages -9.8470E+03  0.0000E+00  7.0168E+03 -4.6694E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0282E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1100E+00
 ------------------------------------------------------------------------------------------------------------------------
     4360 -9.0954E+03  3.1653E+02 -1.1523E+04  1.8342E+03 -1.3453E+04  0.0000E+00  7.7646E+01  1.8305E+01  0.0000E+00
   4.360p -9.7847E+03  0.0000E+00  6.8516E+03 -4.6782E+04  1.3452E+04  0.0000E+00  0.0000E+00  4.0182E+04  0.0000E+00
   6.328m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0156E+00

  rolling -9.0955E+03  3.1539E+02 -1.1514E+04  1.8241E+03 -1.3429E+04  0.0000E+00  7.3178E+01  1.7375E+01  0.0000E+00
 averages -9.8554E+03  0.0000E+00  7.0477E+03 -4.6648E+04  1.3428E+04  0.0000E+00  0.0000E+00  4.0268E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1227E+00
 ------------------------------------------------------------------------------------------------------------------------
     4370 -9.0954E+03  3.1852E+02 -1.1539E+04  1.8585E+03 -1.3490E+04  0.0000E+00  7.5934E+01  1.7010E+01  0.0000E+00
   4.370p -9.7217E+03  0.0000E+00  6.6922E+03 -4.7115E+04  1.3488E+04  0.0000E+00  0.0000E+00  4.0319E+04  0.0000E+00
   6.342m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.2043E-01

  rolling -9.0955E+03  3.1628E+02 -1.1521E+04  1.8222E+03 -1.3434E+04  0.0000E+00  7.3094E+01  1.7657E+01  0.0000E+00
 averages -9.8694E+03  0.0000E+00  7.1029E+03 -4.6625E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0295E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1436E+00
 ------------------------------------------------------------------------------------------------------------------------
     4380 -9.0953E+03  3.1761E+02 -1.1532E+04  1.8705E+03 -1.3501E+04  0.0000E+00  8.1847E+01  1.6064E+01  0.0000E+00
   4.380p -9.5908E+03  0.0000E+00  6.2848E+03 -4.7286E+04  1.3498E+04  0.0000E+00  0.0000E+00  4.0073E+04  0.0000E+00
   6.356m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.2303E-01

  rolling -9.0955E+03  3.1691E+02 -1.1526E+04  1.8228E+03 -1.3440E+04  0.0000E+00  7.3248E+01  1.7477E+01  0.0000E+00
 averages -9.8606E+03  0.0000E+00  7.0858E+03 -4.6635E+04  1.3439E+04  0.0000E+00  0.0000E+00  4.0283E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1302E+00
 ------------------------------------------------------------------------------------------------------------------------
     4390 -9.0952E+03  3.1730E+02 -1.1530E+04  1.8791E+03 -1.3497E+04  0.0000E+00  6.7350E+01  2.0015E+01  0.0000E+00
   4.390p -9.5719E+03  0.0000E+00  6.2225E+03 -4.7413E+04  1.3492E+04  0.0000E+00  0.0000E+00  4.0143E+04  0.0000E+00
   6.370m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.9412E-01

  rolling -9.0955E+03  3.1658E+02 -1.1524E+04  1.8253E+03 -1.3440E+04  0.0000E+00  7.3074E+01  1.7696E+01  0.0000E+00
 averages -9.8211E+03  0.0000E+00  6.9620E+03 -4.6671E+04  1.3438E+04  0.0000E+00  0.0000E+00  4.0194E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0706E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0954E+03  3.2044E+02 -1.1555E+04  1.8550E+03 -1.3494E+04  0.0000E+00  6.8867E+01  1.5763E+01  0.0000E+00
   4.400p -9.7986E+03  0.0000E+00  6.9485E+03 -4.7111E+04  1.3490E+04  0.0000E+00  0.0000E+00  4.0569E+04  0.0000E+00
   6.384m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0343E+00

  rolling -9.0955E+03  3.1718E+02 -1.1528E+04  1.8271E+03 -1.3445E+04  0.0000E+00  7.2579E+01  1.7370E+01  0.0000E+00
 averages -9.8041E+03  0.0000E+00  6.9196E+03 -4.6700E+04  1.3444E+04  0.0000E+00  0.0000E+00  4.0176E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0447E+00
 ------------------------------------------------------------------------------------------------------------------------
     4410 -9.0953E+03  3.2075E+02 -1.1557E+04  1.8301E+03 -1.3474E+04  0.0000E+00  6.8516E+01  1.8259E+01  0.0000E+00
   4.410p -9.8071E+03  0.0000E+00  6.9776E+03 -4.6802E+04  1.3470E+04  0.0000E+00  0.0000E+00  4.0309E+04  0.0000E+00
   6.398m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0465E+00

  rolling -9.0955E+03  3.1769E+02 -1.1532E+04  1.8277E+03 -1.3450E+04  0.0000E+00  7.2717E+01  1.7226E+01  0.0000E+00
 averages -9.7965E+03  0.0000E+00  6.9041E+03 -4.6715E+04  1.3448E+04  0.0000E+00  0.0000E+00  4.0171E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0331E+00
 ------------------------------------------------------------------------------------------------------------------------
     4420 -9.0954E+03  3.2336E+02 -1.1578E+04  1.8285E+03 -1.3496E+04  0.0000E+00  7.2178E+01  1.7467E+01  0.0000E+00
   4.420p -9.9575E+03  0.0000E+00  7.4668E+03 -4.6773E+04  1.3491E+04  0.0000E+00  0.0000E+00  4.0749E+04  0.0000E+00
   6.412m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2720E+00

  rolling -9.0954E+03  3.1895E+02 -1.1542E+04  1.8296E+03 -1.3462E+04  0.0000E+00  7.2659E+01  1.7090E+01  0.0000E+00
 averages -9.8122E+03  0.0000E+00  6.9696E+03 -4.6746E+04  1.3459E+04  0.0000E+00  0.0000E+00  4.0256E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0562E+00
 ------------------------------------------------------------------------------------------------------------------------
     4430 -9.0952E+03  3.1128E+02 -1.1486E+04  1.8362E+03 -1.3406E+04  0.0000E+00  6.3855E+01  1.9585E+01  0.0000E+00
   4.430p -9.7058E+03  0.0000E+00  6.5260E+03 -4.6902E+04  1.3402E+04  0.0000E+00  0.0000E+00  4.0026E+04  0.0000E+00
   6.427m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.9245E-01

  rolling -9.0954E+03  3.1904E+02 -1.1543E+04  1.8347E+03 -1.3468E+04  0.0000E+00  7.2538E+01  1.7268E+01  0.0000E+00
 averages -9.8087E+03  0.0000E+00  6.9595E+03 -4.6821E+04  1.3465E+04  0.0000E+00  0.0000E+00  4.0316E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0505E+00
 ------------------------------------------------------------------------------------------------------------------------
     4440 -9.0953E+03  3.1159E+02 -1.1489E+04  1.8483E+03 -1.3423E+04  0.0000E+00  6.4995E+01  2.0372E+01  0.0000E+00
   4.440p -9.6851E+03  0.0000E+00  6.4666E+03 -4.7047E+04  1.3419E+04  0.0000E+00  0.0000E+00  4.0094E+04  0.0000E+00
   6.441m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.6021E-01

  rolling -9.0954E+03  3.1806E+02 -1.1536E+04  1.8416E+03 -1.3468E+04  0.0000E+00  7.1936E+01  1.7858E+01  0.0000E+00
 averages -9.7755E+03  0.0000E+00  6.8437E+03 -4.6921E+04  1.3465E+04  0.0000E+00  0.0000E+00  4.0300E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.9991E-01
 ------------------------------------------------------------------------------------------------------------------------
     4450 -9.0954E+03  3.1535E+02 -1.1519E+04  1.8612E+03 -1.3457E+04  0.0000E+00  6.3267E+01  1.3729E+01  0.0000E+00
   4.450p -9.6654E+03  0.0000E+00  6.4625E+03 -4.7223E+04  1.3453E+04  0.0000E+00  0.0000E+00  4.0233E+04  0.0000E+00
   6.455m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.2946E-01

  rolling -9.0954E+03  3.1739E+02 -1.1532E+04  1.8481E+03 -1.3469E+04  0.0000E+00  7.1276E+01  1.7831E+01  0.0000E+00
 averages -9.7405E+03  0.0000E+00  6.7272E+03 -4.7014E+04  1.3465E+04  0.0000E+00  0.0000E+00  4.0276E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.4661E-01
 ------------------------------------------------------------------------------------------------------------------------
     4460 -9.0953E+03  3.1281E+02 -1.1500E+04  1.8319E+03 -1.3429E+04  0.0000E+00  8.0987E+01  1.6419E+01  0.0000E+00
   4.460p -9.7591E+03  0.0000E+00  6.7032E+03 -4.6843E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0122E+04  0.0000E+00
   6.469m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6964E-01

  rolling -9.0954E+03  3.1705E+02 -1.1529E+04  1.8507E+03 -1.3468E+04  0.0000E+00  7.0640E+01  1.7516E+01  0.0000E+00
 averages -9.7227E+03  0.0000E+00  6.6671E+03 -4.7058E+04  1.3465E+04  0.0000E+00  0.0000E+00  4.0260E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.1907E-01
 ------------------------------------------------------------------------------------------------------------------------
     4470 -9.0956E+03  3.1883E+02 -1.1547E+04  1.8079E+03 -1.3436E+04  0.0000E+00  6.5538E+01  1.6131E+01  0.0000E+00
   4.470p -9.9710E+03  0.0000E+00  7.4278E+03 -4.6528E+04  1.3434E+04  0.0000E+00  0.0000E+00  4.0522E+04  0.0000E+00
   6.483m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2871E+00

  rolling -9.0954E+03  3.1686E+02 -1.1528E+04  1.8475E+03 -1.3464E+04  0.0000E+00  7.0607E+01  1.7434E+01  0.0000E+00
 averages -9.7363E+03  0.0000E+00  6.7036E+03 -4.7024E+04  1.3460E+04  0.0000E+00  0.0000E+00  4.0268E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.3887E-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

 ------------------------------------------------------------------------------------------------------------------------
     4480 -9.0953E+03  3.1182E+02 -1.1494E+04  1.7916E+03 -1.3379E+04  0.0000E+00  7.7213E+01  1.6028E+01  0.0000E+00
   4.480p -9.9923E+03  0.0000E+00  7.3835E+03 -4.6306E+04  1.3376E+04  0.0000E+00  0.0000E+00  4.0313E+04  0.0000E+00
   6.497m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3184E+00

  rolling -9.0953E+03  3.1649E+02 -1.1526E+04  1.8410E+03 -1.3455E+04  0.0000E+00  7.0049E+01  1.7401E+01  0.0000E+00
 averages -9.7678E+03  0.0000E+00  6.7909E+03 -4.6946E+04  1.3451E+04  0.0000E+00  0.0000E+00  4.0286E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.8543E-01
 ------------------------------------------------------------------------------------------------------------------------
     4490 -9.0956E+03  3.1936E+02 -1.1552E+04  1.7835E+03 -1.3422E+04  0.0000E+00  6.9689E+01  1.6804E+01  0.0000E+00
   4.490p -9.9665E+03  0.0000E+00  7.4177E+03 -4.6212E+04  1.3422E+04  0.0000E+00  0.0000E+00  4.0208E+04  0.0000E+00
   6.511m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2780E+00

  rolling -9.0954E+03  3.1621E+02 -1.1525E+04  1.8321E+03 -1.3445E+04  0.0000E+00  7.0845E+01  1.7235E+01  0.0000E+00
 averages -9.8102E+03  0.0000E+00  6.9119E+03 -4.6833E+04  1.3441E+04  0.0000E+00  0.0000E+00  4.0303E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0483E+00
 ------------------------------------------------------------------------------------------------------------------------
     4500 -9.0953E+03  3.1819E+02 -1.1544E+04  1.7823E+03 -1.3409E+04  0.0000E+00  6.3933E+01  1.8306E+01  0.0000E+00
   4.500p -9.9739E+03  0.0000E+00  7.4205E+03 -4.6201E+04  1.3407E+04  0.0000E+00  0.0000E+00  4.0215E+04  0.0000E+00
   6.525m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2883E+00

  rolling -9.0954E+03  3.1619E+02 -1.1525E+04  1.8239E+03 -1.3437E+04  0.0000E+00  7.0301E+01  1.7140E+01  0.0000E+00
 averages -9.8353E+03  0.0000E+00  6.9847E+03 -4.6731E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0282E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0850E+00
 ------------------------------------------------------------------------------------------------------------------------
     4510 -9.0954E+03  3.1784E+02 -1.1542E+04  1.8019E+03 -1.3439E+04  0.0000E+00  7.6907E+01  1.7928E+01  0.0000E+00
   4.510p -9.8395E+03  0.0000E+00  7.0092E+03 -4.6462E+04  1.3438E+04  0.0000E+00  0.0000E+00  4.0033E+04  0.0000E+00
   6.539m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0846E+00

  rolling -9.0954E+03  3.1600E+02 -1.1524E+04  1.8189E+03 -1.3432E+04  0.0000E+00  7.0898E+01  1.7420E+01  0.0000E+00
 averages -9.8478E+03  0.0000E+00  7.0174E+03 -4.6669E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0257E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1028E+00
 ------------------------------------------------------------------------------------------------------------------------
     4520 -9.0953E+03  3.1380E+02 -1.1512E+04  1.8330E+03 -1.3428E+04  0.0000E+00  6.8271E+01  1.3825E+01  0.0000E+00
   4.520p -9.8809E+03  0.0000E+00  7.0691E+03 -4.6875E+04  1.3427E+04  0.0000E+00  0.0000E+00  4.0517E+04  0.0000E+00
   6.553m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1456E+00

  rolling -9.0954E+03  3.1532E+02 -1.1520E+04  1.8181E+03 -1.3425E+04  0.0000E+00  7.0269E+01  1.7009E+01  0.0000E+00
 averages -9.8412E+03  0.0000E+00  6.9851E+03 -4.6662E+04  1.3423E+04  0.0000E+00  0.0000E+00  4.0224E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0918E+00
 ------------------------------------------------------------------------------------------------------------------------
     4530 -9.0952E+03  3.1137E+02 -1.1495E+04  1.8335E+03 -1.3424E+04  0.0000E+00  7.5978E+01  1.9681E+01  0.0000E+00
   4.530p -9.8763E+03  0.0000E+00  7.0159E+03 -4.6894E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0488E+04  0.0000E+00
   6.567m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1374E+00

  rolling -9.0954E+03  3.1493E+02 -1.1518E+04  1.8180E+03 -1.3423E+04  0.0000E+00  7.0222E+01  1.6962E+01  0.0000E+00
 averages -9.8531E+03  0.0000E+00  7.0125E+03 -4.6664E+04  1.3421E+04  0.0000E+00  0.0000E+00  4.0256E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1086E+00
 ------------------------------------------------------------------------------------------------------------------------
     4540 -9.0954E+03  3.1421E+02 -1.1518E+04  1.8466E+03 -1.3443E+04  0.0000E+00  6.2160E+01  1.6699E+01  0.0000E+00
   4.540p -9.7291E+03  0.0000E+00  6.6141E+03 -4.7072E+04  1.3441E+04  0.0000E+00  0.0000E+00  4.0244E+04  0.0000E+00
   6.581m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.1420E-01

  rolling -9.0954E+03  3.1527E+02 -1.1521E+04  1.8177E+03 -1.3426E+04  0.0000E+00  7.0589E+01  1.6677E+01  0.0000E+00
 averages -9.8634E+03  0.0000E+00  7.0462E+03 -4.6664E+04  1.3424E+04  0.0000E+00  0.0000E+00  4.0286E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1228E+00
 ------------------------------------------------------------------------------------------------------------------------
     4550 -9.0954E+03  3.1272E+02 -1.1507E+04  1.8602E+03 -1.3455E+04  0.0000E+00  6.8992E+01  1.8885E+01  0.0000E+00
   4.550p -9.7263E+03  0.0000E+00  6.5803E+03 -4.7236E+04  1.3455E+04  0.0000E+00  0.0000E+00  4.0362E+04  0.0000E+00
   6.595m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.0864E-01

  rolling -9.0954E+03  3.1516E+02 -1.1521E+04  1.8171E+03 -1.3426E+04  0.0000E+00  7.0773E+01  1.6795E+01  0.0000E+00
 averages -9.8701E+03  0.0000E+00  7.0620E+03 -4.6660E+04  1.3424E+04  0.0000E+00  0.0000E+00  4.0298E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1316E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0954E+03  3.1617E+02 -1.1534E+04  1.8719E+03 -1.3494E+04  0.0000E+00  7.0242E+01  1.7828E+01  0.0000E+00
   4.560p -9.5236E+03  0.0000E+00  6.0216E+03 -4.7406E+04  1.3493E+04  0.0000E+00  0.0000E+00  3.9934E+04  0.0000E+00
   6.609m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.0200E-01

  rolling -9.0954E+03  3.1533E+02 -1.1523E+04  1.8191E+03 -1.3430E+04  0.0000E+00  7.0436E+01  1.7248E+01  0.0000E+00
 averages -9.8599E+03  0.0000E+00  7.0313E+03 -4.6690E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0293E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1149E+00
 ------------------------------------------------------------------------------------------------------------------------
     4570 -9.0950E+03  3.0801E+02 -1.1473E+04  1.8726E+03 -1.3441E+04  0.0000E+00  7.6996E+01  1.8226E+01  0.0000E+00
   4.570p -9.6535E+03  0.0000E+00  6.2849E+03 -4.7390E+04  1.3440E+04  0.0000E+00  0.0000E+00  4.0235E+04  0.0000E+00
   6.623m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.9644E-01

  rolling -9.0954E+03  3.1494E+02 -1.1521E+04  1.8247E+03 -1.3433E+04  0.0000E+00  6.9743E+01  1.7215E+01  0.0000E+00
 averages -9.8325E+03  0.0000E+00  6.9405E+03 -4.6765E+04  1.3431E+04  0.0000E+00  0.0000E+00  4.0274E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0724E+00
 ------------------------------------------------------------------------------------------------------------------------
     4580 -9.0953E+03  3.1275E+02 -1.1510E+04  1.8806E+03 -1.3477E+04  0.0000E+00  6.5314E+01  2.1180E+01  0.0000E+00
   4.580p -9.5664E+03  0.0000E+00  6.0919E+03 -4.7514E+04  1.3476E+04  0.0000E+00  0.0000E+00  4.0130E+04  0.0000E+00
   6.637m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.6342E-01

  rolling -9.0954E+03  3.1456E+02 -1.1519E+04  1.8323E+03 -1.3438E+04  0.0000E+00  6.9143E+01  1.7752E+01  0.0000E+00
 averages -9.7959E+03  0.0000E+00  6.8224E+03 -4.6867E+04  1.3437E+04  0.0000E+00  0.0000E+00  4.0252E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0160E+00
 ------------------------------------------------------------------------------------------------------------------------
     4590 -9.0952E+03  3.0844E+02 -1.1478E+04  1.8736E+03 -1.3450E+04  0.0000E+00  7.8419E+01  1.9998E+01  0.0000E+00
   4.590p -9.8263E+03  0.0000E+00  6.8030E+03 -4.7390E+04  1.3449E+04  0.0000E+00  0.0000E+00  4.0744E+04  0.0000E+00
   6.651m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0531E+00

  rolling -9.0954E+03  3.1418E+02 -1.1517E+04  1.8414E+03 -1.3445E+04  0.0000E+00  6.8409E+01  1.8035E+01  0.0000E+00
 averages -9.7665E+03  0.0000E+00  6.7255E+03 -4.6989E+04  1.3444E+04  0.0000E+00  0.0000E+00  4.0271E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.7036E-01
 ------------------------------------------------------------------------------------------------------------------------
     4600 -9.0955E+03  3.1739E+02 -1.1548E+04  1.8663E+03 -1.3503E+04  0.0000E+00  6.6157E+01  2.2615E+01  0.0000E+00
   4.600p -9.8177E+03  0.0000E+00  6.9100E+03 -4.7286E+04  1.3500E+04  0.0000E+00  0.0000E+00  4.0696E+04  0.0000E+00
   6.665m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0383E+00

  rolling -9.0953E+03  3.1341E+02 -1.1512E+04  1.8501E+03 -1.3451E+04  0.0000E+00  6.9813E+01  1.8532E+01  0.0000E+00
 averages -9.7563E+03  0.0000E+00  6.6803E+03 -4.7101E+04  1.3450E+04  0.0000E+00  0.0000E+00  4.0332E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.5356E-01
 ------------------------------------------------------------------------------------------------------------------------
     4610 -9.0954E+03  3.1731E+02 -1.1548E+04  1.8290E+03 -1.3469E+04  0.0000E+00  7.2671E+01  1.9258E+01  0.0000E+00
   4.610p -9.8156E+03  0.0000E+00  6.8995E+03 -4.6810E+04  1.3467E+04  0.0000E+00  0.0000E+00  4.0243E+04  0.0000E+00
   6.680m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0336E+00

  rolling -9.0953E+03  3.1345E+02 -1.1514E+04  1.8558E+03 -1.3458E+04  0.0000E+00  6.9455E+01  1.8691E+01  0.0000E+00
 averages -9.7419E+03  0.0000E+00  6.6348E+03 -4.7176E+04  1.3456E+04  0.0000E+00  0.0000E+00  4.0355E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.3042E-01
 ------------------------------------------------------------------------------------------------------------------------
     4620 -9.0955E+03  3.1628E+02 -1.1542E+04  1.8055E+03 -1.3439E+04  0.0000E+00  6.9247E+01  2.2399E+01  0.0000E+00
   4.620p -9.8322E+03  0.0000E+00  6.9296E+03 -4.6503E+04  1.3437E+04  0.0000E+00  0.0000E+00  3.9995E+04  0.0000E+00
   6.694m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0566E+00

  rolling -9.0953E+03  3.1339E+02 -1.1514E+04  1.8552E+03 -1.3459E+04  0.0000E+00  7.0419E+01  1.9300E+01  0.0000E+00
 averages -9.7451E+03  0.0000E+00  6.6405E+03 -4.7167E+04  1.3458E+04  0.0000E+00  0.0000E+00  4.0350E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.3370E-01
 ------------------------------------------------------------------------------------------------------------------------
     4630 -9.0955E+03  3.1713E+02 -1.1549E+04  1.7853E+03 -1.3412E+04  0.0000E+00  5.5974E+01  2.1130E+01  0.0000E+00
   4.630p -9.8256E+03  0.0000E+00  6.9194E+03 -4.6242E+04  1.3411E+04  0.0000E+00  0.0000E+00  3.9750E+04  0.0000E+00
   6.708m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0450E+00

  rolling -9.0953E+03  3.1370E+02 -1.1518E+04  1.8516E+03 -1.3459E+04  0.0000E+00  7.0127E+01  1.9785E+01  0.0000E+00
 averages -9.7283E+03  0.0000E+00  6.5917E+03 -4.7119E+04  1.3458E+04  0.0000E+00  0.0000E+00  4.0253E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.0689E-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 -9.0956E+03  3.1587E+02 -1.1541E+04  1.7678E+03 -1.3398E+04  0.0000E+00  6.5864E+01  2.2945E+01  0.0000E+00
   4.640p -9.9739E+03  0.0000E+00  7.3410E+03 -4.5999E+04  1.3399E+04  0.0000E+00  0.0000E+00  3.9941E+04  0.0000E+00
   6.721m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2662E+00

  rolling -9.0953E+03  3.1401E+02 -1.1521E+04  1.8452E+03 -1.3456E+04  0.0000E+00  6.9792E+01  2.0152E+01  0.0000E+00
 averages -9.7432E+03  0.0000E+00  6.6379E+03 -4.7030E+04  1.3455E+04  0.0000E+00  0.0000E+00  4.0214E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.2771E-01
 ------------------------------------------------------------------------------------------------------------------------
     4650 -9.0955E+03  3.0993E+02 -1.1497E+04  1.7555E+03 -1.3343E+04  0.0000E+00  6.8610E+01  2.2297E+01  0.0000E+00
   4.650p -1.0067E+04  0.0000E+00  7.5263E+03 -4.5825E+04  1.3345E+04  0.0000E+00  0.0000E+00  4.0006E+04  0.0000E+00
   6.736m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4045E+00

  rolling -9.0954E+03  3.1404E+02 -1.1522E+04  1.8359E+03 -1.3448E+04  0.0000E+00  6.9398E+01  2.0716E+01  0.0000E+00
 averages -9.7704E+03  0.0000E+00  6.7168E+03 -4.6905E+04  1.3447E+04  0.0000E+00  0.0000E+00  4.0174E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6700E-01
 ------------------------------------------------------------------------------------------------------------------------
     4660 -9.0957E+03  3.1309E+02 -1.1522E+04  1.7417E+03 -1.3354E+04  0.0000E+00  7.3780E+01  1.5838E+01  0.0000E+00
   4.660p -1.0213E+04  0.0000E+00  8.0097E+03 -4.5624E+04  1.3356E+04  0.0000E+00  0.0000E+00  4.0277E+04  0.0000E+00
   6.750m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6229E+00

  rolling -9.0954E+03  3.1363E+02 -1.1520E+04  1.8237E+03 -1.3434E+04  0.0000E+00  6.9767E+01  2.0624E+01  0.0000E+00
 averages -9.8304E+03  0.0000E+00  6.8871E+03 -4.6738E+04  1.3434E+04  0.0000E+00  0.0000E+00  4.0192E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0556E+00
 ------------------------------------------------------------------------------------------------------------------------
     4670 -9.0954E+03  3.0937E+02 -1.1495E+04  1.7441E+03 -1.3314E+04  0.0000E+00  5.8155E+01  1.6817E+01  0.0000E+00
   4.670p -9.9832E+03  0.0000E+00  7.2595E+03 -4.5652E+04  1.3315E+04  0.0000E+00  0.0000E+00  3.9597E+04  0.0000E+00
   6.764m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2750E+00

  rolling -9.0954E+03  3.1355E+02 -1.1521E+04  1.8110E+03 -1.3422E+04  0.0000E+00  6.9486E+01  2.0589E+01  0.0000E+00
 averages -9.8749E+03  0.0000E+00  7.0158E+03 -4.6566E+04  1.3422E+04  0.0000E+00  0.0000E+00  4.0161E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1208E+00
 ------------------------------------------------------------------------------------------------------------------------
     4680 -9.0953E+03  3.1236E+02 -1.1519E+04  1.7271E+03 -1.3333E+04  0.0000E+00  7.1107E+01  1.5637E+01  0.0000E+00
   4.680p -1.0144E+04  0.0000E+00  7.7855E+03 -4.5414E+04  1.3331E+04  0.0000E+00  0.0000E+00  3.9868E+04  0.0000E+00
   6.778m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5160E+00

  rolling -9.0954E+03  3.1345E+02 -1.1521E+04  1.7968E+03 -1.3407E+04  0.0000E+00  6.9162E+01  2.0112E+01  0.0000E+00
 averages -9.9191E+03  0.0000E+00  7.1436E+03 -4.6373E+04  1.3407E+04  0.0000E+00  0.0000E+00  4.0110E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1856E+00
 ------------------------------------------------------------------------------------------------------------------------
     4690 -9.0953E+03  3.1245E+02 -1.1521E+04  1.7379E+03 -1.3345E+04  0.0000E+00  7.0269E+01  1.5838E+01  0.0000E+00
   4.690p -1.0093E+04  0.0000E+00  7.6283E+03 -4.5539E+04  1.3344E+04  0.0000E+00  0.0000E+00  3.9824E+04  0.0000E+00
   6.792m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4365E+00

  rolling -9.0954E+03  3.1374E+02 -1.1525E+04  1.7823E+03 -1.3396E+04  0.0000E+00  6.9064E+01  1.9737E+01  0.0000E+00
 averages -9.9639E+03  0.0000E+00  7.2788E+03 -4.6174E+04  1.3395E+04  0.0000E+00  0.0000E+00  4.0058E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2513E+00
 ------------------------------------------------------------------------------------------------------------------------
     4700 -9.0953E+03  3.1381E+02 -1.1532E+04  1.7425E+03 -1.3368E+04  0.0000E+00  7.9599E+01  1.3584E+01  0.0000E+00
   4.700p -1.0305E+04  0.0000E+00  8.2804E+03 -4.5579E+04  1.3366E+04  0.0000E+00  0.0000E+00  4.0493E+04  0.0000E+00
   6.805m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.7532E+00

  rolling -9.0954E+03  3.1390E+02 -1.1527E+04  1.7692E+03 -1.3383E+04  0.0000E+00  6.8164E+01  1.8980E+01  0.0000E+00
 averages -9.9988E+03  0.0000E+00  7.3823E+03 -4.5995E+04  1.3383E+04  0.0000E+00  0.0000E+00  3.9995E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3020E+00
 ------------------------------------------------------------------------------------------------------------------------
     4710 -9.0955E+03  3.1190E+02 -1.1519E+04  1.7657E+03 -1.3377E+04  0.0000E+00  7.6020E+01  1.5864E+01  0.0000E+00
   4.710p -1.0243E+04  0.0000E+00  8.0621E+03 -4.5888E+04  1.3378E+04  0.0000E+00  0.0000E+00  4.0572E+04  0.0000E+00
   6.819m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.6583E+00

  rolling -9.0954E+03  3.1345E+02 -1.1525E+04  1.7595E+03 -1.3372E+04  0.0000E+00  6.9013E+01  1.8385E+01  0.0000E+00
 averages -1.0053E+04  0.0000E+00  7.5338E+03 -4.5860E+04  1.3372E+04  0.0000E+00  0.0000E+00  4.0022E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3814E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0953E+03  3.0791E+02 -1.1490E+04  1.7927E+03 -1.3371E+04  0.0000E+00  7.2703E+01  1.5856E+01  0.0000E+00
   4.720p -1.0071E+04  0.0000E+00  7.4810E+03 -4.6261E+04  1.3370E+04  0.0000E+00  0.0000E+00  4.0371E+04  0.0000E+00
   6.834m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3973E+00

  rolling -9.0955E+03  3.1285E+02 -1.1522E+04  1.7561E+03 -1.3364E+04  0.0000E+00  6.8749E+01  1.7887E+01  0.0000E+00
 averages -1.0082E+04  0.0000E+00  7.6092E+03 -4.5806E+04  1.3364E+04  0.0000E+00  0.0000E+00  4.0051E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4238E+00
 ------------------------------------------------------------------------------------------------------------------------
     4730 -9.0953E+03  3.0627E+02 -1.1479E+04  1.8285E+03 -1.3396E+04  0.0000E+00  6.8817E+01  2.0148E+01  0.0000E+00
   4.730p -9.7153E+03  0.0000E+00  6.3859E+03 -4.6770E+04  1.3394E+04  0.0000E+00  0.0000E+00  3.9761E+04  0.0000E+00
   6.848m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.6043E-01

  rolling -9.0955E+03  3.1194E+02 -1.1516E+04  1.7575E+03 -1.3360E+04  0.0000E+00  6.9041E+01  1.7481E+01  0.0000E+00
 averages -1.0093E+04  0.0000E+00  7.6236E+03 -4.5818E+04  1.3360E+04  0.0000E+00  0.0000E+00  4.0082E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4380E+00
 ------------------------------------------------------------------------------------------------------------------------
     4740 -9.0954E+03  3.0931E+02 -1.1503E+04  1.8582E+03 -1.3444E+04  0.0000E+00  6.6626E+01  1.5902E+01  0.0000E+00
   4.740p -9.7040E+03  0.0000E+00  6.3942E+03 -4.7185E+04  1.3443E+04  0.0000E+00  0.0000E+00  4.0136E+04  0.0000E+00
   6.862m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.4140E-01

  rolling -9.0955E+03  3.1111E+02 -1.1511E+04  1.7647E+03 -1.3362E+04  0.0000E+00  6.9140E+01  1.7148E+01  0.0000E+00
 averages -1.0068E+04  0.0000E+00  7.5329E+03 -4.5912E+04  1.3362E+04  0.0000E+00  0.0000E+00  4.0083E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3989E+00
 ------------------------------------------------------------------------------------------------------------------------
     4750 -9.0956E+03  3.1663E+02 -1.1561E+04  1.8804E+03 -1.3524E+04  0.0000E+00  6.8009E+01  1.4427E+01  0.0000E+00
   4.750p -9.7324E+03  0.0000E+00  6.5865E+03 -4.7509E+04  1.3523E+04  0.0000E+00  0.0000E+00  4.0572E+04  0.0000E+00
   6.876m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.8182E-01

  rolling -9.0954E+03  3.1112E+02 -1.1512E+04  1.7757E+03 -1.3374E+04  0.0000E+00  6.9427E+01  1.6278E+01  0.0000E+00
 averages -1.0040E+04  0.0000E+00  7.4459E+03 -4.6058E+04  1.3373E+04  0.0000E+00  0.0000E+00  4.0130E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3552E+00
 ------------------------------------------------------------------------------------------------------------------------
     4760 -9.0955E+03  3.0818E+02 -1.1497E+04  1.8871E+03 -1.3460E+04  0.0000E+00  6.2268E+01  1.3376E+01  0.0000E+00
   4.760p -9.5978E+03  0.0000E+00  6.0503E+03 -4.7621E+04  1.3460E+04  0.0000E+00  0.0000E+00  4.0211E+04  0.0000E+00
   6.890m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.7749E-01

  rolling -9.0955E+03  3.1143E+02 -1.1516E+04  1.7898E+03 -1.3390E+04  0.0000E+00  6.8399E+01  1.5842E+01  0.0000E+00
 averages -9.9882E+03  0.0000E+00  7.2903E+03 -4.6250E+04  1.3389E+04  0.0000E+00  0.0000E+00  4.0151E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2747E+00
 ------------------------------------------------------------------------------------------------------------------------
     4770 -9.0955E+03  3.0641E+02 -1.1485E+04  1.8638E+03 -1.3428E+04  0.0000E+00  6.2492E+01  1.6443E+01  0.0000E+00
   4.770p -9.6418E+03  0.0000E+00  6.1516E+03 -4.7329E+04  1.3428E+04  0.0000E+00  0.0000E+00  4.0052E+04  0.0000E+00
   6.904m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.4184E-01

  rolling -9.0954E+03  3.1067E+02 -1.1511E+04  1.8031E+03 -1.3398E+04  0.0000E+00  6.8227E+01  1.5669E+01  0.0000E+00
 averages -9.9411E+03  0.0000E+00  7.1335E+03 -4.6434E+04  1.3397E+04  0.0000E+00  0.0000E+00  4.0170E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2018E+00
 ------------------------------------------------------------------------------------------------------------------------
     4780 -9.0957E+03  3.1897E+02 -1.1583E+04  1.8211E+03 -1.3485E+04  0.0000E+00  6.6125E+01  1.5429E+01  0.0000E+00
   4.780p -9.8814E+03  0.0000E+00  7.0571E+03 -4.6773E+04  1.3486E+04  0.0000E+00  0.0000E+00  4.0344E+04  0.0000E+00
   6.919m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1000E+00

  rolling -9.0955E+03  3.1111E+02 -1.1516E+04  1.8136E+03 -1.3414E+04  0.0000E+00  6.8590E+01  1.5721E+01  0.0000E+00
 averages -9.9125E+03  0.0000E+00  7.0507E+03 -4.6584E+04  1.3413E+04  0.0000E+00  0.0000E+00  4.0222E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1569E+00
 ------------------------------------------------------------------------------------------------------------------------
     4790 -9.0955E+03  3.1545E+02 -1.1557E+04  1.7896E+03 -1.3430E+04  0.0000E+00  6.5760E+01  1.7424E+01  0.0000E+00
   4.790p -9.9601E+03  0.0000E+00  7.2363E+03 -4.6360E+04  1.3429E+04  0.0000E+00  0.0000E+00  4.0168E+04  0.0000E+00
   6.933m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2168E+00

  rolling -9.0955E+03  3.1140E+02 -1.1520E+04  1.8208E+03 -1.3424E+04  0.0000E+00  6.8441E+01  1.5702E+01  0.0000E+00
 averages -9.8924E+03  0.0000E+00  6.9909E+03 -4.6692E+04  1.3424E+04  0.0000E+00  0.0000E+00  4.0259E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1247E+00
 ------------------------------------------------------------------------------------------------------------------------
 ------------------------------------------------------------------------------------------------------------------------

     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 -9.0956E+03  3.2007E+02 -1.1594E+04  1.7856E+03 -1.3466E+04  0.0000E+00  6.9628E+01  1.6937E+01  0.0000E+00
   4.800p -1.0043E+04  0.0000E+00  7.5521E+03 -4.6309E+04  1.3463E+04  0.0000E+00  0.0000E+00  4.0397E+04  0.0000E+00
   6.947m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3399E+00

  rolling -9.0955E+03  3.1173E+02 -1.1523E+04  1.8253E+03 -1.3434E+04  0.0000E+00  6.8992E+01  1.6083E+01  0.0000E+00
 averages -9.8707E+03  0.0000E+00  6.9269E+03 -4.6766E+04  1.3433E+04  0.0000E+00  0.0000E+00  4.0260E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0901E+00
 ------------------------------------------------------------------------------------------------------------------------
     4810 -9.0954E+03  3.1405E+02 -1.1549E+04  1.8262E+03 -1.3469E+04  0.0000E+00  7.3892E+01  2.0413E+01  0.0000E+00
   4.810p -9.8914E+03  0.0000E+00  7.0004E+03 -4.6836E+04  1.3468E+04  0.0000E+00  0.0000E+00  4.0368E+04  0.0000E+00
   6.961m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1092E+00

  rolling -9.0955E+03  3.1216E+02 -1.1528E+04  1.8305E+03 -1.3443E+04  0.0000E+00  6.8497E+01  1.6402E+01  0.0000E+00
 averages -9.8386E+03  0.0000E+00  6.8331E+03 -4.6851E+04  1.3443E+04  0.0000E+00  0.0000E+00  4.0241E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0398E+00
 ------------------------------------------------------------------------------------------------------------------------
     4820 -9.0956E+03  3.1390E+02 -1.1549E+04  1.8700E+03 -1.3506E+04  0.0000E+00  6.6539E+01  2.0179E+01  0.0000E+00
   4.820p -9.7977E+03  0.0000E+00  6.7122E+03 -4.7407E+04  1.3505E+04  0.0000E+00  0.0000E+00  4.0614E+04  0.0000E+00
   6.975m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6582E-01

  rolling -9.0955E+03  3.1249E+02 -1.1532E+04  1.8379E+03 -1.3454E+04  0.0000E+00  6.7708E+01  1.6967E+01  0.0000E+00
 averages -9.8044E+03  0.0000E+00  6.7316E+03 -4.6962E+04  1.3454E+04  0.0000E+00  0.0000E+00  4.0240E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.8631E-01
 ------------------------------------------------------------------------------------------------------------------------
     4830 -9.0955E+03  3.0909E+02 -1.1514E+04  1.8866E+03 -1.3492E+04  0.0000E+00  7.4296E+01  1.7371E+01  0.0000E+00
   4.830p -9.7040E+03  0.0000E+00  6.3539E+03 -4.7637E+04  1.3492E+04  0.0000E+00  0.0000E+00  4.0500E+04  0.0000E+00
   6.988m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.2282E-01

  rolling -9.0955E+03  3.1307E+02 -1.1538E+04  1.8447E+03 -1.3467E+04  0.0000E+00  6.7878E+01  1.6918E+01  0.0000E+00
 averages -9.7936E+03  0.0000E+00  6.7040E+03 -4.7064E+04  1.3466E+04  0.0000E+00  0.0000E+00  4.0302E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6799E-01
 ------------------------------------------------------------------------------------------------------------------------
     4840 -9.0955E+03  3.0771E+02 -1.1505E+04  1.8960E+03 -1.3492E+04  0.0000E+00  7.3394E+01  1.8054E+01  0.0000E+00
   4.840p -9.6651E+03  0.0000E+00  6.2118E+03 -4.7772E+04  1.3491E+04  0.0000E+00  0.0000E+00  4.0493E+04  0.0000E+00
   7.003m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.6210E-01

  rolling -9.0955E+03  3.1302E+02 -1.1539E+04  1.8493E+03 -1.3473E+04  0.0000E+00  6.8523E+01  1.6895E+01  0.0000E+00
 averages -9.7919E+03  0.0000E+00  6.6941E+03 -4.7133E+04  1.3473E+04  0.0000E+00  0.0000E+00  4.0355E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6341E-01
 ------------------------------------------------------------------------------------------------------------------------
     4850 -9.0955E+03  3.1018E+02 -1.1525E+04  1.8948E+03 -1.3502E+04  0.0000E+00  6.8702E+01  1.3693E+01  0.0000E+00
   4.850p -9.6463E+03  0.0000E+00  6.1887E+03 -4.7773E+04  1.3499E+04  0.0000E+00  0.0000E+00  4.0463E+04  0.0000E+00
   7.017m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.3164E-01

  rolling -9.0955E+03  3.1266E+02 -1.1537E+04  1.8520E+03 -1.3475E+04  0.0000E+00  6.8692E+01  1.6983E+01  0.0000E+00
 averages -9.7847E+03  0.0000E+00  6.6627E+03 -4.7177E+04  1.3474E+04  0.0000E+00  0.0000E+00  4.0366E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.5050E-01
 ------------------------------------------------------------------------------------------------------------------------
     4860 -9.0954E+03  3.1086E+02 -1.1532E+04  1.8994E+03 -1.3517E+04  0.0000E+00  7.1496E+01  1.3893E+01  0.0000E+00
   4.860p -9.5584E+03  0.0000E+00  5.9312E+03 -4.7838E+04  1.3513E+04  0.0000E+00  0.0000E+00  4.0256E+04  0.0000E+00
   7.031m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -5.9724E-01

  rolling -9.0955E+03  3.1223E+02 -1.1535E+04  1.8530E+03 -1.3475E+04  0.0000E+00  6.9603E+01  1.6981E+01  0.0000E+00
 averages -9.7762E+03  0.0000E+00  6.6264E+03 -4.7197E+04  1.3474E+04  0.0000E+00  0.0000E+00  4.0350E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.3556E-01
 ------------------------------------------------------------------------------------------------------------------------
     4870 -9.0954E+03  3.0867E+02 -1.1517E+04  1.9186E+03 -1.3516E+04  0.0000E+00  6.7229E+01  1.3522E+01  0.0000E+00
   4.870p -9.5763E+03  0.0000E+00  5.9469E+03 -4.8074E+04  1.3514E+04  0.0000E+00  0.0000E+00  4.0507E+04  0.0000E+00
   7.045m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.2196E-01

  rolling -9.0955E+03  3.1289E+02 -1.1542E+04  1.8561E+03 -1.3484E+04  0.0000E+00  6.9860E+01  1.6828E+01  0.0000E+00
 averages -9.7756E+03  0.0000E+00  6.6305E+03 -4.7241E+04  1.3483E+04  0.0000E+00  0.0000E+00  4.0388E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.3254E-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

 ------------------------------------------------------------------------------------------------------------------------
     4880 -9.0954E+03  3.0987E+02 -1.1527E+04  1.9234E+03 -1.3534E+04  0.0000E+00  6.7297E+01  1.6016E+01  0.0000E+00
   4.880p -9.6167E+03  0.0000E+00  6.0822E+03 -4.8141E+04  1.3530E+04  0.0000E+00  0.0000E+00  4.0693E+04  0.0000E+00
   7.058m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -6.8061E-01

  rolling -9.0955E+03  3.1232E+02 -1.1539E+04  1.8645E+03 -1.3490E+04  0.0000E+00  6.9850E+01  1.6705E+01  0.0000E+00
 averages -9.7566E+03  0.0000E+00  6.5607E+03 -4.7354E+04  1.3488E+04  0.0000E+00  0.0000E+00  4.0427E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.0186E-01
 ------------------------------------------------------------------------------------------------------------------------
     4890 -9.0956E+03  3.1401E+02 -1.1560E+04  1.8984E+03 -1.3543E+04  0.0000E+00  7.0094E+01  1.3914E+01  0.0000E+00
   4.890p -9.8075E+03  0.0000E+00  6.7128E+03 -4.7795E+04  1.3541E+04  0.0000E+00  0.0000E+00  4.0967E+04  0.0000E+00
   7.072m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.6525E-01

  rolling -9.0955E+03  3.1186E+02 -1.1537E+04  1.8754E+03 -1.3499E+04  0.0000E+00  7.0071E+01  1.6584E+01  0.0000E+00
 averages -9.7350E+03  0.0000E+00  6.4846E+03 -4.7499E+04  1.3497E+04  0.0000E+00  0.0000E+00  4.0487E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.6721E-01
 ------------------------------------------------------------------------------------------------------------------------
     4900 -9.0955E+03  3.0884E+02 -1.1522E+04  1.8863E+03 -1.3492E+04  0.0000E+00  6.7570E+01  1.6263E+01  0.0000E+00
   4.900p -9.7166E+03  0.0000E+00  6.3575E+03 -4.7633E+04  1.3491E+04  0.0000E+00  0.0000E+00  4.0500E+04  0.0000E+00
   7.086m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.2655E-01

  rolling -9.0955E+03  3.1134E+02 -1.1534E+04  1.8857E+03 -1.3506E+04  0.0000E+00  6.9684E+01  1.6312E+01  0.0000E+00
 averages -9.7147E+03  0.0000E+00  6.4112E+03 -4.7634E+04  1.3504E+04  0.0000E+00  0.0000E+00  4.0542E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.3436E-01
 ------------------------------------------------------------------------------------------------------------------------
     4910 -9.0956E+03  3.1049E+02 -1.1536E+04  1.8965E+03 -1.3515E+04  0.0000E+00  6.7868E+01  1.3668E+01  0.0000E+00
   4.910p -9.7372E+03  0.0000E+00  6.4393E+03 -4.7745E+04  1.3512E+04  0.0000E+00  0.0000E+00  4.0672E+04  0.0000E+00
   7.101m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.5500E-01

  rolling -9.0955E+03  3.1047E+02 -1.1529E+04  1.8945E+03 -1.3509E+04  0.0000E+00  6.9185E+01  1.6012E+01  0.0000E+00
 averages -9.6859E+03  0.0000E+00  6.3071E+03 -4.7749E+04  1.3507E+04  0.0000E+00  0.0000E+00  4.0550E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.8884E-01
 ------------------------------------------------------------------------------------------------------------------------
     4920 -9.0954E+03  3.0469E+02 -1.1494E+04  1.8855E+03 -1.3465E+04  0.0000E+00  6.9985E+01  1.5575E+01  0.0000E+00
   4.920p -9.6777E+03  0.0000E+00  6.1688E+03 -4.7590E+04  1.3462E+04  0.0000E+00  0.0000E+00  4.0296E+04  0.0000E+00
   7.115m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.6364E-01

  rolling -9.0955E+03  3.0990E+02 -1.1526E+04  1.8985E+03 -1.3510E+04  0.0000E+00  6.9703E+01  1.5343E+01  0.0000E+00
 averages -9.6752E+03  0.0000E+00  6.2620E+03 -4.7800E+04  1.3507E+04  0.0000E+00  0.0000E+00  4.0555E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.7058E-01
 ------------------------------------------------------------------------------------------------------------------------
     4930 -9.0955E+03  3.0684E+02 -1.1511E+04  1.8321E+03 -1.3429E+04  0.0000E+00  7.1121E+01  1.4807E+01  0.0000E+00
   4.930p -9.8343E+03  0.0000E+00  6.6670E+03 -4.6902E+04  1.3428E+04  0.0000E+00  0.0000E+00  4.0141E+04  0.0000E+00
   7.129m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.9711E-01

  rolling -9.0955E+03  3.0916E+02 -1.1522E+04  1.8964E+03 -1.3503E+04  0.0000E+00  6.9695E+01  1.5102E+01  0.0000E+00
 averages -9.6707E+03  0.0000E+00  6.2330E+03 -4.7770E+04  1.3501E+04  0.0000E+00  0.0000E+00  4.0503E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -7.6170E-01
 ------------------------------------------------------------------------------------------------------------------------
     4940 -9.0956E+03  3.1189E+02 -1.1551E+04  1.7840E+03 -1.3426E+04  0.0000E+00  7.4410E+01  1.6398E+01  0.0000E+00
   4.940p -1.0134E+04  0.0000E+00  7.6388E+03 -4.6280E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0493E+04  0.0000E+00
   7.143m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4460E+00

  rolling -9.0955E+03  3.0939E+02 -1.1525E+04  1.8875E+03 -1.3497E+04  0.0000E+00  6.9843E+01  1.4834E+01  0.0000E+00
 averages -9.7066E+03  0.0000E+00  6.3400E+03 -4.7651E+04  1.3495E+04  0.0000E+00  0.0000E+00  4.0496E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.1357E-01
 ------------------------------------------------------------------------------------------------------------------------
     4950 -9.0956E+03  3.0952E+02 -1.1535E+04  1.7571E+03 -1.3380E+04  0.0000E+00  7.2551E+01  1.5968E+01  0.0000E+00
   4.950p -1.0094E+04  0.0000E+00  7.4772E+03 -4.5944E+04  1.3380E+04  0.0000E+00  0.0000E+00  4.0041E+04  0.0000E+00
   7.157m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3831E+00

  rolling -9.0955E+03  3.0954E+02 -1.1528E+04  1.8745E+03 -1.3488E+04  0.0000E+00  7.0367E+01  1.4900E+01  0.0000E+00
 averages -9.7542E+03  0.0000E+00  6.4807E+03 -4.7479E+04  1.3485E+04  0.0000E+00  0.0000E+00  4.0474E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -8.8300E-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

 ------------------------------------------------------------------------------------------------------------------------
     4960 -9.0954E+03  3.0761E+02 -1.1521E+04  1.7464E+03 -1.3359E+04  0.0000E+00  7.2543E+01  1.8748E+01  0.0000E+00
   4.960p -1.0082E+04  0.0000E+00  7.4105E+03 -4.5808E+04  1.3357E+04  0.0000E+00  0.0000E+00  3.9861E+04  0.0000E+00
   7.171m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3642E+00

  rolling -9.0955E+03  3.0934E+02 -1.1528E+04  1.8598E+03 -1.3473E+04  0.0000E+00  7.0334E+01  1.5243E+01  0.0000E+00
 averages -9.8035E+03  0.0000E+00  6.6213E+03 -4.7284E+04  1.3471E+04  0.0000E+00  0.0000E+00  4.0434E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -9.5506E-01
 ------------------------------------------------------------------------------------------------------------------------
     4970 -9.0954E+03  3.0739E+02 -1.1521E+04  1.7500E+03 -1.3360E+04  0.0000E+00  6.8139E+01  2.0379E+01  0.0000E+00
   4.970p -1.0066E+04  0.0000E+00  7.3522E+03 -4.5858E+04  1.3357E+04  0.0000E+00  0.0000E+00  3.9853E+04  0.0000E+00
   7.186m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.3367E+00

  rolling -9.0955E+03  3.0911E+02 -1.1527E+04  1.8438E+03 -1.3458E+04  0.0000E+00  7.0548E+01  1.5891E+01  0.0000E+00
 averages -9.8548E+03  0.0000E+00  6.7673E+03 -4.7072E+04  1.3456E+04  0.0000E+00  0.0000E+00  4.0383E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0301E+00
 ------------------------------------------------------------------------------------------------------------------------
     4980 -9.0955E+03  3.1026E+02 -1.1545E+04  1.7439E+03 -1.3380E+04  0.0000E+00  7.1641E+01  1.9943E+01  0.0000E+00
   4.980p -1.0111E+04  0.0000E+00  7.5286E+03 -4.5769E+04  1.3378E+04  0.0000E+00  0.0000E+00  3.9919E+04  0.0000E+00
   7.199m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.4032E+00

  rolling -9.0955E+03  3.0901E+02 -1.1528E+04  1.8261E+03 -1.3441E+04  0.0000E+00  7.0848E+01  1.6382E+01  0.0000E+00
 averages -9.9013E+03  0.0000E+00  6.9008E+03 -4.6840E+04  1.3440E+04  0.0000E+00  0.0000E+00  4.0301E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.0978E+00
 ------------------------------------------------------------------------------------------------------------------------
     4990 -9.0955E+03  3.1140E+02 -1.1555E+04  1.7514E+03 -1.3398E+04  0.0000E+00  7.2253E+01  1.9514E+01  0.0000E+00
   4.990p -1.0194E+04  0.0000E+00  7.7905E+03 -4.5857E+04  1.3395E+04  0.0000E+00  0.0000E+00  4.0252E+04  0.0000E+00
   7.214m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5258E+00

  rolling -9.0955E+03  3.0901E+02 -1.1529E+04  1.8096E+03 -1.3427E+04  0.0000E+00  7.1124E+01  1.6915E+01  0.0000E+00
 averages -9.9464E+03  0.0000E+00  7.0320E+03 -4.6622E+04  1.3425E+04  0.0000E+00  0.0000E+00  4.0228E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.1636E+00
 ------------------------------------------------------------------------------------------------------------------------
     5000 -9.0954E+03  3.0903E+02 -1.1538E+04  1.7509E+03 -1.3383E+04  0.0000E+00  7.5689E+01  1.8123E+01  0.0000E+00
   5.000p -1.0205E+04  0.0000E+00  7.7842E+03 -4.5865E+04  1.3380E+04  0.0000E+00  0.0000E+00  4.0270E+04  0.0000E+00
   7.228m  4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.5409E+00

  rolling -9.0955E+03  3.0891E+02 -1.1530E+04  1.7960E+03 -1.3414E+04  0.0000E+00  7.0791E+01  1.7237E+01  0.0000E+00
 averages -9.9891E+03  0.0000E+00  7.1542E+03 -4.6442E+04  1.3412E+04  0.0000E+00  0.0000E+00  4.0184E+04  0.0000E+00
           4.5563E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2257E+00
 ------------------------------------------------------------------------------------------------------------------------


 run terminating. elapsed cpu time =   4.33661E+02, job time =   1.667h, close time =  100.00s



 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 -9.0956E+03  3.1046E+02 -1.1533E+04  1.7934E+03 -1.3417E+04  0.0000E+00  7.1599E+01  1.8601E+01  0.0000E+00
   5.000p -1.0017E+04  0.0000E+00  7.2867E+03 -4.6332E+04  1.3417E+04  0.0000E+00  0.0000E+00  4.0202E+04  0.0000E+00
   7.230m  4.5562E+04  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00 -1.2803E+00

  r.m.s.   1.8793E-01  4.4244E+00  4.7492E+01  5.1662E+01  7.8971E+01  0.0000E+00  5.5380E+00  3.0014E+00  0.0000E+00
 fluctn.   2.0913E+02  0.0000E+00  6.0185E+02  7.2858E+02  7.8990E+01  0.0000E+00  0.0000E+00  3.5234E+02  0.0000E+00
           1.0083E-10  0.0000E+00  0.0000E+00  0.0000E+00  1.4390E-13  1.4390E-13  1.4390E-13  0.0000E+00  3.0001E-01
 ------------------------------------------------------------------------------------------------------------------------


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

            atom        D 
            CT         5.0473E+00
            C          4.9097E+00
            H          5.7788E+00
            HC         4.9810E+00
            N          5.3253E+00
            OS         4.7520E+00
            Oe         5.6059E+00
            O          3.7027E+00
            K          4.8587E+00
            OW         5.9140E+00
            HW         6.1694E+00


                Average pressure tensor                                       r.m.s. fluctuations 

          -1.2844E+00 -5.0830E-02 -2.8645E-02                          4.3031E-01  2.7572E-01  2.6997E-01
          -5.0830E-02 -1.2707E+00 -2.8055E-02                          2.7572E-01  4.3810E-01  2.9015E-01
          -2.8645E-02 -2.8055E-02 -1.2858E+00                          2.6997E-01  2.9015E-01  4.4360E-01

            trace/3.  -1.2803E+00


 sample of final configuration

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


      1 -4.7792E+00  2.0472E+00 -6.8551E+00  1.3993E+00 -1.7978E+00 -6.7853E+00  5.0390E+03  1.3094E+02 -2.9215E+02
    193  7.6162E-01 -1.4407E+01  1.0248E+01 -9.9561E-01  2.8392E+00 -3.6293E+00  1.6985E+02 -1.3928E+03 -1.4037E+03
    385  7.4502E-01 -1.0276E+00  7.6298E+00  1.5297E+00 -5.4627E+00 -1.1718E+01  1.3801E+03 -1.4480E+03  4.2823E+01
    577  7.5783E+00 -1.9649E+01  1.3983E+00  1.8396E+00  2.0259E+00  1.6749E+00  1.1044E+03  1.3147E+03  3.0745E+02
    769 -1.6736E+01 -7.2615E+00  4.0268E+00  1.7506E+01 -6.9747E+00 -4.7697E+00 -7.6481E+02  1.0947E+02  4.0026E+00
    961 -8.7327E+00 -2.5119E+00  4.0994E+00 -5.5010E-01  2.7321E+00 -1.0189E-01 -3.1800E+02  6.0755E+01  1.0571E+03
   1153 -1.1170E+01 -6.5159E+00 -2.6348E+00  1.8068E+01 -4.1544E+00  6.8445E+00  4.5876E+02  6.1719E+02 -1.5912E+03
   1345  8.5318E+00 -2.0149E+01 -9.9920E-01  9.3012E+00 -1.3992E+00  5.6577E+00  6.0982E+02 -1.5455E+03  5.2819E+02
   1537  1.9878E+01  5.7706E+00 -5.0788E+00  8.4994E+00  5.2738E+00  1.1170E+01  3.1205E+03  1.1529E+03 -1.2385E+03
   1729  1.2386E+01 -6.6000E+00  4.1556E+00  3.1018E+00 -6.2114E+00  3.3052E+01  8.7831E+02  2.1489E+03 -2.1404E+02
   1921  6.6295E+00  1.4561E+01 -6.9306E+00 -3.0862E+00  5.3850E+00  1.9793E-01 -8.2125E+02  3.1414E+02  1.0613E+03
   2113  1.3633E+01  1.5885E+00  7.7235E+00  1.7596E+01  1.5251E+01 -9.1167E+00  5.6926E+02  3.3496E+03 -4.1710E+02
   2305 -9.9923E+00  1.1974E+01  1.0215E+01 -1.4470E+01  3.4358E+00  8.1316E+00 -3.5413E+02  6.6462E+02  5.0941E+02
   2497  6.2079E+00 -3.6030E+00 -1.1060E+01 -1.4255E+01  6.0263E-01 -1.1047E+01 -5.7339E+02  4.4618E+02  7.9079E+02
   2689  1.8715E+01 -7.6632E+00  5.9301E+00 -4.8146E+00 -1.7650E+01 -9.4293E+00 -7.6674E+02 -1.8004E+02 -8.7605E+01
   2881  1.3360E+01 -1.3529E+01  6.8090E+00  1.2312E+01 -1.5226E+01 -2.6761E+01  1.1065E+03  1.0728E+03  4.1171E+02
   3073 -5.2453E+00  1.6807E+01  7.4593E+00 -6.9665E+00  8.5898E+00 -9.4740E+00 -2.3040E+02  4.3960E+02  4.8926E+02
   3265  6.2743E+00 -2.0355E+00 -1.2813E+01  4.4374E+00  5.2957E+00  1.0726E-01  1.6424E+03  1.8774E+02 -1.2857E+03
   3457 -6.6136E+00  1.1232E+01 -5.0744E+00  1.2899E+01  2.1410E+01 -1.0554E+01  1.4807E+03  5.7339E+02 -7.5851E+02
   3649  5.2298E+00 -2.2049E+01 -5.7530E+00  5.0982E+00 -1.8706E+01 -1.5929E+01 -2.0174E+03  8.9458E+01 -6.7972E+02


            RADIAL DISTRIBUTION FUNCTIONS

calculated using       5000 configurations

g(r)  :CT      CT      

        r      g(r)         n(r)

    3.3750  0.000000E+00  0.000000E+00
    3.4250  0.000000E+00  0.000000E+00
    3.4750  5.038180E-02  3.523810E-04
    3.5250  1.773243E-01  1.628571E-03
    3.5750  2.187151E-01  3.247619E-03
    3.6250  2.727864E-01  5.323810E-03
    3.6750  9.800846E-01  1.299048E-02
    3.7250  5.295907E+00  5.555238E-02
    3.7750  9.626559E+00  1.350095E-01
    3.8250  4.860782E+00  1.762000E-01
    3.8750  1.674353E+00  1.907619E-01
    3.9250  2.080251E+00  2.093238E-01
    3.9750  2.440349E+00  2.316571E-01
    4.0250  2.944418E+00  2.592857E-01
    4.0750  3.260770E+00  2.906476E-01
    4.1250  3.651849E+00  3.266381E-01
    4.1750  4.684655E+00  3.739333E-01
    4.2250  4.884861E+00  4.244381E-01
    4.2750  5.375883E+00  4.813429E-01
    4.3250  6.340565E+00  5.500381E-01
    4.3750  7.164639E+00  6.294667E-01
    4.4250  7.783784E+00  7.177429E-01
    4.4750  8.634736E+00  8.178952E-01
    4.5250  9.458430E+00  9.300667E-01
    4.5750  1.110213E+01  1.064657E+00
    4.6250  1.311570E+01  1.227152E+00
    4.6750  1.585584E+01  1.427867E+00
    4.7250  1.890486E+01  1.672324E+00
    4.7750  2.103801E+01  1.950152E+00
    4.8250  2.132891E+01  2.237752E+00
    4.8750  1.948427E+01  2.505952E+00
    4.9250  1.799990E+01  2.758829E+00
    4.9750  1.713036E+01  3.004400E+00
    5.0250  1.575835E+01  3.234867E+00
    5.0750  1.383415E+01  3.441238E+00
    5.1250  1.291445E+01  3.637705E+00
    5.1750  1.196186E+01  3.823248E+00
    5.2250  1.174004E+01  4.008886E+00
    5.2750  1.117107E+01  4.188924E+00
    5.3250  1.136297E+01  4.375543E+00
    5.3750  1.131761E+01  4.564924E+00
    5.4250  1.077696E+01  4.748629E+00
    5.4750  1.090905E+01  4.938029E+00
    5.5250  1.138584E+01  5.139333E+00
    5.5750  1.100053E+01  5.337362E+00
    5.6250  9.871439E+00  5.518267E+00
    5.6750  1.031196E+01  5.710619E+00
    5.7250  9.472407E+00  5.890438E+00
    5.7750  9.423479E+00  6.072467E+00
    5.8250  9.596296E+00  6.261057E+00
    5.8750  1.020018E+01  6.464971E+00
    5.9250  1.068309E+01  6.682190E+00
    5.9750  1.085555E+01  6.906657E+00
    6.0250  1.181354E+01  7.155038E+00
    6.0750  1.260142E+01  7.424400E+00
    6.1250  1.307195E+01  7.708438E+00
    6.1750  1.396594E+01  8.016876E+00
    6.2250  1.321037E+01  8.313371E+00
    6.2750  1.084045E+01  8.560600E+00
    6.3250  9.656977E+00  8.784362E+00
    6.3750  8.157152E+00  8.976371E+00
    6.4250  7.589340E+00  9.157829E+00
    6.4750  7.322371E+00  9.335638E+00
    6.5250  6.973447E+00  9.507600E+00
    6.5750  7.066339E+00  9.684533E+00
    6.6250  6.969071E+00  9.861695E+00
    6.6750  6.683116E+00  1.003416E+01
    6.7250  7.057492E+00  1.021903E+01
    6.7750  7.398636E+00  1.041572E+01
    6.8250  7.540204E+00  1.061915E+01
    6.8750  8.002510E+00  1.083823E+01
    6.9250  7.996748E+00  1.106034E+01
    6.9750  8.487506E+00  1.129950E+01
    7.0250  8.266494E+00  1.153579E+01
    7.0750  8.197699E+00  1.177346E+01
    7.1250  7.763354E+00  1.200172E+01
    7.1750  7.797986E+00  1.223424E+01
    7.2250  7.483474E+00  1.246050E+01
    7.2750  7.577316E+00  1.269277E+01
    7.3250  7.396384E+00  1.292263E+01
    7.3750  7.337852E+00  1.315379E+01
    7.4250  7.107230E+00  1.338073E+01
    7.4750  6.956260E+00  1.360586E+01
    7.5250  6.693379E+00  1.382538E+01
    7.5750  6.608748E+00  1.404502E+01
    7.6250  6.586278E+00  1.426681E+01
    7.6750  6.798591E+00  1.449876E+01
    7.7250  6.219023E+00  1.471371E+01
    7.7750  6.417016E+00  1.493839E+01
    7.8250  6.508753E+00  1.516922E+01
    7.8750  6.067621E+00  1.538716E+01
    7.9250  6.016434E+00  1.560602E+01
    7.9750  6.098938E+00  1.583069E+01
    8.0250  6.481999E+00  1.607247E+01
    8.0750  6.359106E+00  1.631263E+01
    8.1250  6.273360E+00  1.655250E+01
    8.1750  6.424693E+00  1.680118E+01
    8.2250  6.624395E+00  1.706074E+01
    8.2750  6.264108E+00  1.730918E+01
    8.3250  5.943766E+00  1.754777E+01
    8.3750  5.744070E+00  1.778112E+01
    8.4250  5.778023E+00  1.801867E+01
    8.4750  5.576350E+00  1.825065E+01
    8.5250  5.643037E+00  1.848818E+01
    8.5750  5.228343E+00  1.871085E+01
    8.6250  5.159501E+00  1.893315E+01
    8.6750  5.180386E+00  1.915895E+01
    8.7250  5.032622E+00  1.938085E+01
    8.7750  5.034373E+00  1.960537E+01
    8.8250  5.125071E+00  1.983655E+01
    8.8750  4.829915E+00  2.005690E+01
    8.9250  4.678722E+00  2.027275E+01
    8.9750  4.548348E+00  2.048495E+01
    9.0250  4.432480E+00  2.069406E+01
    9.0750  4.457247E+00  2.090667E+01
    9.1250  4.536107E+00  2.112543E+01
    9.1750  4.453790E+00  2.134258E+01
    9.2250  4.635382E+00  2.157106E+01
    9.2750  4.590509E+00  2.179978E+01
    9.3250  4.425117E+00  2.202265E+01
    9.3750  4.543802E+00  2.225395E+01
    9.4250  4.441113E+00  2.248245E+01
    9.4750  4.349124E+00  2.270859E+01
    9.5250  4.200276E+00  2.292930E+01
    9.5750  4.011785E+00  2.314233E+01
    9.6250  3.953706E+00  2.335448E+01
    9.6750  3.607991E+00  2.355009E+01
    9.7250  3.632534E+00  2.374907E+01
    9.7750  3.662411E+00  2.395175E+01
    9.8250  3.610069E+00  2.415359E+01
    9.8750  3.437189E+00  2.434772E+01
    9.9250  3.342384E+00  2.453842E+01
    9.9750  3.293260E+00  2.472821E+01
   10.0250  3.357351E+00  2.492364E+01
   10.0750  3.361855E+00  2.512129E+01
   10.1250  3.543827E+00  2.533170E+01
   10.1750  3.751292E+00  2.555665E+01
   10.2250  3.633540E+00  2.577668E+01
   10.2750  3.378502E+00  2.598327E+01
   10.3250  3.330898E+00  2.618893E+01
   10.3750  3.302537E+00  2.639483E+01
   10.4250  3.487291E+00  2.661434E+01
   10.4750  3.482852E+00  2.683569E+01
   10.5250  3.513964E+00  2.706114E+01
   10.5750  3.517573E+00  2.728898E+01
   10.6250  3.380983E+00  2.751005E+01
   10.6750  3.381707E+00  2.773325E+01
   10.7250  3.469616E+00  2.796440E+01
   10.7750  3.281556E+00  2.818507E+01
   10.8250  3.225071E+00  2.840395E+01
   10.8750  3.099548E+00  2.861627E+01
   10.9250  3.071104E+00  2.882857E+01
   10.9750  2.924417E+00  2.903259E+01
   11.0250  2.912833E+00  2.923766E+01
   11.0750  2.960592E+00  2.944798E+01
   11.1250  2.883953E+00  2.965471E+01
   11.1750  2.657008E+00  2.984690E+01
   11.2250  2.500410E+00  3.002937E+01
   11.2750  2.494451E+00  3.021304E+01
   11.3250  2.617347E+00  3.040747E+01
   11.3750  2.551434E+00  3.059868E+01
   11.4250  2.499170E+00  3.078762E+01
   11.4750  2.450340E+00  3.097450E+01
   11.5250  2.331326E+00  3.115385E+01
   11.5750  2.582704E+00  3.135427E+01
   11.6250  2.533889E+00  3.155260E+01
   11.6750  2.637330E+00  3.176081E+01
   11.7250  2.544077E+00  3.196338E+01
   11.7750  2.529395E+00  3.216650E+01
   11.8250  2.459719E+00  3.236571E+01
   11.8750  2.532101E+00  3.257252E+01
   11.9250  2.373312E+00  3.276800E+01
   11.9750  2.331060E+00  3.296161E+01
   12.0250  2.306143E+00  3.315475E+01
   12.0750  2.251673E+00  3.334490E+01
   12.1250  2.063133E+00  3.352058E+01
   12.1750  2.000075E+00  3.369230E+01
   12.2250  1.973626E+00  3.386313E+01
   12.2750  1.925386E+00  3.403116E+01
   12.3250  1.860977E+00  3.419490E+01
   12.3750  1.822562E+00  3.435655E+01
   12.4250  1.746785E+00  3.451274E+01
   12.4750  1.737249E+00  3.466933E+01
   12.5250  1.697621E+00  3.482358E+01
   12.5750  1.604807E+00  3.497056E+01
   12.6250  1.512169E+00  3.511016E+01
   12.6750  1.470581E+00  3.524700E+01
   12.7250  1.396493E+00  3.537797E+01
   12.7750  1.417019E+00  3.551191E+01
   12.8250  1.356606E+00  3.564115E+01
   12.8750  1.370789E+00  3.577276E+01
   12.9250  1.265318E+00  3.589519E+01
   12.9750  1.250896E+00  3.601716E+01
   13.0250  1.204479E+00  3.613551E+01
   13.0750  1.064666E+00  3.624093E+01
   13.1250  1.066115E+00  3.634730E+01
   13.1750  1.002527E+00  3.644810E+01
   13.2250  9.631838E-01  3.654567E+01
   13.2750  9.495036E-01  3.664258E+01
   13.3250  9.202576E-01  3.673722E+01
   13.3750  8.087873E-01  3.682102E+01
   13.4250  8.012230E-01  3.690466E+01
   13.4750  7.999066E-01  3.698878E+01
   13.5250  6.850559E-01  3.706136E+01
   13.5750  6.221087E-01  3.712776E+01
   13.6250  6.640535E-01  3.719916E+01
   13.6750  6.264967E-01  3.726702E+01
   13.7250  5.354361E-01  3.732544E+01
   13.7750  4.700295E-01  3.737710E+01
   13.8250  4.437513E-01  3.742622E+01
   13.8750  3.527546E-01  3.746555E+01
   13.9250  3.348770E-01  3.750316E+01
   13.9750  3.703727E-01  3.754506E+01
   14.0250  3.488440E-01  3.758480E+01
   14.0750  3.003865E-01  3.761927E+01
   14.1250  2.620006E-01  3.764954E+01
   14.1750  2.300400E-01  3.767631E+01
   14.2250  2.210309E-01  3.770222E+01
   14.2750  1.874501E-01  3.772434E+01
   14.3250  1.606622E-01  3.774344E+01
   14.3750  1.219079E-01  3.775803E+01
   14.4250  1.241461E-01  3.777299E+01
   14.4750  1.040627E-01  3.778562E+01
   14.5250  7.762752E-02  3.779510E+01
   14.5750  5.542230E-02  3.780192E+01
   14.6250  6.626805E-02  3.781013E+01
   14.6750  5.604392E-02  3.781712E+01
   14.7250  4.656359E-02  3.782297E+01
   14.7750  5.069309E-02  3.782938E+01
   14.8250  3.546317E-02  3.783390E+01
   14.8750  2.972588E-02  3.783770E+01
   14.9250  1.889731E-02  3.784014E+01
   14.9750  2.221763E-02  3.784303E+01
   15.0250  1.733551E-02  3.784530E+01
   15.0750  2.018730E-02  3.784795E+01
   15.1250  1.286622E-02  3.784966E+01
   15.1750  9.282707E-03  3.785090E+01
   15.2250  8.228716E-03  3.785200E+01
   15.2750  1.000725E-02  3.785335E+01
   15.3250  1.561322E-02  3.785548E+01
   15.3750  9.321016E-03  3.785675E+01
   15.4250  2.833493E-03  3.785714E+01
   15.4750  0.000000E+00  3.785714E+01
   15.5250  0.000000E+00  3.785714E+01
   15.5750  0.000000E+00  3.785714E+01
   15.6250  0.000000E+00  3.785714E+01
   15.6750  0.000000E+00  3.785714E+01
   15.7250  0.000000E+00  3.785714E+01
   15.7750  0.000000E+00  3.785714E+01
   15.8250  0.000000E+00  3.785714E+01
   15.8750  0.000000E+00  3.785714E+01
   15.9250  0.000000E+00  3.785714E+01
   15.9750  0.000000E+00  3.785714E+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  1.550037E-02  1.904762E-05
    2.7750  6.352407E-02  1.000000E-04
    2.8250  9.374589E-02  2.238095E-04
    2.8750  2.262840E-01  5.333333E-04
    2.9250  6.592056E-01  1.466667E-03
    2.9750  1.446782E+00  3.585714E-03
    3.0250  2.216949E+00  6.942857E-03
    3.0750  3.533129E+00  1.247143E-02
    3.1250  5.283213E+00  2.100952E-02
    3.1750  5.931660E+00  3.090476E-02
    3.2250  7.362137E+00  4.357619E-02
    3.2750  9.897027E+00  6.114286E-02
    3.3250  9.747371E+00  7.897619E-02
    3.3750  8.675049E+00  9.532857E-02
    3.4250  6.495555E+00  1.079381E-01
    3.4750  6.333810E+00  1.205952E-01
    3.5250  6.567617E+00  1.341000E-01
    3.5750  8.006261E+00  1.510333E-01
    3.6250  1.202857E+01  1.771905E-01
    3.6750  1.857260E+01  2.187000E-01
    3.7250  1.639966E+01  2.563571E-01
    3.7750  8.931077E+00  2.774190E-01
    3.8250  6.191456E+00  2.924095E-01
    3.8750  7.257265E+00  3.104429E-01
    3.9250  8.050432E+00  3.309667E-01
    3.9750  1.065376E+01  3.588238E-01
    4.0250  1.213316E+01  3.913524E-01
    4.0750  1.395655E+01  4.297048E-01
    4.1250  1.523021E+01  4.725905E-01
    4.1750  1.558572E+01  5.175476E-01
    4.2250  1.496110E+01  5.617429E-01
    4.2750  1.518473E+01  6.076667E-01
    4.3250  1.564484E+01  6.560952E-01
    4.3750  1.664383E+01  7.088143E-01
    4.4250  1.857120E+01  7.689905E-01
    4.4750  1.971185E+01  8.343143E-01
    4.5250  2.009093E+01  9.023905E-01
    4.5750  1.896541E+01  9.680810E-01
    4.6250  1.764281E+01  1.030533E+00
    4.6750  1.820619E+01  1.096381E+00
    4.7250  1.713078E+01  1.159671E+00
    4.7750  1.735697E+01  1.225162E+00
    4.8250  1.832536E+01  1.295762E+00
    4.8750  1.959324E+01  1.372819E+00
    4.9250  2.003499E+01  1.453238E+00
    4.9750  1.580231E+01  1.517962E+00
    5.0250  1.284440E+01  1.571633E+00
    5.0750  1.132001E+01  1.619881E+00
    5.1250  1.089863E+01  1.667252E+00
    5.1750  1.075351E+01  1.714910E+00
    5.2250  1.142880E+01  1.766543E+00
    5.2750  1.193190E+01  1.821486E+00
    5.3250  1.271455E+01  1.881148E+00
    5.3750  1.216735E+01  1.939319E+00
    5.4250  1.323473E+01  2.003776E+00
    5.4750  1.438893E+01  2.075152E+00
    5.5250  1.533535E+01  2.152619E+00
    5.5750  1.706503E+01  2.240390E+00
    5.6250  1.692215E+01  2.328995E+00
    5.6750  1.605166E+01  2.414543E+00
    5.7250  1.500078E+01  2.495905E+00
    5.7750  1.313213E+01  2.568381E+00
    5.8250  1.157024E+01  2.633348E+00
    5.8750  1.197607E+01  2.701752E+00
    5.9250  1.134774E+01  2.767676E+00
    5.9750  1.212021E+01  2.839281E+00
    6.0250  1.298448E+01  2.917281E+00
    6.0750  1.395210E+01  3.002490E+00
    6.1250  1.278026E+01  3.081833E+00
    6.1750  1.169797E+01  3.155648E+00
    6.2250  1.093085E+01  3.225743E+00
    6.2750  9.469681E+00  3.287448E+00
    6.3250  9.875128E+00  3.352824E+00
    6.3750  9.099163E+00  3.414019E+00
    6.4250  8.870262E+00  3.474614E+00
    6.4750  7.949988E+00  3.529771E+00
    6.5250  7.685332E+00  3.583919E+00
    6.5750  7.654091E+00  3.638676E+00
    6.6250  8.155934E+00  3.697914E+00
    6.6750  8.299644E+00  3.759110E+00
    6.7250  8.526637E+00  3.822924E+00
    6.7750  9.661967E+00  3.896314E+00
    6.8250  1.007258E+01  3.973957E+00
    6.8750  1.038260E+01  4.055167E+00
    6.9250  1.056984E+01  4.139048E+00
    6.9750  1.067377E+01  4.224981E+00
    7.0250  9.574273E+00  4.303171E+00
    7.0750  9.511285E+00  4.381957E+00
    7.1250  8.900422E+00  4.456729E+00
    7.1750  8.772894E+00  4.531467E+00
    7.2250  8.625982E+00  4.605981E+00
    7.2750  8.255543E+00  4.678286E+00
    7.3250  8.010757E+00  4.749414E+00
    7.3750  7.561265E+00  4.817471E+00
    7.4250  7.160171E+00  4.882795E+00
    7.4750  6.997239E+00  4.947495E+00
    7.5250  6.365897E+00  5.007148E+00
    7.5750  6.306709E+00  5.067033E+00
    7.6250  6.688516E+00  5.131386E+00
    7.6750  6.479528E+00  5.194548E+00
    7.7250  6.978422E+00  5.263462E+00
    7.7750  6.437689E+00  5.327862E+00
    7.8250  6.641415E+00  5.395157E+00
    7.8750  6.487282E+00  5.461733E+00
    7.9250  6.287016E+00  5.527076E+00
    7.9750  6.161828E+00  5.591929E+00
    8.0250  6.517809E+00  5.661390E+00
    8.0750  6.251112E+00  5.728843E+00
    8.1250  6.392794E+00  5.798681E+00
    8.1750  6.344113E+00  5.868843E+00
    8.2250  6.375257E+00  5.940214E+00
    8.2750  6.174058E+00  6.010176E+00
    8.3250  5.793286E+00  6.076619E+00
    8.3750  6.209243E+00  6.148690E+00
    8.4250  6.600352E+00  6.226219E+00
    8.4750  6.275912E+00  6.300814E+00
    8.5250  6.175586E+00  6.375086E+00
    8.5750  5.751178E+00  6.445067E+00
    8.6250  5.767083E+00  6.516062E+00
    8.6750  5.897335E+00  6.589505E+00
    8.7250  5.583858E+00  6.659848E+00
    8.7750  6.032759E+00  6.736719E+00
    8.8250  5.970504E+00  6.813667E+00
    8.8750  6.106546E+00  6.893262E+00
    8.9250  6.138023E+00  6.974171E+00
    8.9750  6.371332E+00  7.059100E+00
    9.0250  5.935629E+00  7.139105E+00
    9.0750  5.643288E+00  7.216014E+00
    9.1250  5.682871E+00  7.294319E+00
    9.1750  5.509663E+00  7.371071E+00
    9.2250  5.802777E+00  7.452790E+00
    9.2750  5.710946E+00  7.534090E+00
    9.3250  5.694873E+00  7.616038E+00
    9.3750  5.817963E+00  7.700657E+00
    9.4250  5.635569E+00  7.783500E+00
    9.4750  5.416624E+00  7.863971E+00
    9.5250  5.318356E+00  7.943819E+00
    9.5750  4.968862E+00  8.019205E+00
    9.6250  5.099704E+00  8.097386E+00
    9.6750  4.973043E+00  8.174419E+00
    9.7250  4.700840E+00  8.247990E+00
    9.7750  4.783273E+00  8.323624E+00
    9.8250  4.530813E+00  8.396000E+00
    9.8750  4.294125E+00  8.465295E+00
    9.9250  4.423613E+00  8.537405E+00
    9.9750  4.375328E+00  8.609448E+00
   10.0250  4.197793E+00  8.679262E+00
   10.0750  4.196487E+00  8.749752E+00
   10.1250  4.281175E+00  8.822381E+00
   10.1750  4.280061E+00  8.895710E+00
   10.2250  4.028302E+00  8.965405E+00
   10.2750  3.837377E+00  9.032448E+00
   10.3250  3.553858E+00  9.095143E+00
   10.3750  3.633569E+00  9.159867E+00
   10.4250  3.478327E+00  9.222424E+00
   10.4750  3.445462E+00  9.284986E+00
   10.5250  3.043157E+00  9.340771E+00
   10.5750  3.043525E+00  9.397095E+00
   10.6250  2.982321E+00  9.452810E+00
   10.6750  2.745870E+00  9.504590E+00
   10.7250  2.612755E+00  9.554324E+00
   10.7750  2.446544E+00  9.601329E+00
   10.8250  2.207650E+00  9.644138E+00
   10.8750  2.099803E+00  9.685233E+00
   10.9250  2.072189E+00  9.726162E+00
   10.9750  2.056218E+00  9.767148E+00
   11.0250  1.935575E+00  9.806081E+00
   11.0750  2.043417E+00  9.847557E+00
   11.1250  2.041831E+00  9.889376E+00
   11.1750  1.775662E+00  9.926071E+00
   11.2250  1.858995E+00  9.964833E+00
   11.2750  2.005747E+00  1.000703E+01
   11.3250  1.844034E+00  1.004617E+01
   11.3750  1.626147E+00  1.008099E+01
   11.4250  1.677640E+00  1.011722E+01
   11.4750  1.610385E+00  1.015231E+01
   11.5250  1.477938E+00  1.018480E+01
   11.5750  1.433840E+00  1.021659E+01
   11.6250  1.374475E+00  1.024733E+01
   11.6750  1.228038E+00  1.027503E+01
   11.7250  1.229308E+00  1.030300E+01
   11.7750  1.099969E+00  1.032823E+01
   11.8250  9.172059E-01  1.034946E+01
   11.8750  8.972547E-01  1.037040E+01
   11.9250  8.425980E-01  1.039022E+01
   11.9750  7.994564E-01  1.040920E+01
   12.0250  8.505324E-01  1.042955E+01
   12.0750  7.002222E-01  1.044644E+01
   12.1250  6.834980E-01  1.046307E+01
   12.1750  6.980849E-01  1.048020E+01
   12.2250  6.403996E-01  1.049603E+01
   12.2750  5.175506E-01  1.050894E+01
   12.3250  4.807777E-01  1.052102E+01
   12.3750  4.068123E-01  1.053133E+01
   12.4250  4.514482E-01  1.054287E+01
   12.4750  4.088219E-01  1.055340E+01
   12.5250  4.073987E-01  1.056397E+01
   12.5750  3.392005E-01  1.057285E+01
   12.6250  3.150353E-01  1.058116E+01
   12.6750  2.844338E-01  1.058872E+01
   12.7250  2.354653E-01  1.059503E+01
   12.7750  1.964219E-01  1.060033E+01
   12.8250  1.649770E-01  1.060482E+01
   12.8750  1.376592E-01  1.060860E+01
   12.9250  1.679462E-01  1.061324E+01
   12.9750  1.387931E-01  1.061711E+01
   13.0250  1.562179E-01  1.062150E+01
   13.0750  1.413912E-01  1.062550E+01
   13.1250  1.055711E-01  1.062850E+01
   13.1750  1.036109E-01  1.063148E+01
   13.2250  7.436588E-02  1.063363E+01
   13.2750  6.939793E-02  1.063566E+01
   13.3250  7.617107E-02  1.063790E+01
   13.3750  4.938299E-02  1.063936E+01
   13.4250  5.300735E-02  1.064094E+01
   13.4750  2.678279E-02  1.064174E+01
   13.5250  1.101159E-02  1.064208E+01
   13.5750  1.811361E-02  1.064263E+01
   13.6250  5.735290E-03  1.064280E+01
   13.6750  1.692640E-03  1.064286E+01
   13.7250  0.000000E+00  1.064286E+01
   13.7750  0.000000E+00  1.064286E+01
   13.8250  0.000000E+00  1.064286E+01
   13.8750  0.000000E+00  1.064286E+01
   13.9250  0.000000E+00  1.064286E+01
   13.9750  0.000000E+00  1.064286E+01
   14.0250  0.000000E+00  1.064286E+01
   14.0750  0.000000E+00  1.064286E+01
   14.1250  0.000000E+00  1.064286E+01
   14.1750  0.000000E+00  1.064286E+01
   14.2250  0.000000E+00  1.064286E+01
   14.2750  0.000000E+00  1.064286E+01
   14.3250  0.000000E+00  1.064286E+01
   14.3750  0.000000E+00  1.064286E+01
   14.4250  0.000000E+00  1.064286E+01
   14.4750  0.000000E+00  1.064286E+01
   14.5250  0.000000E+00  1.064286E+01
   14.5750  0.000000E+00  1.064286E+01
   14.6250  0.000000E+00  1.064286E+01
   14.6750  0.000000E+00  1.064286E+01
   14.7250  0.000000E+00  1.064286E+01
   14.7750  0.000000E+00  1.064286E+01
   14.8250  0.000000E+00  1.064286E+01
   14.8750  0.000000E+00  1.064286E+01
   14.9250  0.000000E+00  1.064286E+01
   14.9750  0.000000E+00  1.064286E+01
   15.0250  0.000000E+00  1.064286E+01
   15.0750  0.000000E+00  1.064286E+01
   15.1250  0.000000E+00  1.064286E+01
   15.1750  0.000000E+00  1.064286E+01
   15.2250  0.000000E+00  1.064286E+01
   15.2750  0.000000E+00  1.064286E+01
   15.3250  0.000000E+00  1.064286E+01
   15.3750  0.000000E+00  1.064286E+01
   15.4250  0.000000E+00  1.064286E+01
   15.4750  0.000000E+00  1.064286E+01
   15.5250  0.000000E+00  1.064286E+01
   15.5750  0.000000E+00  1.064286E+01
   15.6250  0.000000E+00  1.064286E+01
   15.6750  0.000000E+00  1.064286E+01
   15.7250  0.000000E+00  1.064286E+01
   15.7750  0.000000E+00  1.064286E+01
   15.8250  0.000000E+00  1.064286E+01
   15.8750  0.000000E+00  1.064286E+01
   15.9250  0.000000E+00  1.064286E+01
   15.9750  0.000000E+00  1.064286E+01

g(r)  :CT      H       

        r      g(r)         n(r)

    2.1250  0.000000E+00  0.000000E+00
    2.1750  0.000000E+00  0.000000E+00
    2.2250  1.627447E-01  6.666667E-05
    2.2750  6.893956E-01  3.619048E-04
    2.3250  1.447883E+00  1.009524E-03
    2.3750  3.448503E+00  2.619048E-03
    2.4250  5.861990E+00  5.471429E-03
    2.4750  8.323877E+00  9.690476E-03
    2.5250  1.287181E+01  1.648095E-02
    2.5750  1.704631E+01  2.583333E-02
    2.6250  1.833242E+01  3.628571E-02
    2.6750  1.847387E+01  4.722381E-02
    2.7250  2.085574E+01  6.003810E-02
    2.7750  1.946079E+01  7.243810E-02
    2.8250  1.788383E+01  8.424762E-02
    2.8750  1.664754E+01  9.563333E-02
    2.9250  1.401821E+01  1.055571E-01
    2.9750  1.333640E+01  1.153238E-01
    3.0250  1.162876E+01  1.241286E-01
    3.0750  1.087632E+01  1.326381E-01
    3.1250  1.127360E+01  1.417476E-01
    3.1750  1.075577E+01  1.507190E-01
    3.2250  1.216233E+01  1.611857E-01
    3.2750  1.581807E+01  1.752238E-01
    3.3250  1.758951E+01  1.913143E-01
    3.3750  1.999253E+01  2.101571E-01
    3.4250  2.058070E+01  2.301333E-01
    3.4750  2.171796E+01  2.518333E-01
    3.5250  2.049022E+01  2.729000E-01
    3.5750  2.002466E+01  2.940762E-01
    3.6250  1.772423E+01  3.133476E-01
    3.6750  1.690007E+01  3.322333E-01
    3.7250  1.540423E+01  3.499190E-01
    3.7750  1.352887E+01  3.658714E-01
    3.8250  1.388161E+01  3.826762E-01
    3.8750  1.640790E+01  4.030619E-01
    3.9250  2.259725E+01  4.318667E-01
    3.9750  2.782362E+01  4.682429E-01
    4.0250  3.046524E+01  5.090810E-01
    4.0750  2.663424E+01  5.456762E-01
    4.1250  2.227879E+01  5.770429E-01
    4.1750  1.787216E+01  6.028190E-01
    4.2250  1.637161E+01  6.270000E-01
    4.2750  1.640027E+01  6.518000E-01
    4.3250  1.557407E+01  6.759048E-01
    4.3750  1.533740E+01  7.001952E-01
    4.4250  1.457539E+01  7.238095E-01
    4.4750  1.313644E+01  7.455762E-01
    4.5250  1.319065E+01  7.679238E-01
    4.5750  1.346208E+01  7.912381E-01
    4.6250  1.475189E+01  8.173476E-01
    4.6750  1.510424E+01  8.446619E-01
    4.7250  1.503116E+01  8.724286E-01
    4.7750  1.456910E+01  8.999143E-01
    4.8250  1.382622E+01  9.265476E-01
    4.8750  1.347626E+01  9.530476E-01
    4.9250  1.469881E+01  9.825476E-01
    4.9750  1.571163E+01  1.014724E+00
    5.0250  1.483756E+01  1.045724E+00
    5.0750  1.448854E+01  1.076600E+00
    5.1250  1.374927E+01  1.106481E+00
    5.1750  1.352785E+01  1.136457E+00
    5.2250  1.382882E+01  1.167695E+00
    5.2750  1.465789E+01  1.201443E+00
    5.3250  1.528913E+01  1.237314E+00
    5.3750  1.617334E+01  1.275976E+00
    5.4250  1.591765E+01  1.314738E+00
    5.4750  1.600263E+01  1.354429E+00
    5.5250  1.557291E+01  1.393762E+00
    5.5750  1.577626E+01  1.434333E+00
    5.6250  1.487316E+01  1.473271E+00
    5.6750  1.494997E+01  1.513110E+00
    5.7250  1.448278E+01  1.552386E+00
    5.7750  1.421065E+01  1.591600E+00
    5.8250  1.415771E+01  1.631348E+00
    5.8750  1.355926E+01  1.670071E+00
    5.9250  1.318220E+01  1.708362E+00
    5.9750  1.340582E+01  1.747962E+00
    6.0250  1.402133E+01  1.790076E+00
    6.0750  1.460238E+01  1.834667E+00
    6.1250  1.513504E+01  1.881648E+00
    6.1750  1.418910E+01  1.926414E+00
    6.2250  1.387000E+01  1.970886E+00
    6.2750  1.295266E+01  2.013086E+00
    6.3250  1.210708E+01  2.053162E+00
    6.3750  1.209209E+01  2.093824E+00
    6.4250  1.142783E+01  2.132857E+00
    6.4750  1.127947E+01  2.171986E+00
    6.5250  1.130057E+01  2.211795E+00
    6.5750  1.179365E+01  2.253981E+00
    6.6250  1.231389E+01  2.298700E+00
    6.6750  1.191181E+01  2.342614E+00
    6.7250  1.136885E+01  2.385157E+00
    6.7750  1.114900E+01  2.427500E+00
    6.8250  1.069219E+01  2.468710E+00
    6.8750  9.813973E+00  2.507090E+00
    6.9250  9.448349E+00  2.544581E+00
    6.9750  9.126469E+00  2.581319E+00
    7.0250  8.458246E+00  2.615857E+00
    7.0750  8.026387E+00  2.649100E+00
    7.1250  7.608041E+00  2.681057E+00
    7.1750  7.525852E+00  2.713114E+00
    7.2250  6.869695E+00  2.742786E+00
    7.2750  6.122063E+00  2.769595E+00
    7.3250  6.584728E+00  2.798829E+00
    7.3750  6.608964E+00  2.828571E+00
    7.4250  6.435698E+00  2.857929E+00
    7.4750  6.351950E+00  2.887295E+00
    7.5250  6.171266E+00  2.916210E+00
    7.5750  6.374912E+00  2.946476E+00
    7.6250  6.034216E+00  2.975505E+00
    7.6750  6.303666E+00  3.006229E+00
    7.7250  5.625364E+00  3.034005E+00
    7.7750  5.498979E+00  3.061510E+00
    7.8250  5.241886E+00  3.088067E+00
    7.8750  5.122638E+00  3.114352E+00
    7.9250  5.333105E+00  3.142067E+00
    7.9750  5.344262E+00  3.170190E+00
    8.0250  5.283237E+00  3.198343E+00
    8.0750  5.193299E+00  3.226362E+00
    8.1250  5.554138E+00  3.256700E+00
    8.1750  5.719777E+00  3.288329E+00
    8.2250  5.557720E+00  3.319438E+00
    8.2750  5.639522E+00  3.351390E+00
    8.3250  5.670802E+00  3.383910E+00
    8.3750  5.661549E+00  3.416767E+00
    8.4250  5.609955E+00  3.449714E+00
    8.4750  5.542354E+00  3.482652E+00
    8.5250  5.417348E+00  3.515229E+00
    8.5750  5.815358E+00  3.550610E+00
    8.6250  5.645235E+00  3.585357E+00
    8.6750  5.796771E+00  3.621452E+00
    8.7250  5.727499E+00  3.657529E+00
    8.7750  5.983803E+00  3.695652E+00
    8.8250  6.429035E+00  3.737081E+00
    8.8750  6.102528E+00  3.776852E+00
    8.9250  6.093589E+00  3.817014E+00
    8.9750  6.333822E+00  3.859229E+00
    9.0250  5.781241E+00  3.898190E+00
    9.0750  5.818341E+00  3.937838E+00
    9.1250  5.825945E+00  3.977976E+00
    9.1750  5.917812E+00  4.019195E+00
    9.2250  5.721286E+00  4.059481E+00
    9.2750  5.647057E+00  4.099676E+00
    9.3250  5.546950E+00  4.139586E+00
    9.3750  5.387100E+00  4.178762E+00
    9.4250  5.362488E+00  4.218176E+00
    9.4750  5.237448E+00  4.257081E+00
    9.5250  4.914912E+00  4.293976E+00
    9.5750  4.910796E+00  4.331229E+00
    9.6250  4.869847E+00  4.368557E+00
    9.6750  4.810421E+00  4.405814E+00
    9.7250  4.597999E+00  4.441795E+00
    9.7750  4.588425E+00  4.478071E+00
    9.8250  4.526341E+00  4.514224E+00
    9.8750  4.481211E+00  4.550381E+00
    9.9250  4.581651E+00  4.587724E+00
    9.9750  4.144835E+00  4.621848E+00
   10.0250  4.196934E+00  4.656748E+00
   10.0750  3.904210E+00  4.689538E+00
   10.1250  3.873604E+00  4.722395E+00
   10.1750  3.761139E+00  4.754614E+00
   10.2250  3.787749E+00  4.787381E+00
   10.2750  3.553641E+00  4.818424E+00
   10.3250  3.491774E+00  4.849224E+00
   10.3750  3.244869E+00  4.878124E+00
   10.4250  3.216466E+00  4.907048E+00
   10.4750  3.121319E+00  4.935386E+00
   10.5250  2.962370E+00  4.962538E+00
   10.5750  3.103737E+00  4.991257E+00
   10.6250  3.136789E+00  5.020557E+00
   10.6750  3.133231E+00  5.050100E+00
   10.7250  2.982503E+00  5.078486E+00
   10.7750  2.806672E+00  5.105448E+00
   10.8250  2.723833E+00  5.131857E+00
   10.8750  2.589839E+00  5.157200E+00
   10.9250  2.470233E+00  5.181595E+00
   10.9750  2.409552E+00  5.205610E+00
   11.0250  2.209245E+00  5.227829E+00
   11.0750  2.107230E+00  5.249214E+00
   11.1250  2.001376E+00  5.269710E+00
   11.1750  1.954012E+00  5.289900E+00
   11.2250  1.897819E+00  5.309686E+00
   11.2750  1.816286E+00  5.328790E+00
   11.3250  1.695731E+00  5.346786E+00
   11.3750  1.671071E+00  5.364676E+00
   11.4250  1.442638E+00  5.380257E+00
   11.4750  1.380704E+00  5.395300E+00
   11.5250  1.423344E+00  5.410943E+00
   11.5750  1.274907E+00  5.425076E+00
   11.6250  1.113633E+00  5.437529E+00
   11.6750  1.018404E+00  5.449014E+00
   11.7250  8.912641E-01  5.459152E+00
   11.7750  7.708086E-01  5.467995E+00
   11.8250  6.708753E-01  5.475757E+00
   11.8750  6.693189E-01  5.483567E+00
   11.9250  6.374121E-01  5.491067E+00
   11.9750  6.321003E-01  5.498567E+00
   12.0250  6.113326E-01  5.505881E+00
   12.0750  5.904917E-01  5.513005E+00
   12.1250  4.842423E-01  5.518895E+00
   12.1750  4.332941E-01  5.524210E+00
   12.2250  3.800808E-01  5.528910E+00
   12.2750  3.548373E-01  5.533333E+00
   12.3250  3.273380E-01  5.537448E+00
   12.3750  2.942577E-01  5.541176E+00
   12.4250  2.971133E-01  5.544971E+00
   12.4750  2.340880E-01  5.547986E+00
   12.5250  2.219507E-01  5.550867E+00
   12.5750  1.757874E-01  5.553167E+00
   12.6250  1.538167E-01  5.555195E+00
   12.6750  1.085434E-01  5.556638E+00
   12.7250  7.286095E-02  5.557614E+00
   12.7750  7.158645E-02  5.558581E+00
   12.8250  7.872712E-02  5.559652E+00
   12.8750  1.253341E-01  5.561371E+00
   12.9250  1.240218E-01  5.563086E+00
   12.9750  1.326397E-01  5.564933E+00
   13.0250  1.055022E-01  5.566414E+00
   13.0750  6.968568E-02  5.567400E+00
   13.1250  6.648307E-02  5.568348E+00
   13.1750  6.100609E-02  5.569224E+00
   13.2250  3.520862E-02  5.569733E+00
   13.2750  4.245520E-02  5.570352E+00
   13.3250  3.565454E-02  5.570876E+00
   13.3750  2.026794E-02  5.571176E+00
   13.4250  1.245354E-02  5.571362E+00
   13.4750  4.437385E-03  5.571429E+00
   13.5250  0.000000E+00  5.571429E+00
   13.5750  0.000000E+00  5.571429E+00
   13.6250  0.000000E+00  5.571429E+00
   13.6750  0.000000E+00  5.571429E+00
   13.7250  0.000000E+00  5.571429E+00
   13.7750  0.000000E+00  5.571429E+00
   13.8250  0.000000E+00  5.571429E+00
   13.8750  0.000000E+00  5.571429E+00
   13.9250  0.000000E+00  5.571429E+00
   13.9750  0.000000E+00  5.571429E+00
   14.0250  0.000000E+00  5.571429E+00
   14.0750  0.000000E+00  5.571429E+00
   14.1250  0.000000E+00  5.571429E+00
   14.1750  0.000000E+00  5.571429E+00
   14.2250  0.000000E+00  5.571429E+00
   14.2750  0.000000E+00  5.571429E+00
   14.3250  0.000000E+00  5.571429E+00
   14.3750  0.000000E+00  5.571429E+00
   14.4250  0.000000E+00  5.571429E+00
   14.4750  0.000000E+00  5.571429E+00
   14.5250  0.000000E+00  5.571429E+00
   14.5750  0.000000E+00  5.571429E+00
   14.6250  0.000000E+00  5.571429E+00
   14.6750  0.000000E+00  5.571429E+00
   14.7250  0.000000E+00  5.571429E+00
   14.7750  0.000000E+00  5.571429E+00
   14.8250  0.000000E+00  5.571429E+00
   14.8750  0.000000E+00  5.571429E+00
   14.9250  0.000000E+00  5.571429E+00
   14.9750  0.000000E+00  5.571429E+00
   15.0250  0.000000E+00  5.571429E+00
   15.0750  0.000000E+00  5.571429E+00
   15.1250  0.000000E+00  5.571429E+00
   15.1750  0.000000E+00  5.571429E+00
   15.2250  0.000000E+00  5.571429E+00
   15.2750  0.000000E+00  5.571429E+00
   15.3250  0.000000E+00  5.571429E+00
   15.3750  0.000000E+00  5.571429E+00
   15.4250  0.000000E+00  5.571429E+00
   15.4750  0.000000E+00  5.571429E+00
   15.5250  0.000000E+00  5.571429E+00
   15.5750  0.000000E+00  5.571429E+00
   15.6250  0.000000E+00  5.571429E+00
   15.6750  0.000000E+00  5.571429E+00
   15.7250  0.000000E+00  5.571429E+00
   15.7750  0.000000E+00  5.571429E+00
   15.8250  0.000000E+00  5.571429E+00
   15.8750  0.000000E+00  5.571429E+00
   15.9250  0.000000E+00  5.571429E+00
   15.9750  0.000000E+00  5.571429E+00

g(r)  :CT      HC      

        r      g(r)         n(r)

    2.5750  0.000000E+00  0.000000E+00
    2.6250  0.000000E+00  0.000000E+00
    2.6750  2.527677E-02  2.095238E-04
    2.7250  3.321507E-02  4.952381E-04
    2.7750  7.420039E-02  1.157143E-03
    2.8250  1.498904E-01  2.542857E-03
    2.8750  2.382199E-01  4.823810E-03
    2.9250  3.151887E-01  7.947619E-03
    2.9750  5.852150E-01  1.394762E-02
    3.0250  7.003491E-01  2.137143E-02
    3.0750  1.032507E+00  3.268095E-02
    3.1250  1.250612E+00  4.682857E-02
    3.1750  1.463545E+00  6.391905E-02
    3.2250  1.784904E+00  8.542381E-02
    3.2750  1.992590E+00  1.101810E-01
    3.3250  2.227227E+00  1.387048E-01
    3.3750  2.447910E+00  1.710048E-01
    3.4250  2.693398E+00  2.076048E-01
    3.4750  2.822743E+00  2.470905E-01
    3.5250  3.002273E+00  2.903048E-01
    3.5750  3.181984E+00  3.374143E-01
    3.6250  3.487411E+00  3.905000E-01
    3.6750  4.010129E+00  4.532381E-01
    3.7250  4.637622E+00  5.277810E-01
    3.7750  5.059338E+00  6.113000E-01
    3.8250  5.844739E+00  7.103571E-01
    3.8750  6.638554E+00  8.258286E-01
    3.9250  7.356126E+00  9.571048E-01
    3.9750  8.438196E+00  1.111552E+00
    4.0250  8.995649E+00  1.280371E+00
    4.0750  9.096340E+00  1.455348E+00
    4.1250  8.590396E+00  1.624671E+00
    4.1750  8.037542E+00  1.786962E+00
    4.2250  7.644858E+00  1.945043E+00
    4.2750  7.699884E+00  2.108052E+00
    4.3250  8.136678E+00  2.284362E+00
    4.3750  8.626345E+00  2.475629E+00
    4.4250  8.956517E+00  2.678781E+00
    4.4750  9.216489E+00  2.892581E+00
    4.5250  9.424099E+00  3.116110E+00
    4.5750  9.593771E+00  3.348719E+00
    4.6250  9.709358E+00  3.589305E+00
    4.6750  9.742220E+00  3.835952E+00
    4.7250  9.671911E+00  4.086086E+00
    4.7750  9.862917E+00  4.346586E+00
    4.8250  1.019176E+01  4.621438E+00
    4.8750  1.024704E+01  4.903538E+00
    4.9250  1.037357E+01  5.195010E+00
    4.9750  1.044713E+01  5.494538E+00
    5.0250  1.023603E+01  5.793943E+00
    5.0750  9.938444E+00  6.090457E+00
    5.1250  9.377206E+00  6.375767E+00
    5.1750  8.909071E+00  6.652148E+00
    5.2250  8.703693E+00  6.927400E+00
    5.2750  8.514363E+00  7.201843E+00
    5.3250  8.290562E+00  7.474162E+00
    5.3750  8.283879E+00  7.751395E+00
    5.4250  8.166386E+00  8.029805E+00
    5.4750  8.408068E+00  8.321762E+00
    5.5250  8.576949E+00  8.625048E+00
    5.5750  8.990405E+00  8.948733E+00
    5.6250  9.115166E+00  9.282824E+00
    5.6750  9.325545E+00  9.630729E+00
    5.7250  9.181552E+00  9.979324E+00
    5.7750  9.188422E+00  1.033430E+01
    5.8250  9.008582E+00  1.068838E+01
    5.8750  8.646878E+00  1.103410E+01
    5.9250  8.645235E+00  1.138567E+01
    5.9750  8.557573E+00  1.173957E+01
    6.0250  8.441155E+00  1.209452E+01
    6.0750  8.394673E+00  1.245340E+01
    6.1250  8.585371E+00  1.282650E+01
    6.1750  8.778087E+00  1.321423E+01
    6.2250  8.961726E+00  1.361651E+01
    6.2750  9.125371E+00  1.403274E+01
    6.3250  9.310177E+00  1.446419E+01
    6.3750  9.606330E+00  1.491643E+01
    6.4250  9.671200E+00  1.537890E+01
    6.4750  9.333473E+00  1.583219E+01
    6.5250  9.086993E+00  1.628035E+01
    6.5750  8.532724E+00  1.670765E+01
    6.6250  8.164363E+00  1.712275E+01
    6.6750  7.952000E+00  1.753317E+01
    6.7250  7.927817E+00  1.794850E+01
    6.7750  8.020174E+00  1.837494E+01
    6.8250  8.254423E+00  1.882033E+01
    6.8750  8.421196E+00  1.928141E+01
    6.9250  8.119673E+00  1.973247E+01
    6.9750  7.911578E+00  2.017833E+01
    7.0250  7.664333E+00  2.061648E+01
    7.0750  7.422687E+00  2.104688E+01
    7.1250  7.312478E+00  2.147690E+01
    7.1750  7.147675E+00  2.190314E+01
    7.2250  7.047828E+00  2.232931E+01
    7.2750  7.006974E+00  2.275890E+01
    7.3250  6.947652E+00  2.319072E+01
    7.3750  6.964187E+00  2.362950E+01
    7.4250  7.048696E+00  2.407965E+01
    7.4750  6.943312E+00  2.452906E+01
    7.5250  6.995307E+00  2.498791E+01
    7.5750  6.923396E+00  2.544810E+01
    7.6250  6.894620E+00  2.591245E+01
    7.6750  6.834391E+00  2.637880E+01
    7.7250  6.755920E+00  2.684582E+01
    7.7750  6.662642E+00  2.731237E+01
    7.8250  6.519159E+00  2.777477E+01
    7.8750  6.455597E+00  2.823852E+01
    7.9250  6.367261E+00  2.870176E+01
    7.9750  6.277136E+00  2.916422E+01
    8.0250  6.057198E+00  2.961610E+01
    8.0750  5.980465E+00  3.006782E+01
    8.1250  5.889650E+00  3.051821E+01
    8.1750  5.830251E+00  3.096956E+01
    8.2250  5.744148E+00  3.141970E+01
    8.2750  5.608545E+00  3.186458E+01
    8.3250  5.479513E+00  3.230449E+01
    8.3750  5.362824E+00  3.274022E+01
    8.4250  5.305903E+00  3.317649E+01
    8.4750  5.246858E+00  3.361303E+01
    8.5250  5.193977E+00  3.405030E+01
    8.5750  5.166455E+00  3.449036E+01
    8.6250  5.233715E+00  3.494136E+01
    8.6750  5.344479E+00  3.540727E+01
    8.7250  5.277622E+00  3.587266E+01
    8.7750  5.249628E+00  3.634091E+01
    8.8250  5.154735E+00  3.680595E+01
    8.8750  5.066755E+00  3.726824E+01
    8.9250  5.064848E+00  3.773559E+01
    8.9750  5.026128E+00  3.820457E+01
    9.0250  4.844265E+00  3.866163E+01
    9.0750  4.805308E+00  3.912005E+01
    9.1250  4.685352E+00  3.957197E+01
    9.1750  4.622509E+00  4.002273E+01
    9.2250  4.419264E+00  4.045838E+01
    9.2750  4.376189E+00  4.089447E+01
    9.3250  4.313974E+00  4.132900E+01
    9.3750  4.192311E+00  4.175583E+01
    9.4250  4.160998E+00  4.218400E+01
    9.4750  4.175397E+00  4.261821E+01
    9.5250  4.154105E+00  4.305479E+01
    9.5750  4.118725E+00  4.349220E+01
    9.6250  4.024216E+00  4.392406E+01
    9.6750  3.948826E+00  4.435223E+01
    9.7250  3.902675E+00  4.477979E+01
    9.7750  3.841212E+00  4.520495E+01
    9.8250  3.743702E+00  4.562357E+01
    9.8750  3.708248E+00  4.604246E+01
    9.9250  3.603958E+00  4.645370E+01
    9.9750  3.544411E+00  4.686222E+01
   10.0250  3.508367E+00  4.727066E+01
   10.0750  3.447509E+00  4.767603E+01
   10.1250  3.397384E+00  4.807948E+01
   10.1750  3.358597E+00  4.848227E+01
   10.2250  3.316669E+00  4.888395E+01
   10.2750  3.316241E+00  4.928951E+01
   10.3250  3.234148E+00  4.968890E+01
   10.3750  3.204120E+00  5.008842E+01
   10.4250  3.154849E+00  5.048560E+01
   10.4750  3.186133E+00  5.089057E+01
   10.5250  3.121570E+00  5.129113E+01
   10.5750  3.093959E+00  5.169193E+01
   10.6250  3.013892E+00  5.208606E+01
   10.6750  3.027354E+00  5.248568E+01
   10.7250  2.999300E+00  5.288532E+01
   10.7750  2.966501E+00  5.328428E+01
   10.8250  2.965085E+00  5.368676E+01
   10.8750  2.949249E+00  5.409080E+01
   10.9250  2.917321E+00  5.449415E+01
   10.9750  2.872132E+00  5.489489E+01
   11.0250  2.836062E+00  5.529421E+01
   11.0750  2.786649E+00  5.569015E+01
   11.1250  2.827156E+00  5.609547E+01
   11.1750  2.797239E+00  5.650012E+01
   11.2250  2.714432E+00  5.689631E+01
   11.2750  2.759223E+00  5.730263E+01
   11.3250  2.780138E+00  5.771568E+01
   11.3750  2.744377E+00  5.812701E+01
   11.4250  2.710268E+00  5.853682E+01
   11.4750  2.621858E+00  5.893673E+01
   11.5250  2.574275E+00  5.933282E+01
   11.5750  2.506858E+00  5.972189E+01
   11.6250  2.507637E+00  6.011444E+01
   11.6750  2.506924E+00  6.051027E+01
   11.7250  2.515789E+00  6.091091E+01
   11.7750  2.521805E+00  6.131594E+01
   11.8250  2.486560E+00  6.171870E+01
   11.8750  2.454791E+00  6.211970E+01
   11.9250  2.440522E+00  6.252172E+01
   11.9750  2.393811E+00  6.291936E+01
   12.0250  2.362688E+00  6.331512E+01
   12.0750  2.318069E+00  6.370664E+01
   12.1250  2.270805E+00  6.409336E+01
   12.1750  2.225985E+00  6.447558E+01
   12.2250  2.176181E+00  6.485232E+01
   12.2750  2.127578E+00  6.522367E+01
   12.3250  2.077146E+00  6.558917E+01
   12.3750  2.040289E+00  6.595111E+01
   12.4250  2.003398E+00  6.630938E+01
   12.4750  1.902394E+00  6.665233E+01
   12.5250  1.880921E+00  6.699414E+01
   12.5750  1.853099E+00  6.733358E+01
   12.6250  1.813458E+00  6.766841E+01
   12.6750  1.754119E+00  6.799485E+01
   12.7250  1.703322E+00  6.831435E+01
   12.7750  1.665884E+00  6.862928E+01
   12.8250  1.623803E+00  6.893867E+01
   12.8750  1.576150E+00  6.924132E+01
   12.9250  1.546114E+00  6.954051E+01
   12.9750  1.504015E+00  6.983382E+01
   13.0250  1.455417E+00  7.011984E+01
   13.0750  1.432187E+00  7.040346E+01
   13.1250  1.394522E+00  7.068173E+01
   13.1750  1.376095E+00  7.095843E+01
   13.2250  1.355908E+00  7.123314E+01
   13.2750  1.315575E+00  7.150170E+01
   13.3250  1.261129E+00  7.176108E+01
   13.3750  1.225682E+00  7.201507E+01
   13.4250  1.197592E+00  7.226510E+01
   13.4750  1.167598E+00  7.251069E+01
   13.5250  1.128958E+00  7.274991E+01
   13.5750  1.098015E+00  7.298430E+01
   13.6250  1.042383E+00  7.320846E+01
   13.6750  9.975147E-01  7.342454E+01
   13.7250  9.450657E-01  7.363077E+01
   13.7750  9.098372E-01  7.383075E+01
   13.8250  8.464656E-01  7.401816E+01
   13.8750  7.922245E-01  7.419483E+01
   13.9250  7.502933E-01  7.436336E+01
   13.9750  7.180338E-01  7.452580E+01
   14.0250  6.824945E-01  7.468131E+01
   14.0750  6.350946E-01  7.482706E+01
   14.1250  6.052634E-01  7.496694E+01
   14.1750  5.830585E-01  7.510265E+01
   14.2250  5.448574E-01  7.523037E+01
   14.2750  4.987842E-01  7.534810E+01
   14.3250  4.753158E-01  7.546109E+01
   14.3750  4.431892E-01  7.556718E+01
   14.4250  4.108834E-01  7.566621E+01
   14.4750  3.654751E-01  7.575492E+01
   14.5250  3.456412E-01  7.583939E+01
   14.5750  3.236902E-01  7.591904E+01
   14.6250  2.857713E-01  7.598985E+01
   14.6750  2.510332E-01  7.605247E+01
   14.7250  2.210822E-01  7.610800E+01
   14.7750  2.227709E-01  7.616433E+01
   14.8250  1.968618E-01  7.621445E+01
   14.8750  1.778351E-01  7.626003E+01
   14.9250  1.497759E-01  7.629868E+01
   14.9750  1.377419E-01  7.633446E+01
   15.0250  1.246991E-01  7.636707E+01
   15.0750  1.169272E-01  7.639785E+01
   15.1250  1.017438E-01  7.642481E+01
   15.1750  8.411561E-02  7.644725E+01
   15.2250  6.911058E-02  7.646581E+01
   15.2750  5.997301E-02  7.648202E+01
   15.3250  4.771485E-02  7.649500E+01
   15.3750  4.514432E-02  7.650736E+01
   15.4250  4.283067E-02  7.651917E+01
   15.4750  3.129350E-02  7.652785E+01
   15.5250  2.745942E-02  7.653551E+01
   15.5750  2.023378E-02  7.654120E+01
   15.6250  1.538987E-02  7.654555E+01
   15.6750  1.694818E-02  7.655038E+01
   15.7250  1.145425E-02  7.655366E+01
   15.7750  1.063839E-02  7.655672E+01
   15.8250  9.044674E-03  7.655935E+01
   15.8750  7.617600E-03  7.656157E+01
   15.9250  7.342908E-03  7.656373E+01
   15.9750  4.816352E-03  7.656515E+01

g(r)  :CT      N       

        r      g(r)         n(r)

    2.7750  0.000000E+00  0.000000E+00
    2.8250  0.000000E+00  0.000000E+00
    2.8750  6.962585E-02  4.761905E-05
    2.9250  5.314004E-01  4.238095E-04
    2.9750  4.746744E-01  7.714286E-04
    3.0250  9.622500E-01  1.500000E-03
    3.0750  1.710266E+00  2.838095E-03
    3.1250  2.162788E+00  4.585714E-03
    3.1750  2.614726E+00  6.766667E-03
    3.2250  2.312945E+00  8.757143E-03
    3.2750  3.621845E+00  1.197143E-02
    3.3250  5.174305E+00  1.670476E-02
    3.3750  3.673128E+00  2.016667E-02
    3.4250  4.871666E+00  2.489524E-02
    3.4750  4.198710E+00  2.909048E-02
    3.5250  4.270341E+00  3.348095E-02
    3.5750  3.741959E+00  3.743810E-02
    3.6250  2.763526E+00  4.044286E-02
    3.6750  2.377771E+00  4.310000E-02
    3.7250  2.359991E+00  4.580952E-02
    3.7750  2.532121E+00  4.879524E-02
    3.8250  2.678768E+00  5.203810E-02
    3.8750  2.878377E+00  5.561429E-02
    3.9250  2.895167E+00  5.930476E-02
    3.9750  3.285365E+00  6.360000E-02
    4.0250  4.714012E+00  6.991905E-02
    4.0750  7.635034E+00  8.040952E-02
    4.1250  8.455590E+00  9.231429E-02
    4.1750  1.171777E+01  1.092143E-01
    4.2250  1.468222E+01  1.309000E-01
    4.2750  1.384953E+01  1.518429E-01
    4.3250  1.481106E+01  1.747667E-01
    4.3750  1.635067E+01  2.006619E-01
    4.4250  1.623896E+01  2.269714E-01
    4.4750  1.440956E+01  2.508476E-01
    4.5250  1.495296E+01  2.761810E-01
    4.5750  1.470215E+01  3.016429E-01
    4.6250  1.554289E+01  3.291524E-01
    4.6750  1.826149E+01  3.621762E-01
    4.7250  1.623242E+01  3.921619E-01
    4.7750  1.385478E+01  4.183000E-01
    4.8250  1.358890E+01  4.444762E-01
    4.8750  1.411072E+01  4.722238E-01
    4.9250  1.393955E+01  5.002000E-01
    4.9750  1.400491E+01  5.288810E-01
    5.0250  1.314639E+01  5.563476E-01
    5.0750  1.339586E+01  5.848952E-01
    5.1250  1.347319E+01  6.141762E-01
    5.1750  1.429504E+01  6.458524E-01
    5.2250  1.501144E+01  6.797619E-01
    5.2750  1.473441E+01  7.136857E-01
    5.3250  1.619637E+01  7.516857E-01
    5.3750  1.715541E+01  7.926952E-01
    5.4250  1.720436E+01  8.345905E-01
    5.4750  1.804160E+01  8.793381E-01
    5.5250  1.696240E+01  9.221810E-01
    5.5750  1.675024E+01  9.652571E-01
    5.6250  1.604453E+01  1.007262E+00
    5.6750  1.540030E+01  1.048300E+00
    5.7250  1.595424E+01  1.091567E+00
    5.7750  1.768437E+01  1.140367E+00
    5.8250  1.630164E+01  1.186133E+00
    5.8750  1.810125E+01  1.237829E+00
    5.9250  1.809704E+01  1.290395E+00
    5.9750  1.709903E+01  1.340905E+00
    6.0250  1.530710E+01  1.386881E+00
    6.0750  1.449478E+01  1.431143E+00
    6.1250  1.462880E+01  1.476552E+00
    6.1750  1.360047E+01  1.519462E+00
    6.2250  1.398881E+01  1.564314E+00
    6.2750  1.299213E+01  1.606643E+00
    6.3250  1.156905E+01  1.644938E+00
    6.3750  9.390172E+00  1.676514E+00
    6.4250  1.017170E+01  1.711257E+00
    6.4750  8.892346E+00  1.742105E+00
    6.5250  8.287533E+00  1.771300E+00
    6.5750  9.494560E+00  1.805262E+00
    6.6250  1.062369E+01  1.843843E+00
    6.6750  1.017967E+01  1.881371E+00
    6.7250  1.058242E+01  1.920971E+00
    6.7750  1.037790E+01  1.960386E+00
    6.8250  9.787792E+00  1.998110E+00
    6.8750  8.967731E+00  2.033181E+00
    6.9250  8.451070E+00  2.066714E+00
    6.9750  7.776722E+00  2.098019E+00
    7.0250  7.744549E+00  2.129643E+00
    7.0750  7.974648E+00  2.162671E+00
    7.1250  7.272476E+00  2.193219E+00
    7.1750  7.079801E+00  2.223376E+00
    7.2250  6.588557E+00  2.251833E+00
    7.2750  6.733182E+00  2.281319E+00
    7.3250  6.412038E+00  2.309786E+00
    7.3750  6.512676E+00  2.339095E+00
    7.4250  5.934622E+00  2.366167E+00
    7.4750  6.342680E+00  2.395490E+00
    7.5250  5.648863E+00  2.421957E+00
    7.5750  4.650797E+00  2.444038E+00
    7.6250  5.067118E+00  2.468414E+00
    7.6750  4.315451E+00  2.489448E+00
    7.7250  4.025419E+00  2.509324E+00
    7.7750  4.506954E+00  2.531867E+00
    7.8250  4.233361E+00  2.553314E+00
    7.8750  4.422915E+00  2.576010E+00
    7.9250  4.238077E+00  2.598033E+00
    7.9750  4.741608E+00  2.622986E+00
    8.0250  5.041952E+00  2.649852E+00
    8.0750  5.182708E+00  2.677814E+00
    8.1250  5.484395E+00  2.707771E+00
    8.1750  5.333981E+00  2.737267E+00
    8.2250  5.271880E+00  2.766776E+00
    8.2750  5.565561E+00  2.798310E+00
    8.3250  5.619317E+00  2.830533E+00
    8.3750  5.601652E+00  2.863043E+00
    8.4250  5.258066E+00  2.893924E+00
    8.4750  5.068004E+00  2.924043E+00
    8.5250  5.791914E+00  2.958871E+00
    8.5750  5.063197E+00  2.989676E+00
    8.6250  4.928073E+00  3.020010E+00
    8.6750  4.859193E+00  3.050267E+00
    8.7250  5.316232E+00  3.083752E+00
    8.7750  5.237136E+00  3.117119E+00
    8.8250  5.111452E+00  3.150057E+00
    8.8750  5.279066E+00  3.184462E+00
    8.9250  5.419494E+00  3.220181E+00
    8.9750  5.940146E+00  3.259771E+00
    9.0250  5.817983E+00  3.298981E+00
    9.0750  6.177532E+00  3.341076E+00
    9.1250  6.228211E+00  3.383986E+00
    9.1750  6.312287E+00  3.427952E+00
    9.2250  6.253515E+00  3.471986E+00
    9.2750  6.279265E+00  3.516681E+00
    9.3250  6.625101E+00  3.564348E+00
    9.3750  6.333952E+00  3.610410E+00
    9.4250  6.360221E+00  3.657157E+00
    9.4750  6.117622E+00  3.702600E+00
    9.5250  6.219128E+00  3.749286E+00
    9.5750  5.870608E+00  3.793819E+00
    9.6250  5.387335E+00  3.835114E+00
    9.6750  5.037293E+00  3.874129E+00
    9.7250  4.328424E+00  3.908000E+00
    9.7750  4.245106E+00  3.941562E+00
    9.8250  4.089924E+00  3.974229E+00
    9.8750  4.284092E+00  4.008795E+00
    9.9250  4.565877E+00  4.046010E+00
    9.9750  4.328767E+00  4.081648E+00
   10.0250  4.125354E+00  4.115952E+00
   10.0750  4.121929E+00  4.150571E+00
   10.1250  3.855640E+00  4.183276E+00
   10.1750  3.861755E+00  4.216357E+00
   10.2250  3.327560E+00  4.245143E+00
   10.2750  3.712817E+00  4.277576E+00
   10.3250  3.555477E+00  4.308938E+00
   10.3750  3.775790E+00  4.342567E+00
   10.4250  3.513542E+00  4.374162E+00
   10.4750  3.310140E+00  4.404214E+00
   10.5250  3.638800E+00  4.437567E+00
   10.5750  3.736218E+00  4.472138E+00
   10.6250  3.822468E+00  4.507843E+00
   10.6750  3.609478E+00  4.541876E+00
   10.7250  3.796049E+00  4.578005E+00
   10.7750  3.622104E+00  4.612800E+00
   10.8250  3.303863E+00  4.644833E+00
   10.8750  2.793249E+00  4.672167E+00
   10.9250  2.908056E+00  4.700886E+00
   10.9750  2.858207E+00  4.729371E+00
   11.0250  2.697400E+00  4.756500E+00
   11.0750  2.410810E+00  4.780967E+00
   11.1250  2.233413E+00  4.803838E+00
   11.1750  2.247114E+00  4.827057E+00
   11.2250  2.021143E+00  4.848129E+00
   11.2750  1.866990E+00  4.867767E+00
   11.3250  1.762591E+00  4.886471E+00
   11.3750  1.711102E+00  4.904790E+00
   11.4250  1.687340E+00  4.923014E+00
   11.4750  1.499150E+00  4.939348E+00
   11.5250  1.393448E+00  4.954662E+00
   11.5750  1.389167E+00  4.970062E+00
   11.6250  1.353395E+00  4.985195E+00
   11.6750  1.202916E+00  4.998762E+00
   11.7250  1.057879E+00  5.010795E+00
   11.7750  1.078800E+00  5.023171E+00
   11.8250  9.812065E-01  5.034524E+00
   11.8750  9.301084E-01  5.045376E+00
   11.9250  9.061369E-01  5.056038E+00
   11.9750  8.584524E-01  5.066224E+00
   12.0250  8.338163E-01  5.076200E+00
   12.0750  6.639085E-01  5.084210E+00
   12.1250  5.347413E-01  5.090714E+00
   12.1750  4.437770E-01  5.096157E+00
   12.2250  4.690359E-01  5.101957E+00
   12.2750  3.766088E-01  5.106652E+00
   12.3250  3.887139E-01  5.111538E+00
   12.3750  4.502181E-01  5.117243E+00
   12.4250  4.003760E-01  5.122357E+00
   12.4750  3.158154E-01  5.126424E+00
   12.5250  1.548152E-01  5.128433E+00
   12.5750  1.503110E-01  5.130400E+00
   12.6250  1.393738E-01  5.132238E+00
   12.6750  1.296789E-01  5.133962E+00
   12.7250  1.176438E-01  5.135538E+00
   12.7750  9.168707E-02  5.136776E+00
   12.8250  7.732752E-02  5.137829E+00
   12.8750  5.381382E-02  5.138567E+00
   12.9250  5.546530E-02  5.139333E+00
   12.9750  5.606421E-02  5.140114E+00
   13.0250  4.410060E-02  5.140733E+00
   13.0750  2.962483E-02  5.141152E+00
   13.1250  3.541309E-02  5.141657E+00
   13.1750  1.690930E-02  5.141900E+00
   13.2250  2.073031E-02  5.142200E+00
   13.2750  2.481996E-02  5.142562E+00
   13.3250  1.231702E-02  5.142743E+00
   13.3750  4.825700E-03  5.142814E+00
   13.4250  2.873893E-03  5.142857E+00
   13.4750  0.000000E+00  5.142857E+00
   13.5250  0.000000E+00  5.142857E+00
   13.5750  0.000000E+00  5.142857E+00
   13.6250  0.000000E+00  5.142857E+00
   13.6750  0.000000E+00  5.142857E+00
   13.7250  0.000000E+00  5.142857E+00
   13.7750  0.000000E+00  5.142857E+00
   13.8250  0.000000E+00  5.142857E+00
   13.8750  0.000000E+00  5.142857E+00
   13.9250  0.000000E+00  5.142857E+00
   13.9750  0.000000E+00  5.142857E+00
   14.0250  0.000000E+00  5.142857E+00
   14.0750  0.000000E+00  5.142857E+00
   14.1250  0.000000E+00  5.142857E+00
   14.1750  0.000000E+00  5.142857E+00
   14.2250  0.000000E+00  5.142857E+00
   14.2750  0.000000E+00  5.142857E+00
   14.3250  0.000000E+00  5.142857E+00
   14.3750  0.000000E+00  5.142857E+00
   14.4250  0.000000E+00  5.142857E+00
   14.4750  0.000000E+00  5.142857E+00
   14.5250  0.000000E+00  5.142857E+00
   14.5750  0.000000E+00  5.142857E+00
   14.6250  0.000000E+00  5.142857E+00
   14.6750  0.000000E+00  5.142857E+00
   14.7250  0.000000E+00  5.142857E+00
   14.7750  0.000000E+00  5.142857E+00
   14.8250  0.000000E+00  5.142857E+00
   14.8750  0.000000E+00  5.142857E+00
   14.9250  0.000000E+00  5.142857E+00
   14.9750  0.000000E+00  5.142857E+00
   15.0250  0.000000E+00  5.142857E+00
   15.0750  0.000000E+00  5.142857E+00
   15.1250  0.000000E+00  5.142857E+00
   15.1750  0.000000E+00  5.142857E+00
   15.2250  0.000000E+00  5.142857E+00
   15.2750  0.000000E+00  5.142857E+00
   15.3250  0.000000E+00  5.142857E+00
   15.3750  0.000000E+00  5.142857E+00
   15.4250  0.000000E+00  5.142857E+00
   15.4750  0.000000E+00  5.142857E+00
   15.5250  0.000000E+00  5.142857E+00
   15.5750  0.000000E+00  5.142857E+00
   15.6250  0.000000E+00  5.142857E+00
   15.6750  0.000000E+00  5.142857E+00
   15.7250  0.000000E+00  5.142857E+00
   15.7750  0.000000E+00  5.142857E+00
   15.8250  0.000000E+00  5.142857E+00
   15.8750  0.000000E+00  5.142857E+00
   15.9250  0.000000E+00  5.142857E+00
   15.9750  0.000000E+00  5.142857E+00

g(r)  :CT      OS      

        r      g(r)         n(r)

    2.7750  0.000000E+00  0.000000E+00
    2.8250  0.000000E+00  0.000000E+00
    2.8750  1.601394E-01  1.095238E-04
    2.9250  2.354306E-01  2.761905E-04
    2.9750  2.600956E-01  4.666667E-04
    3.0250  1.383627E+00  1.514286E-03
    3.0750  2.276297E+00  3.295238E-03
    3.1250  2.805142E+00  5.561905E-03
    3.1750  3.271262E+00  8.290476E-03
    3.2250  4.316021E+00  1.200476E-02
    3.2750  4.882784E+00  1.633810E-02
    3.3250  5.450199E+00  2.132381E-02
    3.3750  5.704211E+00  2.670000E-02
    3.4250  5.087530E+00  3.163810E-02
    3.4750  4.951714E+00  3.658571E-02
    3.5250  5.020661E+00  4.174762E-02
    3.5750  4.629042E+00  4.664286E-02
    3.6250  4.712447E+00  5.176667E-02
    3.6750  5.275412E+00  5.766190E-02
    3.7250  5.329681E+00  6.378095E-02
    3.7750  5.492319E+00  7.025714E-02
    3.8250  5.259197E+00  7.662381E-02
    3.8750  5.576615E+00  8.355238E-02
    3.9250  7.303293E+00  9.286190E-02
    3.9750  9.695834E+00  1.055381E-01
    4.0250  1.515802E+01  1.258571E-01
    4.0750  2.255853E+01  1.568524E-01
    4.1250  2.537353E+01  1.925762E-01
    4.1750  2.634105E+01  2.305667E-01
    4.2250  2.217486E+01  2.633190E-01
    4.2750  1.625541E+01  2.879000E-01
    4.3250  1.523256E+01  3.114762E-01
    4.3750  1.321163E+01  3.324000E-01
    4.4250  1.149219E+01  3.510190E-01
    4.4750  1.064193E+01  3.686524E-01
    4.5250  1.490237E+01  3.939000E-01
    4.5750  1.733627E+01  4.239238E-01
    4.6250  2.129244E+01  4.616095E-01
    4.6750  2.216131E+01  5.016857E-01
    4.7250  2.227220E+01  5.428286E-01
    4.7750  2.276233E+01  5.857714E-01
    4.8250  2.347466E+01  6.309905E-01
    4.8750  2.361069E+01  6.774190E-01
    4.9250  2.307203E+01  7.237238E-01
    4.9750  1.923436E+01  7.631143E-01
    5.0250  1.418571E+01  7.927524E-01
    5.0750  9.391629E+00  8.127667E-01
    5.1250  6.492285E+00  8.268762E-01
    5.1750  6.354544E+00  8.409571E-01
    5.2250  6.419017E+00  8.554571E-01
    5.2750  6.066260E+00  8.694238E-01
    5.3250  6.184252E+00  8.839333E-01
    5.3750  6.800809E+00  9.001905E-01
    5.4250  5.862545E+00  9.144667E-01
    5.4750  5.469887E+00  9.280333E-01
    5.5250  5.656019E+00  9.423190E-01
    5.5750  5.275419E+00  9.558857E-01
    5.6250  5.980549E+00  9.715429E-01
    5.6750  5.850612E+00  9.871333E-01
    5.7250  6.112339E+00  1.003710E+00
    5.7750  7.113092E+00  1.023338E+00
    5.8250  8.236473E+00  1.046462E+00
    5.8750  8.251943E+00  1.070029E+00
    5.9250  8.414903E+00  1.094471E+00
    5.9750  9.475636E+00  1.122462E+00
    6.0250  1.136261E+01  1.156590E+00
    6.0750  1.246753E+01  1.194662E+00
    6.1250  1.409802E+01  1.238424E+00
    6.1750  1.604405E+01  1.289043E+00
    6.2250  1.594181E+01  1.340157E+00
    6.2750  1.591386E+01  1.392005E+00
    6.3250  1.615237E+01  1.445471E+00
    6.3750  1.539161E+01  1.497229E+00
    6.4250  1.374769E+01  1.544186E+00
    6.4750  1.206603E+01  1.586043E+00
    6.5250  1.123028E+01  1.625605E+00
    6.5750  9.836695E+00  1.660790E+00
    6.6250  8.852204E+00  1.692938E+00
    6.6750  8.160790E+00  1.723024E+00
    6.7250  8.211684E+00  1.753752E+00
    6.7750  7.975574E+00  1.784043E+00
    6.8250  8.284163E+00  1.815971E+00
    6.8750  8.355271E+00  1.848648E+00
    6.9250  8.641885E+00  1.882938E+00
    6.9750  8.387124E+00  1.916700E+00
    7.0250  7.688573E+00  1.948095E+00
    7.0750  8.661047E+00  1.983967E+00
    7.1250  8.310915E+00  2.018876E+00
    7.1750  8.845000E+00  2.056552E+00
    7.2250  8.887275E+00  2.094938E+00
    7.2750  8.633958E+00  2.132748E+00
    7.3250  8.444626E+00  2.170238E+00
    7.3750  7.695645E+00  2.204871E+00
    7.4250  6.574538E+00  2.234862E+00
    7.4750  7.190362E+00  2.268105E+00
    7.5250  6.906086E+00  2.300462E+00
    7.5750  5.975727E+00  2.328833E+00
    7.6250  5.675885E+00  2.356138E+00
    7.6750  5.130277E+00  2.381143E+00
    7.7250  5.251175E+00  2.407071E+00
    7.7750  5.550389E+00  2.434833E+00
    7.8250  5.304860E+00  2.461710E+00
    7.8750  5.682230E+00  2.490867E+00
    7.9250  5.747291E+00  2.520733E+00
    7.9750  6.450034E+00  2.554676E+00
    8.0250  5.999941E+00  2.586648E+00
    8.0750  5.627545E+00  2.617010E+00
    8.1250  6.242847E+00  2.651110E+00
    8.1750  6.045293E+00  2.684538E+00
    8.2250  6.300394E+00  2.719805E+00
    8.2750  6.636314E+00  2.757405E+00
    8.3250  6.240456E+00  2.793190E+00
    8.3750  6.386884E+00  2.830257E+00
    8.4250  7.212104E+00  2.872614E+00
    8.4750  6.725022E+00  2.912581E+00
    8.5250  6.713678E+00  2.952952E+00
    8.5750  6.235660E+00  2.990890E+00
    8.6250  5.861854E+00  3.026971E+00
    8.6750  5.445753E+00  3.060881E+00
    8.7250  5.631486E+00  3.096352E+00
    8.7750  5.776769E+00  3.133157E+00
    8.8250  5.649422E+00  3.169562E+00
    8.8750  5.526762E+00  3.205581E+00
    8.9250  5.714997E+00  3.243248E+00
    8.9750  5.577907E+00  3.280424E+00
    9.0250  5.121295E+00  3.314938E+00
    9.0750  4.899398E+00  3.348324E+00
    9.1250  4.913589E+00  3.382176E+00
    9.1750  4.539542E+00  3.413795E+00
    9.2250  4.912461E+00  3.448386E+00
    9.2750  5.115868E+00  3.484800E+00
    9.3250  5.391416E+00  3.523590E+00
    9.3750  5.071483E+00  3.560471E+00
    9.4250  5.715582E+00  3.602481E+00
    9.4750  5.716960E+00  3.644948E+00
    9.5250  5.864528E+00  3.688971E+00
    9.5750  5.867469E+00  3.733481E+00
    9.6250  5.627752E+00  3.776619E+00
    9.6750  5.440005E+00  3.818752E+00
    9.7250  5.364738E+00  3.860733E+00
    9.7750  5.281085E+00  3.902486E+00
    9.8250  5.184545E+00  3.943895E+00
    9.8750  5.375919E+00  3.987271E+00
    9.9250  5.499500E+00  4.032095E+00
    9.9750  4.860897E+00  4.072114E+00
   10.0250  4.578890E+00  4.110190E+00
   10.0750  4.642982E+00  4.149186E+00
   10.1250  4.315420E+00  4.185790E+00
   10.1750  4.126358E+00  4.221138E+00
   10.2250  4.104817E+00  4.256648E+00
   10.2750  3.807668E+00  4.289910E+00
   10.3250  3.429151E+00  4.320157E+00
   10.3750  3.321861E+00  4.349743E+00
   10.4250  3.395982E+00  4.380281E+00
   10.4750  3.661558E+00  4.413524E+00
   10.5250  3.793621E+00  4.448295E+00
   10.5750  3.284372E+00  4.478686E+00
   10.6250  3.282592E+00  4.509348E+00
   10.6750  2.944853E+00  4.537114E+00
   10.7250  3.427802E+00  4.569738E+00
   10.7750  3.563115E+00  4.603967E+00
   10.8250  3.396196E+00  4.636895E+00
   10.8750  3.387910E+00  4.670048E+00
   10.9250  3.221959E+00  4.701867E+00
   10.9750  2.666609E+00  4.728443E+00
   11.0250  2.566721E+00  4.754257E+00
   11.0750  2.430517E+00  4.778924E+00
   11.1250  2.212022E+00  4.801576E+00
   11.1750  2.262322E+00  4.824952E+00
   11.2250  2.288801E+00  4.848814E+00
   11.2750  2.356826E+00  4.873605E+00
   11.3250  2.136378E+00  4.896276E+00
   11.3750  2.134985E+00  4.919133E+00
   11.4250  2.103112E+00  4.941848E+00
   11.4750  1.864541E+00  4.962162E+00
   11.5250  1.894326E+00  4.982981E+00
   11.5750  1.765883E+00  5.002557E+00
   11.6250  1.596563E+00  5.020410E+00
   11.6750  1.432183E+00  5.036562E+00
   11.7250  1.562747E+00  5.054338E+00
   11.7750  1.373924E+00  5.070100E+00
   11.8250  1.112912E+00  5.082976E+00
   11.8750  1.110906E+00  5.095938E+00
   11.9250  9.984099E-01  5.107686E+00
   11.9750  1.070357E+00  5.120386E+00
   12.0250  9.703313E-01  5.131995E+00
   12.0750  8.324513E-01  5.142038E+00
   12.1250  9.301210E-01  5.153352E+00
   12.1750  8.689177E-01  5.164010E+00
   12.2250  9.384569E-01  5.175614E+00
   12.2750  8.613112E-01  5.186352E+00
   12.3250  8.232702E-01  5.196700E+00
   12.3750  7.403419E-01  5.206081E+00
   12.4250  6.754947E-01  5.214710E+00
   12.4750  6.634342E-01  5.223252E+00
   12.5250  4.288601E-01  5.228819E+00
   12.5750  4.844162E-01  5.235157E+00
   12.6250  4.809479E-01  5.241500E+00
   12.6750  4.105303E-01  5.246957E+00
   12.7250  3.849191E-01  5.252114E+00
   12.7750  4.404506E-01  5.258062E+00
   12.8250  3.628445E-01  5.263000E+00
   12.8750  3.256604E-01  5.267467E+00
   12.9250  2.800825E-01  5.271338E+00
   12.9750  2.317777E-01  5.274567E+00
   13.0250  1.540129E-01  5.276729E+00
   13.0750  9.257760E-02  5.278038E+00
   13.1250  1.333002E-01  5.279938E+00
   13.1750  1.220122E-01  5.281690E+00
   13.2250  7.370777E-02  5.282757E+00
   13.2750  3.788310E-02  5.283310E+00
   13.3250  2.495818E-02  5.283676E+00
   13.3750  1.479881E-02  5.283895E+00
   13.4250  1.117625E-02  5.284062E+00
   13.4750  1.806650E-02  5.284333E+00
   13.5250  2.957399E-02  5.284781E+00
   13.5750  3.185497E-02  5.285267E+00
   13.6250  1.798091E-02  5.285543E+00
   13.6750  1.107910E-02  5.285714E+00
   13.7250  0.000000E+00  5.285714E+00
   13.7750  0.000000E+00  5.285714E+00
   13.8250  0.000000E+00  5.285714E+00
   13.8750  0.000000E+00  5.285714E+00
   13.9250  0.000000E+00  5.285714E+00
   13.9750  0.000000E+00  5.285714E+00
   14.0250  0.000000E+00  5.285714E+00
   14.0750  0.000000E+00  5.285714E+00
   14.1250  0.000000E+00  5.285714E+00
   14.1750  0.000000E+00  5.285714E+00
   14.2250  0.000000E+00  5.285714E+00
   14.2750  0.000000E+00  5.285714E+00
   14.3250  0.000000E+00  5.285714E+00
   14.3750  0.000000E+00  5.285714E+00
   14.4250  0.000000E+00  5.285714E+00
   14.4750  0.000000E+00  5.285714E+00
   14.5250  0.000000E+00  5.285714E+00
   14.5750  0.000000E+00  5.285714E+00
   14.6250  0.000000E+00  5.285714E+00
   14.6750  0.000000E+00  5.285714E+00
   14.7250  0.000000E+00  5.285714E+00
   14.7750  0.000000E+00  5.285714E+00
   14.8250  0.000000E+00  5.285714E+00
   14.8750  0.000000E+00  5.285714E+00
   14.9250  0.000000E+00  5.285714E+00
   14.9750  0.000000E+00  5.285714E+00
   15.0250  0.000000E+00  5.285714E+00
   15.0750  0.000000E+00  5.285714E+00
   15.1250  0.000000E+00  5.285714E+00
   15.1750  0.000000E+00  5.285714E+00
   15.2250  0.000000E+00  5.285714E+00
   15.2750  0.000000E+00  5.285714E+00
   15.3250  0.000000E+00  5.285714E+00
   15.3750  0.000000E+00  5.285714E+00
   15.4250  0.000000E+00  5.285714E+00
   15.4750  0.000000E+00  5.285714E+00
   15.5250  0.000000E+00  5.285714E+00
   15.5750  0.000000E+00  5.285714E+00
   15.6250  0.000000E+00  5.285714E+00
   15.6750  0.000000E+00  5.285714E+00
   15.7250  0.000000E+00  5.285714E+00
   15.7750  0.000000E+00  5.285714E+00
   15.8250  0.000000E+00  5.285714E+00
   15.8750  0.000000E+00  5.285714E+00
   15.9250  0.000000E+00  5.285714E+00
   15.9750  0.000000E+00  5.285714E+00

g(r)  :CT      Oe      

        r      g(r)         n(r)

    2.3750  0.000000E+00  0.000000E+00
    2.4250  0.000000E+00  0.000000E+00
    2.4750  5.636937E-02  2.857143E-05
    2.5250  3.971667E-01  2.380952E-04
    2.5750  1.597007E+00  1.114286E-03
    2.6250  7.608583E+00  5.452381E-03
    2.6750  1.777416E+01  1.597619E-02
    2.7250  2.469983E+01  3.115238E-02
    2.7750  2.803280E+01  4.901429E-02
    2.8250  1.846073E+01  6.120476E-02
    2.8750  1.136294E+01  6.897619E-02
    2.9250  6.881299E+00  7.384762E-02
    2.9750  7.256666E+00  7.916190E-02
    3.0250  1.006275E+01  8.678095E-02
    3.0750  1.260484E+01  9.664286E-02
    3.1250  1.476235E+01  1.085714E-01
    3.1750  1.549996E+01  1.215000E-01
    3.2250  1.491794E+01  1.343381E-01
    3.2750  1.605953E+01  1.485905E-01
    3.3250  1.675142E+01  1.639143E-01
    3.3750  1.523818E+01  1.782762E-01
    3.4250  1.508107E+01  1.929143E-01
    3.4750  1.468357E+01  2.075857E-01
    3.5250  1.429777E+01  2.222857E-01
    3.5750  1.301805E+01  2.360524E-01
    3.6250  1.298113E+01  2.501667E-01
    3.6750  1.274962E+01  2.644143E-01
    3.7250  1.208614E+01  2.782905E-01
    3.7750  1.160252E+01  2.919714E-01
    3.8250  1.209576E+01  3.066143E-01
    3.8750  1.018355E+01  3.192667E-01
    3.9250  1.017978E+01  3.322429E-01
    3.9750  1.167725E+01  3.475095E-01
    4.0250  1.301948E+01  3.649619E-01
    4.0750  1.724554E+01  3.886571E-01
    4.1250  2.296876E+01  4.209952E-01
    4.1750  2.668112E+01  4.594762E-01
    4.2250  3.104093E+01  5.053238E-01
    4.2750  3.306820E+01  5.553286E-01
    4.3250  3.145889E+01  6.040190E-01
    4.3750  2.607147E+01  6.453095E-01
    4.4250  2.334883E+01  6.831381E-01
    4.4750  2.093899E+01  7.178333E-01
    4.5250  1.921961E+01  7.503952E-01
    4.5750  1.873032E+01  7.828333E-01
    4.6250  1.761994E+01  8.140190E-01
    4.6750  1.742149E+01  8.455238E-01
    4.7250  1.649535E+01  8.759952E-01
    4.7750  1.720931E+01  9.084619E-01
    4.8250  1.793972E+01  9.430190E-01
    4.8750  1.903627E+01  9.804524E-01
    4.9250  2.053088E+01  1.021657E+00
    4.9750  2.015283E+01  1.062929E+00
    5.0250  2.089794E+01  1.106590E+00
    5.0750  1.712525E+01  1.143086E+00
    5.1250  1.625591E+01  1.178414E+00
    5.1750  1.743470E+01  1.217048E+00
    5.2250  1.765915E+01  1.256938E+00
    5.2750  1.586369E+01  1.293462E+00
    5.3250  1.568896E+01  1.330271E+00
    5.3750  1.509963E+01  1.366367E+00
    5.4250  1.467983E+01  1.402114E+00
    5.4750  1.365648E+01  1.435986E+00
    5.5250  1.250734E+01  1.467576E+00
    5.5750  1.252287E+01  1.499781E+00
    5.6250  1.264137E+01  1.532876E+00
    5.6750  1.320587E+01  1.568067E+00
    5.7250  1.308859E+01  1.603562E+00
    5.7750  1.219683E+01  1.637219E+00
    5.8250  1.248362E+01  1.672267E+00
    5.8750  1.308739E+01  1.709643E+00
    5.9250  1.328056E+01  1.748219E+00
    5.9750  1.340904E+01  1.787829E+00
    6.0250  1.382633E+01  1.829357E+00
    6.0750  1.349363E+01  1.870562E+00
    6.1250  1.463034E+01  1.915976E+00
    6.1750  1.389478E+01  1.959814E+00
    6.2250  1.350019E+01  2.003100E+00
    6.2750  1.350807E+01  2.047110E+00
    6.3250  1.369528E+01  2.092443E+00
    6.3750  1.368238E+01  2.138452E+00
    6.4250  1.456187E+01  2.188190E+00
    6.4750  1.298299E+01  2.233229E+00
    6.5250  1.360394E+01  2.281152E+00
    6.5750  1.354559E+01  2.329605E+00
    6.6250  1.364611E+01  2.379162E+00
    6.6750  1.344502E+01  2.428729E+00
    6.7250  1.323693E+01  2.478262E+00
    6.7750  1.341717E+01  2.529219E+00
    6.8250  1.266285E+01  2.578024E+00
    6.8750  1.280443E+01  2.628100E+00
    6.9250  1.171053E+01  2.674567E+00
    6.9750  1.129837E+01  2.720048E+00
    7.0250  1.130720E+01  2.766219E+00
    7.0750  1.256329E+01  2.818252E+00
    7.1250  1.223227E+01  2.869633E+00
    7.1750  1.280803E+01  2.924190E+00
    7.2250  1.250569E+01  2.978205E+00
    7.2750  1.253664E+01  3.033105E+00
    7.3250  1.163563E+01  3.084762E+00
    7.3750  1.114615E+01  3.134924E+00
    7.4250  1.111659E+01  3.185633E+00
    7.4750  1.122380E+01  3.237524E+00
    7.5250  1.118593E+01  3.289933E+00
    7.5750  1.125038E+01  3.343348E+00
    7.6250  1.118151E+01  3.397138E+00
    7.6750  1.121412E+01  3.451795E+00
    7.7250  1.133560E+01  3.507767E+00
    7.7750  1.134164E+01  3.564495E+00
    7.8250  1.093587E+01  3.619900E+00
    7.8750  1.022300E+01  3.672357E+00
    7.9250  8.685997E+00  3.717495E+00
    7.9750  8.901373E+00  3.764338E+00
    8.0250  9.499460E+00  3.814957E+00
    8.0750  9.350410E+00  3.865405E+00
    8.1250  8.986352E+00  3.914490E+00
    8.1750  9.018854E+00  3.964362E+00
    8.2250  8.456105E+00  4.011695E+00
    8.2750  8.969446E+00  4.062514E+00
    8.3250  7.762579E+00  4.107029E+00
    8.3750  7.279604E+00  4.149276E+00
    8.4250  6.571569E+00  4.187871E+00
    8.4750  7.462186E+00  4.232219E+00
    8.5250  7.328188E+00  4.276286E+00
    8.5750  6.912684E+00  4.318343E+00
    8.6250  6.606867E+00  4.359010E+00
    8.6750  6.263266E+00  4.398010E+00
    8.7250  6.152374E+00  4.436762E+00
    8.7750  6.042849E+00  4.475262E+00
    8.8250  6.092065E+00  4.514519E+00
    8.8750  5.810261E+00  4.552386E+00
    8.9250  6.181734E+00  4.593129E+00
    8.9750  5.900135E+00  4.632452E+00
    9.0250  5.627206E+00  4.670376E+00
    9.0750  6.013311E+00  4.711352E+00
    9.1250  5.472061E+00  4.749052E+00
    9.1750  5.373614E+00  4.786481E+00
    9.2250  5.318226E+00  4.823929E+00
    9.2750  5.064355E+00  4.859976E+00
    9.3250  4.999602E+00  4.895948E+00
    9.3750  4.894030E+00  4.931538E+00
    9.4250  4.735990E+00  4.966348E+00
    9.4750  4.612416E+00  5.000610E+00
    9.5250  4.282469E+00  5.032757E+00
    9.5750  4.242255E+00  5.064938E+00
    9.6250  4.207613E+00  5.097190E+00
    9.6750  3.981017E+00  5.128024E+00
    9.7250  3.949314E+00  5.158929E+00
    9.7750  3.246470E+00  5.184595E+00
    9.8250  3.173566E+00  5.209943E+00
    9.8750  3.041770E+00  5.234486E+00
    9.9250  3.174204E+00  5.260357E+00
    9.9750  3.004803E+00  5.285095E+00
   10.0250  2.190377E+00  5.303310E+00
   10.0750  2.245799E+00  5.322171E+00
   10.1250  2.291041E+00  5.341605E+00
   10.1750  2.315830E+00  5.361443E+00
   10.2250  2.227181E+00  5.380710E+00
   10.2750  2.193020E+00  5.399867E+00
   10.3250  2.032010E+00  5.417790E+00
   10.3750  1.860627E+00  5.434362E+00
   10.4250  1.958793E+00  5.451976E+00
   10.4750  1.992588E+00  5.470067E+00
   10.5250  1.636525E+00  5.485067E+00
   10.5750  1.332379E+00  5.497395E+00
   10.6250  1.243908E+00  5.509014E+00
   10.6750  1.219657E+00  5.520514E+00
   10.7250  1.039698E+00  5.530410E+00
   10.7750  9.413405E-01  5.539452E+00
   10.8250  8.678349E-01  5.547867E+00
   10.8750  7.060984E-01  5.554776E+00
   10.9250  8.351440E-01  5.563024E+00
   10.9750  7.663933E-01  5.570662E+00
   11.0250  6.770726E-01  5.577471E+00
   11.0750  4.926724E-01  5.582471E+00
   11.1250  5.417293E-01  5.588019E+00
   11.1750  5.378141E-01  5.593576E+00
   11.2250  4.161042E-01  5.597914E+00
   11.2750  4.979847E-01  5.603152E+00
   11.3250  3.262229E-01  5.606614E+00
   11.3750  3.349258E-01  5.610200E+00
   11.4250  1.820933E-01  5.612167E+00
   11.4750  2.067341E-01  5.614419E+00
   11.5250  2.383073E-01  5.617038E+00
   11.5750  2.087617E-01  5.619352E+00
   11.6250  1.388315E-01  5.620905E+00
   11.6750  2.077341E-01  5.623248E+00
   11.7250  2.608067E-01  5.626214E+00
   11.7750  2.594267E-01  5.629190E+00
   11.8250  1.666899E-01  5.631119E+00
   11.8750  1.403937E-01  5.632757E+00
   11.9250  1.274824E-01  5.634257E+00
   11.9750  1.248147E-01  5.635738E+00
   12.0250  1.245749E-01  5.637229E+00
   12.0750  1.073621E-01  5.638524E+00
   12.1250  7.868448E-02  5.639481E+00
   12.1750  7.260394E-02  5.640371E+00
   12.2250  4.274465E-02  5.640900E+00
   12.2750  7.371754E-02  5.641819E+00
   12.3250  5.948156E-02  5.642567E+00
   12.3750  1.954202E-02  5.642814E+00
   12.4250  3.355106E-03  5.642857E+00
   12.4750  0.000000E+00  5.642857E+00
   12.5250  0.000000E+00  5.642857E+00
   12.5750  0.000000E+00  5.642857E+00
   12.6250  0.000000E+00  5.642857E+00
   12.6750  0.000000E+00  5.642857E+00
   12.7250  0.000000E+00  5.642857E+00
   12.7750  0.000000E+00  5.642857E+00
   12.8250  0.000000E+00  5.642857E+00
   12.8750  0.000000E+00  5.642857E+00
   12.9250  0.000000E+00  5.642857E+00
   12.9750  0.000000E+00  5.642857E+00
   13.0250  0.000000E+00  5.642857E+00
   13.0750  0.000000E+00  5.642857E+00
   13.1250  0.000000E+00  5.642857E+00
   13.1750  0.000000E+00  5.642857E+00
   13.2250  0.000000E+00  5.642857E+00
   13.2750  0.000000E+00  5.642857E+00
   13.3250  0.000000E+00  5.642857E+00
   13.3750  0.000000E+00  5.642857E+00
   13.4250  0.000000E+00  5.642857E+00
   13.4750  0.000000E+00  5.642857E+00
   13.5250  0.000000E+00  5.642857E+00
   13.5750  0.000000E+00  5.642857E+00
   13.6250  0.000000E+00  5.642857E+00
   13.6750  0.000000E+00  5.642857E+00
   13.7250  0.000000E+00  5.642857E+00
   13.7750  0.000000E+00  5.642857E+00
   13.8250  0.000000E+00  5.642857E+00
   13.8750  0.000000E+00  5.642857E+00
   13.9250  0.000000E+00  5.642857E+00
   13.9750  0.000000E+00  5.642857E+00
   14.0250  0.000000E+00  5.642857E+00
   14.0750  0.000000E+00  5.642857E+00
   14.1250  0.000000E+00  5.642857E+00
   14.1750  0.000000E+00  5.642857E+00
   14.2250  0.000000E+00  5.642857E+00
   14.2750  0.000000E+00  5.642857E+00
   14.3250  0.000000E+00  5.642857E+00
   14.3750  0.000000E+00  5.642857E+00
   14.4250  0.000000E+00  5.642857E+00
   14.4750  0.000000E+00  5.642857E+00
   14.5250  0.000000E+00  5.642857E+00
   14.5750  0.000000E+00  5.642857E+00
   14.6250  0.000000E+00  5.642857E+00
   14.6750  0.000000E+00  5.642857E+00
   14.7250  0.000000E+00  5.642857E+00
   14.7750  0.000000E+00  5.642857E+00
   14.8250  0.000000E+00  5.642857E+00
   14.8750  0.000000E+00  5.642857E+00
   14.9250  0.000000E+00  5.642857E+00
   14.9750  0.000000E+00  5.642857E+00
   15.0250  0.000000E+00  5.642857E+00
   15.0750  0.000000E+00  5.642857E+00
   15.1250  0.000000E+00  5.642857E+00
   15.1750  0.000000E+00  5.642857E+00
   15.2250  0.000000E+00  5.642857E+00
   15.2750  0.000000E+00  5.642857E+00
   15.3250  0.000000E+00  5.642857E+00
   15.3750  0.000000E+00  5.642857E+00
   15.4250  0.000000E+00  5.642857E+00
   15.4750  0.000000E+00  5.642857E+00
   15.5250  0.000000E+00  5.642857E+00
   15.5750  0.000000E+00  5.642857E+00
   15.6250  0.000000E+00  5.642857E+00
   15.6750  0.000000E+00  5.642857E+00
   15.7250  0.000000E+00  5.642857E+00
   15.7750  0.000000E+00  5.642857E+00
   15.8250  0.000000E+00  5.642857E+00
   15.8750  0.000000E+00  5.642857E+00
   15.9250  0.000000E+00  5.642857E+00
   15.9750  0.000000E+00  5.642857E+00

g(r)  :CT      O       

        r      g(r)         n(r)

    2.6250  0.000000E+00  0.000000E+00
    2.6750  0.000000E+00  0.000000E+00
    2.7250  4.650110E-02  2.857143E-05
    2.7750  2.092558E-01  1.619048E-04
    2.8250  6.562212E-01  5.952381E-04
    2.8750  2.019150E+00  1.976190E-03
    2.9250  5.152566E+00  5.623810E-03
    2.9750  7.893901E+00  1.140476E-02
    3.0250  1.382370E+01  2.187143E-02
    3.0750  1.606189E+01  3.443810E-02
    3.1250  1.776197E+01  4.879048E-02
    3.1750  1.706994E+01  6.302857E-02
    3.2250  1.496774E+01  7.590952E-02
    3.2750  1.583954E+01  8.996667E-02
    3.3250  1.768321E+01  1.061429E-01
    3.3750  1.746630E+01  1.226048E-01
    3.4250  1.769107E+01  1.397762E-01
    3.4750  1.704743E+01  1.568095E-01
    3.5250  1.765568E+01  1.749619E-01
    3.5750  1.923214E+01  1.953000E-01
    3.6250  1.957680E+01  2.165857E-01
    3.6750  1.747534E+01  2.361143E-01
    3.7250  1.741167E+01  2.561048E-01
    3.7750  1.667888E+01  2.757714E-01
    3.8250  1.690653E+01  2.962381E-01
    3.8750  1.700963E+01  3.173714E-01
    3.9250  1.525660E+01  3.368190E-01
    3.9750  1.457289E+01  3.558714E-01
    4.0250  1.589336E+01  3.771762E-01
    4.0750  1.824021E+01  4.022381E-01
    4.1250  2.066208E+01  4.313286E-01
    4.1750  2.507649E+01  4.674952E-01
    4.2250  2.903558E+01  5.103810E-01
    4.2750  3.152517E+01  5.580524E-01
    4.3250  2.634855E+01  5.988333E-01
    4.3750  2.137794E+01  6.326905E-01
    4.4250  1.718538E+01  6.605333E-01
    4.4750  1.525448E+01  6.858095E-01
    4.5250  1.775242E+01  7.158857E-01
    4.5750  1.531531E+01  7.424095E-01
    4.6250  1.537608E+01  7.696238E-01
    4.6750  1.750839E+01  8.012857E-01
    4.7250  1.765021E+01  8.338905E-01
    4.7750  1.588163E+01  8.638524E-01
    4.8250  1.475818E+01  8.922810E-01
    4.8750  1.485415E+01  9.214905E-01
    4.9250  1.502150E+01  9.516381E-01
    4.9750  1.378633E+01  9.798714E-01
    5.0250  1.356121E+01  1.008205E+00
    5.0750  1.362825E+01  1.037248E+00
    5.1250  1.353016E+01  1.066652E+00
    5.1750  1.454432E+01  1.098881E+00
    5.2250  1.470788E+01  1.132105E+00
    5.2750  1.491022E+01  1.166433E+00
    5.3250  1.445901E+01  1.200357E+00
    5.3750  1.268130E+01  1.230671E+00
    5.4250  1.129488E+01  1.258176E+00
    5.4750  9.972127E+00  1.282910E+00
    5.5250  9.852785E+00  1.307795E+00
    5.5750  9.330584E+00  1.331790E+00
    5.6250  1.062966E+01  1.359619E+00
    5.6750  1.054861E+01  1.387729E+00
    5.7250  1.166630E+01  1.419367E+00
    5.7750  1.135472E+01  1.450700E+00
    5.8250  1.002251E+01  1.478838E+00
    5.8750  9.685904E+00  1.506500E+00
    5.9250  8.893600E+00  1.532333E+00
    5.9750  8.738928E+00  1.558148E+00
    6.0250  8.724490E+00  1.584352E+00
    6.0750  8.135476E+00  1.609195E+00
    6.1250  6.539701E+00  1.629495E+00
    6.1750  5.530142E+00  1.646943E+00
    6.2250  5.558990E+00  1.664767E+00
    6.2750  6.208860E+00  1.684995E+00
    6.3250  6.495186E+00  1.706495E+00
    6.3750  6.895001E+00  1.729681E+00
    6.4250  7.202165E+00  1.754281E+00
    6.4750  6.965077E+00  1.778443E+00
    6.5250  8.440280E+00  1.808176E+00
    6.5750  9.007318E+00  1.840395E+00
    6.6250  8.881051E+00  1.872648E+00
    6.6750  7.607954E+00  1.900695E+00
    6.7250  7.646677E+00  1.929310E+00
    6.7750  7.697225E+00  1.958543E+00
    6.8250  7.657755E+00  1.988057E+00
    6.8750  7.428666E+00  2.017110E+00
    6.9250  7.380585E+00  2.046395E+00
    6.9750  7.618206E+00  2.077062E+00
    7.0250  7.352715E+00  2.107086E+00
    7.0750  8.039034E+00  2.140381E+00
    7.1250  7.978750E+00  2.173895E+00
    7.1750  7.904828E+00  2.207567E+00
    7.2250  7.546632E+00  2.240162E+00
    7.2750  7.289931E+00  2.272086E+00
    7.3250  6.895783E+00  2.302700E+00
    7.3750  6.096838E+00  2.330138E+00
    7.4250  6.287463E+00  2.358819E+00
    7.4750  5.889484E+00  2.386048E+00
    7.5250  5.432381E+00  2.411500E+00
    7.5750  5.604627E+00  2.438110E+00
    7.6250  5.866929E+00  2.466333E+00
    7.6750  5.551369E+00  2.493390E+00
    7.7250  6.160608E+00  2.523810E+00
    7.7750  5.276201E+00  2.550200E+00
    7.8250  5.397912E+00  2.577548E+00
    7.8750  5.889177E+00  2.607767E+00
    7.9250  6.717696E+00  2.642676E+00
    7.9750  7.138653E+00  2.680243E+00
    8.0250  7.087509E+00  2.718010E+00
    8.0750  6.669029E+00  2.753990E+00
    8.1250  6.661304E+00  2.790376E+00
    8.1750  6.509455E+00  2.826371E+00
    8.2250  6.016255E+00  2.860048E+00
    8.2750  5.781561E+00  2.892805E+00
    8.3250  5.973067E+00  2.927057E+00
    8.3750  5.878986E+00  2.961176E+00
    8.4250  5.471307E+00  2.993310E+00
    8.4750  5.031146E+00  3.023210E+00
    8.5250  5.197201E+00  3.054462E+00
    8.5750  5.348094E+00  3.087000E+00
    8.6250  5.570966E+00  3.121290E+00
    8.6750  5.389162E+00  3.154848E+00
    8.7250  4.944277E+00  3.185990E+00
    8.7750  5.020385E+00  3.217976E+00
    8.8250  5.139533E+00  3.251095E+00
    8.8750  5.097861E+00  3.284319E+00
    8.9250  4.791639E+00  3.315900E+00
    8.9750  4.579785E+00  3.346424E+00
    9.0250  4.408355E+00  3.376133E+00
    9.0750  4.995136E+00  3.410171E+00
    9.1250  4.543117E+00  3.441471E+00
    9.1750  4.758998E+00  3.474619E+00
    9.2250  4.935455E+00  3.509371E+00
    9.2750  4.481653E+00  3.541271E+00
    9.3250  4.098164E+00  3.570757E+00
    9.3750  4.396377E+00  3.602729E+00
    9.4250  4.367347E+00  3.634829E+00
    9.4750  4.735499E+00  3.670005E+00
    9.5250  4.513371E+00  3.703886E+00
    9.5750  4.179481E+00  3.735590E+00
    9.6250  3.905072E+00  3.765524E+00
    9.6750  3.873422E+00  3.795524E+00
    9.7250  3.878117E+00  3.825871E+00
    9.7750  3.916243E+00  3.856833E+00
    9.8250  4.067864E+00  3.889324E+00
    9.8750  4.083432E+00  3.922271E+00
    9.9250  3.701778E+00  3.952443E+00
    9.9750  3.747472E+00  3.983295E+00
   10.0250  4.196934E+00  4.018195E+00
   10.0750  4.267643E+00  4.054038E+00
   10.1250  4.037531E+00  4.088286E+00
   10.1750  3.924570E+00  4.121905E+00
   10.2250  3.718390E+00  4.154071E+00
   10.2750  3.834378E+00  4.187567E+00
   10.3250  3.533883E+00  4.218738E+00
   10.3750  3.298870E+00  4.248119E+00
   10.4250  2.998293E+00  4.275081E+00
   10.4750  3.023237E+00  4.302529E+00
   10.5250  3.101605E+00  4.330957E+00
   10.5750  3.166522E+00  4.360257E+00
   10.6250  3.118947E+00  4.389390E+00
   10.6750  2.830715E+00  4.416081E+00
   10.7250  2.863923E+00  4.443338E+00
   10.7750  2.973228E+00  4.471900E+00
   10.8250  2.879031E+00  4.499814E+00
   10.8750  2.995200E+00  4.529124E+00
   10.9250  3.057534E+00  4.559319E+00
   10.9750  2.971924E+00  4.588938E+00
   11.0250  2.908098E+00  4.618186E+00
   11.0750  2.818086E+00  4.646786E+00
   11.1250  2.820247E+00  4.675667E+00
   11.1750  3.068813E+00  4.707376E+00
   11.2250  2.674303E+00  4.735257E+00
   11.2750  2.548324E+00  4.762062E+00
   11.3250  2.345484E+00  4.786952E+00
   11.3750  2.469021E+00  4.813386E+00
   11.4250  2.509625E+00  4.840490E+00
   11.4750  2.414812E+00  4.866800E+00
   11.5250  2.661675E+00  4.896052E+00
   11.5750  2.271894E+00  4.921238E+00
   11.6250  2.440624E+00  4.948529E+00
   11.6750  2.418076E+00  4.975800E+00
   11.7250  2.310421E+00  5.002081E+00
   11.7750  2.327784E+00  5.028786E+00
   11.8250  2.025796E+00  5.052224E+00
   11.8750  1.954901E+00  5.075033E+00
   11.9250  1.927210E+00  5.097710E+00
   11.9750  1.683996E+00  5.117690E+00
   12.0250  1.726537E+00  5.138348E+00
   12.0750  1.538594E+00  5.156910E+00
   12.1250  1.459382E+00  5.174662E+00
   12.1750  1.364721E+00  5.191400E+00
   12.2250  1.357431E+00  5.208186E+00
   12.2750  1.344104E+00  5.224943E+00
   12.3250  1.301396E+00  5.241300E+00
   12.3750  1.258957E+00  5.257252E+00
   12.4250  1.204110E+00  5.272633E+00
   12.4750  1.164893E+00  5.287633E+00
   12.5250  1.124428E+00  5.302229E+00
   12.5750  1.016874E+00  5.315533E+00
   12.6250  9.149564E-01  5.327600E+00
   12.6750  8.966470E-01  5.339519E+00
   12.7250  8.985000E-01  5.351557E+00
   12.7750  8.280048E-01  5.362738E+00
   12.8250  8.918908E-01  5.374876E+00
   12.8750  8.905319E-01  5.387090E+00
   12.9250  8.798657E-01  5.399252E+00
   12.9750  8.307075E-01  5.410824E+00
   13.0250  7.632796E-01  5.421538E+00
   13.0750  7.052730E-01  5.431514E+00
   13.1250  8.592686E-01  5.443762E+00
   13.1750  7.881058E-01  5.455081E+00
   13.2250  7.127278E-01  5.465395E+00
   13.2750  5.656339E-01  5.473643E+00
   13.3250  5.435697E-01  5.481629E+00
   13.3750  4.732403E-01  5.488633E+00
   13.4250  5.243258E-01  5.496452E+00
   13.4750  5.026923E-01  5.504005E+00
   13.5250  4.656331E-01  5.511052E+00
   13.5750  3.813227E-01  5.516867E+00
   13.6250  3.546579E-01  5.522314E+00
   13.6750  3.360660E-01  5.527514E+00
   13.7250  2.419676E-01  5.531286E+00
   13.7750  2.951116E-01  5.535919E+00
   13.8250  2.381787E-01  5.539686E+00
   13.8750  1.793667E-01  5.542543E+00
   13.9250  1.828298E-01  5.545476E+00
   13.9750  1.308386E-01  5.547590E+00
   14.0250  1.398553E-01  5.549867E+00
   14.0750  1.510648E-01  5.552343E+00
   14.1250  2.062461E-01  5.555748E+00
   14.1750  1.844575E-01  5.558814E+00
   14.2250  1.501710E-01  5.561329E+00
   14.2750  1.335874E-01  5.563581E+00
   14.3250  1.191945E-01  5.565605E+00
   14.3750  8.773069E-02  5.567105E+00
   14.4250  8.961280E-02  5.568648E+00
   14.4750  9.256557E-02  5.570252E+00
   14.5250  3.164335E-02  5.570805E+00
   14.5750  2.004801E-02  5.571157E+00
   14.6250  9.148373E-03  5.571319E+00
   14.6750  6.146506E-03  5.571429E+00
   14.7250  0.000000E+00  5.571429E+00
   14.7750  0.000000E+00  5.571429E+00
   14.8250  0.000000E+00  5.571429E+00
   14.8750  0.000000E+00  5.571429E+00
   14.9250  0.000000E+00  5.571429E+00
   14.9750  0.000000E+00  5.571429E+00
   15.0250  0.000000E+00  5.571429E+00
   15.0750  0.000000E+00  5.571429E+00
   15.1250  0.000000E+00  5.571429E+00
   15.1750  0.000000E+00  5.571429E+00
   15.2250  0.000000E+00  5.571429E+00
   15.2750  0.000000E+00  5.571429E+00
   15.3250  0.000000E+00  5.571429E+00
   15.3750  0.000000E+00  5.571429E+00
   15.4250  0.000000E+00  5.571429E+00
   15.4750  0.000000E+00  5.571429E+00
   15.5250  0.000000E+00  5.571429E+00
   15.5750  0.000000E+00  5.571429E+00
   15.6250  0.000000E+00  5.571429E+00
   15.6750  0.000000E+00  5.571429E+00
   15.7250  0.000000E+00  5.571429E+00
   15.7750  0.000000E+00  5.571429E+00
   15.8250  0.000000E+00  5.571429E+00
   15.8750  0.000000E+00  5.571429E+00
   15.9250  0.000000E+00  5.571429E+00
   15.9750  0.000000E+00  5.571429E+00

g(r)  :CT      K       

        r      g(r)         n(r)

    3.1750  0.000000E+00  0.000000E+00
    3.2250  0.000000E+00  0.000000E+00
    3.2750  2.253592E-01  3.333333E-05
    3.3250  4.372652E-01  1.000000E-04
    3.3750  2.728321E-01  1.428571E-04
    3.4250  5.592849E-01  2.333333E-04
    3.4750  1.915870E+00  5.523810E-04
    3.5250  1.945275E+00  8.857143E-04
    3.5750  5.754781E+00  1.900000E-03
    3.6250  3.941638E+00  2.614286E-03
    3.6750  3.681709E+00  3.300000E-03
    3.7250  3.956821E+00  4.057143E-03
    3.7750  3.780008E+00  4.800000E-03
    3.8250  6.183589E+00  6.047619E-03
    3.8750  4.047358E+00  6.885714E-03
    3.9250  5.917348E+00  8.142857E-03
    3.9750  1.219446E+01  1.080000E-02
    4.0250  1.366246E+01  1.385238E-02
    4.0750  1.291336E+01  1.680952E-02
    4.1250  1.268339E+01  1.978571E-02
    4.1750  1.592745E+01  2.361429E-02
    4.2250  2.000186E+01  2.853810E-02
    4.2750  1.655142E+01  3.270952E-02
    4.3250  1.583867E+01  3.679524E-02
    4.3750  1.939349E+01  4.191429E-02
    4.4250  1.844628E+01  4.689524E-02
    4.4750  1.717422E+01  5.163810E-02
    4.5250  1.565002E+01  5.605714E-02
    4.5750  1.836188E+01  6.135714E-02
    4.6250  1.909701E+01  6.699048E-02
    4.6750  2.027065E+01  7.310000E-02
    4.7250  2.191647E+01  7.984762E-02
    4.7750  2.668478E+01  8.823810E-02
    4.8250  2.957570E+01  9.773333E-02
    4.8750  3.007639E+01  1.075905E-01
    4.9250  3.275735E+01  1.185476E-01
    4.9750  3.518549E+01  1.305571E-01
    5.0250  3.600672E+01  1.430952E-01
    5.0750  4.136071E+01  1.577857E-01
    5.1250  3.861190E+01  1.717714E-01
    5.1750  3.914588E+01  1.862286E-01
    5.2250  3.664215E+01  2.000238E-01
    5.2750  3.207899E+01  2.123333E-01
    5.3250  2.855675E+01  2.235000E-01
    5.3750  2.722714E+01  2.343476E-01
    5.4250  2.561295E+01  2.447429E-01
    5.4750  2.452521E+01  2.548810E-01
    5.5250  2.162862E+01  2.639857E-01
    5.5750  2.040915E+01  2.727333E-01
    5.6250  1.897842E+01  2.810143E-01
    5.6750  2.251610E+01  2.910143E-01
    5.7250  2.148186E+01  3.007238E-01
    5.7750  2.041778E+01  3.101143E-01
    5.8250  1.827764E+01  3.186667E-01
    5.8750  1.430626E+01  3.254762E-01
    5.9250  1.187234E+01  3.312238E-01
    5.9750  1.314466E+01  3.376952E-01
    6.0250  1.569552E+01  3.455524E-01
    6.0750  1.584991E+01  3.536190E-01
    6.1250  1.631934E+01  3.620619E-01
    6.1750  1.440795E+01  3.696381E-01
    6.2250  1.450714E+01  3.773905E-01
    6.2750  1.503105E+01  3.855524E-01
    6.3250  1.349100E+01  3.929952E-01
    6.3750  1.539586E+01  4.016238E-01
    6.4250  1.503170E+01  4.101810E-01
    6.4750  1.642298E+01  4.196762E-01
    6.5250  1.764024E+01  4.300333E-01
    6.5750  1.423385E+01  4.385190E-01
    6.6250  1.537302E+01  4.478238E-01
    6.6750  1.260931E+01  4.555714E-01
    6.7250  1.408699E+01  4.643571E-01
    6.7750  1.309745E+01  4.726476E-01
    6.8250  1.303968E+01  4.810238E-01
    6.8750  9.906512E+00  4.874810E-01
    6.9250  7.999834E+00  4.927714E-01
    6.9750  1.022070E+01  4.996286E-01
    7.0250  1.358124E+01  5.088714E-01
    7.0750  1.325199E+01  5.180190E-01
    7.1250  1.031184E+01  5.252381E-01
    7.1750  1.354922E+01  5.348571E-01
    7.2250  1.085524E+01  5.426714E-01
    7.2750  1.298356E+01  5.521476E-01
    7.3250  1.141682E+01  5.605952E-01
    7.3750  1.218944E+01  5.697381E-01
    7.4250  1.247680E+01  5.792238E-01
    7.4750  1.196437E+01  5.884429E-01
    7.5250  1.257426E+01  5.982619E-01
    7.5750  1.401558E+01  6.093524E-01
    7.6250  1.433126E+01  6.208429E-01
    7.6750  1.206998E+01  6.306476E-01
    7.7250  1.085532E+01  6.395810E-01
    7.7750  1.076756E+01  6.485571E-01
    7.8250  8.431006E+00  6.556762E-01
    7.8750  9.070409E+00  6.634333E-01
    7.9250  7.823720E+00  6.702095E-01
    7.9750  7.139558E+00  6.764714E-01
    8.0250  7.115212E+00  6.827905E-01
    8.0750  7.212719E+00  6.892762E-01
    8.1250  7.281142E+00  6.959048E-01
    8.1750  6.949504E+00  7.023095E-01
    8.2250  8.268948E+00  7.100238E-01
    8.2750  8.724030E+00  7.182619E-01
    8.3250  8.654429E+00  7.265333E-01
    8.3750  8.177247E+00  7.344429E-01
    8.4250  7.851829E+00  7.421286E-01
    8.4750  7.591190E+00  7.496476E-01
    8.5250  8.866046E+00  7.585333E-01
    8.5750  8.105498E+00  7.667524E-01
    8.6250  6.688873E+00  7.736143E-01
    8.6750  6.754233E+00  7.806238E-01
    8.7250  7.094358E+00  7.880714E-01
    8.7750  6.439726E+00  7.949095E-01
    8.8250  6.969961E+00  8.023952E-01
    8.8750  8.281375E+00  8.113905E-01
    8.9250  9.905514E+00  8.222714E-01
    8.9750  9.195294E+00  8.324857E-01
    9.0250  7.906635E+00  8.413667E-01
    9.0750  8.155181E+00  8.506286E-01
    9.1250  7.655494E+00  8.594190E-01
    9.1750  6.944678E+00  8.674810E-01
    9.2250  6.325876E+00  8.749048E-01
    9.2750  5.980889E+00  8.820000E-01
    9.3250  5.408624E+00  8.884857E-01
    9.3750  5.842191E+00  8.955667E-01
    9.4250  4.800778E+00  9.014476E-01
    9.4750  5.273348E+00  9.079762E-01
    9.5250  4.552066E+00  9.136714E-01
    9.5750  4.659073E+00  9.195619E-01
    9.6250  3.783310E+00  9.243952E-01
    9.6750  3.567237E+00  9.290000E-01
    9.7250  3.581766E+00  9.336714E-01
    9.7750  3.509079E+00  9.382952E-01
    9.8250  3.648736E+00  9.431524E-01
    9.8750  4.677740E+00  9.494429E-01
    9.9250  4.686815E+00  9.558095E-01
    9.9750  4.216557E+00  9.615952E-01
   10.0250  3.480552E+00  9.664190E-01
   10.0750  4.000596E+00  9.720190E-01
   10.1250  3.119094E+00  9.764286E-01
   10.1750  2.534850E+00  9.800476E-01
   10.2250  1.971765E+00  9.828905E-01
   10.2750  2.161948E+00  9.860381E-01
   10.3250  2.053604E+00  9.890571E-01
   10.3750  1.199784E+00  9.908381E-01
   10.4250  9.722475E-01  9.922952E-01
   10.4750  6.734623E-01  9.933143E-01
   10.5250  4.426411E-01  9.939905E-01
   10.5750  4.631675E-01  9.947048E-01
   10.6250  4.312894E-01  9.953762E-01
   10.6750  1.818122E-01  9.956619E-01
   10.7250  4.232842E-01  9.963333E-01
   10.7750  7.376065E-01  9.975143E-01
   10.8250  4.037127E-01  9.981667E-01
   10.8750  5.839546E-02  9.982619E-01
   10.9250  4.050352E-02  9.983286E-01
   10.9750  4.300212E-02  9.984000E-01
   11.0250  4.829469E-02  9.984810E-01
   11.0750  3.941379E-02  9.985476E-01
   11.1250  3.627028E-02  9.986095E-01
   11.1750  1.106044E-01  9.988000E-01
   11.2250  2.384263E-01  9.992143E-01
   11.2750  1.629768E-01  9.995000E-01
   11.3250  1.023092E-01  9.996810E-01
   11.3750  2.935605E-02  9.997333E-01
   11.4250  2.909966E-02  9.997857E-01
   11.4750  3.409146E-02  9.998476E-01
   11.5250  4.159545E-02  9.999238E-01
   11.5750  4.123687E-02  1.000000E+00
   11.6250  0.000000E+00  1.000000E+00
   11.6750  0.000000E+00  1.000000E+00
   11.7250  0.000000E+00  1.000000E+00
   11.7750  0.000000E+00  1.000000E+00
   11.8250  0.000000E+00  1.000000E+00
   11.8750  0.000000E+00  1.000000E+00
   11.9250  0.000000E+00  1.000000E+00
   11.9750  0.000000E+00  1.000000E+00
   12.0250  0.000000E+00  1.000000E+00
   12.0750  0.000000E+00  1.000000E+00
   12.1250  0.000000E+00  1.000000E+00
   12.1750  0.000000E+00  1.000000E+00
   12.2250  0.000000E+00  1.000000E+00
   12.2750  0.000000E+00  1.000000E+00
   12.3250  0.000000E+00  1.000000E+00
   12.3750  0.000000E+00  1.000000E+00
   12.4250  0.000000E+00  1.000000E+00
   12.4750  0.000000E+00  1.000000E+00
   12.5250  0.000000E+00  1.000000E+00
   12.5750  0.000000E+00  1.000000E+00
   12.6250  0.000000E+00  1.000000E+00
   12.6750  0.000000E+00  1.000000E+00
   12.7250  0.000000E+00  1.000000E+00
   12.7750  0.000000E+00  1.000000E+00
   12.8250  0.000000E+00  1.000000E+00
   12.8750  0.000000E+00  1.000000E+00
   12.9250  0.000000E+00  1.000000E+00
   12.9750  0.000000E+00  1.000000E+00
   13.0250  0.000000E+00  1.000000E+00
   13.0750  0.000000E+00  1.000000E+00
   13.1250  0.000000E+00  1.000000E+00
   13.1750  0.000000E+00  1.000000E+00
   13.2250  0.000000E+00  1.000000E+00
   13.2750  0.000000E+00  1.000000E+00
   13.3250  0.000000E+00  1.000000E+00
   13.3750  0.000000E+00  1.000000E+00
   13.4250  0.000000E+00  1.000000E+00
   13.4750  0.000000E+00  1.000000E+00
   13.5250  0.000000E+00  1.000000E+00
   13.5750  0.000000E+00  1.000000E+00
   13.6250  0.000000E+00  1.000000E+00
   13.6750  0.000000E+00  1.000000E+00
   13.7250  0.000000E+00  1.000000E+00
   13.7750  0.000000E+00  1.000000E+00
   13.8250  0.000000E+00  1.000000E+00
   13.8750  0.000000E+00  1.000000E+00
   13.9250  0.000000E+00  1.000000E+00
   13.9750  0.000000E+00  1.000000E+00
   14.0250  0.000000E+00  1.000000E+00
   14.0750  0.000000E+00  1.000000E+00
   14.1250  0.000000E+00  1.000000E+00
   14.1750  0.000000E+00  1.000000E+00
   14.2250  0.000000E+00  1.000000E+00
   14.2750  0.000000E+00  1.000000E+00
   14.3250  0.000000E+00  1.000000E+00
   14.3750  0.000000E+00  1.000000E+00
   14.4250  0.000000E+00  1.000000E+00
   14.4750  0.000000E+00  1.000000E+00
   14.5250  0.000000E+00  1.000000E+00
   14.5750  0.000000E+00  1.000000E+00
   14.6250  0.000000E+00  1.000000E+00
   14.6750  0.000000E+00  1.000000E+00
   14.7250  0.000000E+00  1.000000E+00
   14.7750  0.000000E+00  1.000000E+00
   14.8250  0.000000E+00  1.000000E+00
   14.8750  0.000000E+00  1.000000E+00
   14.9250  0.000000E+00  1.000000E+00
   14.9750  0.000000E+00  1.000000E+00
   15.0250  0.000000E+00  1.000000E+00
   15.0750  0.000000E+00  1.000000E+00
   15.1250  0.000000E+00  1.000000E+00
   15.1750  0.000000E+00  1.000000E+00
   15.2250  0.000000E+00  1.000000E+00
   15.2750  0.000000E+00  1.000000E+00
   15.3250  0.000000E+00  1.000000E+00
   15.3750  0.000000E+00  1.000000E+00
   15.4250  0.000000E+00  1.000000E+00
   15.4750  0.000000E+00  1.000000E+00
   15.5250  0.000000E+00  1.000000E+00
   15.5750  0.000000E+00  1.000000E+00
   15.6250  0.000000E+00  1.000000E+00
   15.6750  0.000000E+00  1.000000E+00
   15.7250  0.000000E+00  1.000000E+00
   15.7750  0.000000E+00  1.000000E+00
   15.8250  0.000000E+00  1.000000E+00
   15.8750  0.000000E+00  1.000000E+00
   15.9250  0.000000E+00  1.000000E+00
   15.9750  0.000000E+00  1.000000E+00

g(r)  :CT      OW      

        r      g(r)         n(r)

    2.8750  0.000000E+00  0.000000E+00
    2.9250  0.000000E+00  0.000000E+00
    2.9750  3.891863E-03  5.809524E-04
    3.0250  6.263503E-03  1.547619E-03
    3.0750  1.245140E-02  3.533333E-03
    3.1250  2.625176E-02  7.857143E-03
    3.1750  3.596255E-02  1.397143E-02
    3.2250  5.060107E-02  2.284762E-02
    3.2750  7.702385E-02  3.678095E-02
    3.3250  1.051153E-01  5.638095E-02
    3.3750  1.271828E-01  8.081429E-02
    3.4250  1.541361E-01  1.113095E-01
    3.4750  1.886854E-01  1.497381E-01
    3.5250  2.093653E-01  1.936143E-01
    3.5750  2.455898E-01  2.465524E-01
    3.6250  2.638502E-01  3.050286E-01
    3.6750  2.733185E-01  3.672857E-01
    3.7250  2.925033E-01  4.357381E-01
    3.7750  3.095324E-01  5.101333E-01
    3.8250  3.058930E-01  5.856143E-01
    3.8750  3.153866E-01  6.654857E-01
    3.9250  3.185455E-01  7.482524E-01
    3.9750  3.397625E-01  8.387952E-01
    4.0250  3.639290E-01  9.382333E-01
    4.0750  3.756776E-01  1.043448E+00
    4.1250  3.862718E-01  1.154300E+00
    4.1750  3.791001E-01  1.265748E+00
    4.2250  3.757797E-01  1.378881E+00
    4.2750  3.772375E-01  1.495157E+00
    4.3250  3.839163E-01  1.616276E+00
    4.3750  3.826259E-01  1.739795E+00
    4.4250  3.911871E-01  1.868981E+00
    4.4750  3.901079E-01  2.000738E+00
    4.5250  4.112089E-01  2.142743E+00
    4.5750  4.396493E-01  2.297943E+00
    4.6250  4.481725E-01  2.459629E+00
    4.6750  4.565941E-01  2.627933E+00
    4.7250  4.626005E-01  2.802119E+00
    4.7750  4.787574E-01  2.986224E+00
    4.8250  4.806626E-01  3.174952E+00
    4.8750  4.801202E-01  3.367395E+00
    4.9250  4.897208E-01  3.567733E+00
    4.9750  5.053655E-01  3.778690E+00
    5.0250  5.164137E-01  3.998614E+00
    5.0750  5.103005E-01  4.220281E+00
    5.1250  4.964685E-01  4.440210E+00
    5.1750  4.944805E-01  4.663552E+00
    5.2250  5.070079E-01  4.897000E+00
    5.2750  5.129871E-01  5.137743E+00
    5.3250  5.091143E-01  5.381219E+00
    5.3750  5.074266E-01  5.628467E+00
    5.4250  5.112403E-01  5.882229E+00
    5.4750  5.143597E-01  6.142267E+00
    5.5250  5.167280E-01  6.408295E+00
    5.5750  5.263962E-01  6.684229E+00
    5.6250  5.243345E-01  6.964033E+00
    5.6750  5.057640E-01  7.238748E+00
    5.7250  5.043165E-01  7.517524E+00
    5.7750  5.227803E-01  7.811576E+00
    5.8250  5.021528E-01  8.098938E+00
    5.8750  5.005869E-01  8.390343E+00
    5.9250  5.108330E-01  8.692795E+00
    5.9750  5.073413E-01  8.998271E+00
    6.0250  5.194739E-01  9.316310E+00
    6.0750  5.235738E-01  9.642200E+00
    6.1250  5.385795E-01  9.982971E+00
    6.1750  5.291450E-01  1.032326E+01
    6.2250  5.433754E-01  1.067839E+01
    6.2750  5.446459E-01  1.104008E+01
    6.3250  5.502195E-01  1.141132E+01
    6.3750  5.423034E-01  1.178303E+01
    6.4250  5.466722E-01  1.216364E+01
    6.4750  5.493401E-01  1.255208E+01
    6.5250  5.514380E-01  1.294804E+01
    6.5750  5.613049E-01  1.335730E+01
    6.6250  5.592008E-01  1.377124E+01
    6.6750  5.643396E-01  1.419531E+01
    6.7250  5.757384E-01  1.463446E+01
    6.7750  5.568209E-01  1.506552E+01
    6.8250  5.518563E-01  1.549906E+01
    6.8750  5.588940E-01  1.594459E+01
    6.9250  5.482855E-01  1.638804E+01
    6.9750  5.604113E-01  1.684787E+01
    7.0250  5.763999E-01  1.732762E+01
    7.0750  5.792865E-01  1.781667E+01
    7.1250  5.773027E-01  1.831095E+01
    7.1750  5.831331E-01  1.881725E+01
    7.2250  5.851342E-01  1.933240E+01
    7.2750  5.870254E-01  1.985639E+01
    7.3250  5.901104E-01  2.039040E+01
    7.3750  6.062278E-01  2.094651E+01
    7.4250  6.197694E-01  2.152278E+01
    7.4750  6.241792E-01  2.211099E+01
    7.5250  6.283475E-01  2.271107E+01
    7.5750  6.300588E-01  2.332081E+01
    7.6250  6.208176E-01  2.392957E+01
    7.6750  6.290232E-01  2.455449E+01
    7.7250  6.331421E-01  2.519172E+01
    7.7750  6.351324E-01  2.583926E+01
    7.8250  6.400405E-01  2.650022E+01
    7.8750  6.470496E-01  2.717699E+01
    7.9250  6.385466E-01  2.785337E+01
    7.9750  6.360297E-01  2.853561E+01
    8.0250  6.353145E-01  2.922566E+01
    8.0750  6.456489E-01  2.993570E+01
    8.1250  6.503354E-01  3.065978E+01
    8.1750  6.603092E-01  3.140403E+01
    8.2250  6.755274E-01  3.217479E+01
    8.2750  6.773587E-01  3.295705E+01
    8.3250  6.732718E-01  3.374402E+01
    8.3750  6.728044E-01  3.453992E+01
    8.4250  6.850773E-01  3.536005E+01
    8.4750  6.866328E-01  3.619182E+01
    8.5250  7.010264E-01  3.705108E+01
    8.5750  6.847422E-01  3.790025E+01
    8.6250  6.881632E-01  3.876364E+01
    8.6750  7.064936E-01  3.966034E+01
    8.7250  7.200277E-01  4.058479E+01
    8.7750  7.179876E-01  4.151720E+01
    8.8250  7.204137E-01  4.246347E+01
    8.8750  7.202377E-01  4.342025E+01
    8.9250  7.221401E-01  4.439040E+01
    8.9750  7.207412E-01  4.536954E+01
    9.0250  7.290523E-01  4.637105E+01
    9.0750  7.276645E-01  4.738175E+01
    9.1250  7.220957E-01  4.839580E+01
    9.1750  7.294273E-01  4.943141E+01
    9.2250  7.292489E-01  5.047808E+01
    9.2750  7.463451E-01  5.156092E+01
    9.3250  7.464154E-01  5.265558E+01
    9.3750  7.355130E-01  5.374585E+01
    9.4250  7.362991E-01  5.484895E+01
    9.4750  7.476860E-01  5.598103E+01
    9.5250  7.521932E-01  5.713199E+01
    9.5750  7.488142E-01  5.828984E+01
    9.6250  7.510877E-01  5.946336E+01
    9.6750  7.582634E-01  6.066044E+01
    9.7250  7.676644E-01  6.188491E+01
    9.7750  7.795671E-01  6.314120E+01
    9.8250  7.881553E-01  6.442434E+01
    9.8750  7.900067E-01  6.572363E+01
    9.9250  7.928700E-01  6.704086E+01
    9.9750  7.936756E-01  6.837275E+01
   10.0250  7.939930E-01  6.971857E+01
   10.0750  7.927519E-01  7.107571E+01
   10.1250  7.998885E-01  7.245870E+01
   10.1750  8.069451E-01  7.386771E+01
   10.2250  8.085434E-01  7.529341E+01
   10.2750  8.074355E-01  7.673112E+01
   10.3250  8.088829E-01  7.818546E+01
   10.3750  8.012049E-01  7.963998E+01
   10.4250  8.054131E-01  8.111627E+01
   10.4750  8.129836E-01  8.262076E+01
   10.5250  8.045308E-01  8.412385E+01
   10.5750  8.101758E-01  8.565191E+01
   10.6250  8.172097E-01  8.720784E+01
   10.6750  8.223348E-01  8.878830E+01
   10.7250  8.226064E-01  9.038413E+01
   10.7750  8.348705E-01  9.201889E+01
   10.8250  8.392788E-01  9.367757E+01
   10.8750  8.433536E-01  9.535973E+01
   10.9250  8.651365E-01  9.710124E+01
   10.9750  8.494026E-01  9.882677E+01
   11.0250  8.486564E-01  1.005665E+02
   11.0750  8.512822E-01  1.023275E+02
   11.1250  8.506989E-01  1.041033E+02
   11.1750  8.546907E-01  1.059034E+02
   11.2250  8.595525E-01  1.077300E+02
   11.2750  8.573673E-01  1.095682E+02
   11.3250  8.657716E-01  1.114410E+02
   11.3750  8.758698E-01  1.133523E+02
   11.4250  8.757283E-01  1.152802E+02
   11.4750  8.694363E-01  1.172110E+02
   11.5250  8.787634E-01  1.191796E+02
   11.5750  8.761465E-01  1.211594E+02
   11.6250  8.815753E-01  1.231687E+02
   11.6750  8.734874E-01  1.251767E+02
   11.7250  8.846342E-01  1.272278E+02
   11.7750  8.836884E-01  1.292943E+02
   11.8250  8.919607E-01  1.313978E+02
   11.8750  9.031921E-01  1.335459E+02
   11.9250  9.066971E-01  1.357204E+02
   11.9750  9.130696E-01  1.379287E+02
   12.0250  9.119436E-01  1.401527E+02
   12.0750  9.063879E-01  1.423816E+02
   12.1250  9.060819E-01  1.446283E+02
   12.1750  9.134952E-01  1.469120E+02
   12.2250  9.210574E-01  1.492336E+02
   12.2750  9.171839E-01  1.515643E+02
   12.3250  9.196363E-01  1.539204E+02
   12.3750  9.264478E-01  1.563132E+02
   12.4250  9.267299E-01  1.587262E+02
   12.4750  9.266167E-01  1.611583E+02
   12.5250  9.226853E-01  1.635995E+02
   12.5750  9.283754E-01  1.660754E+02
   12.6250  9.340723E-01  1.685864E+02
   12.6750  9.367050E-01  1.711244E+02
   12.7250  9.412398E-01  1.736949E+02
   12.7750  9.375679E-01  1.762755E+02
   12.8250  9.338800E-01  1.788662E+02
   12.8750  9.423858E-01  1.815008E+02
   12.9250  9.408349E-01  1.841516E+02
   12.9750  9.529317E-01  1.868573E+02
   13.0250  9.430283E-01  1.895555E+02
   13.0750  9.445615E-01  1.922789E+02
   13.1250  9.662088E-01  1.950861E+02
   13.1750  9.669814E-01  1.979169E+02
   13.2250  9.768841E-01  2.007985E+02
   13.2750  9.679594E-01  2.036754E+02
   13.3250  9.629144E-01  2.065590E+02
   13.3750  9.649143E-01  2.094702E+02
   13.4250  9.637371E-01  2.123996E+02
   13.4750  9.744681E-01  2.153838E+02
   13.5250  9.690824E-01  2.183736E+02
   13.5750  9.762656E-01  2.214078E+02
   13.6250  9.766984E-01  2.244657E+02
   13.6750  9.785300E-01  2.275520E+02
   13.7250  9.793334E-01  2.306634E+02
   13.7750  9.809251E-01  2.338026E+02
   13.8250  9.864317E-01  2.369823E+02
   13.8750  9.879573E-01  2.401901E+02
   13.9250  9.896249E-01  2.434265E+02
   13.9750  9.883043E-01  2.466818E+02
   14.0250  9.954491E-01  2.499842E+02
   14.0750  9.946061E-01  2.533073E+02
   14.1250  1.004686E+00  2.566880E+02
   14.1750  9.980312E-01  2.600701E+02
   14.2250  9.951200E-01  2.634662E+02
   14.2750  9.973489E-01  2.668939E+02
   14.3250  9.994551E-01  2.703529E+02
   14.3750  1.012032E+00  2.738799E+02
   14.4250  1.014328E+00  2.774396E+02
   14.4750  1.008188E+00  2.810023E+02
   14.5250  1.009256E+00  2.845934E+02
   14.5750  1.011360E+00  2.882169E+02
   14.6250  1.008993E+00  2.918567E+02
   14.6750  1.015361E+00  2.955445E+02
   14.7250  1.012361E+00  2.992466E+02
   14.7750  1.013500E+00  3.029781E+02
   14.8250  1.017092E+00  3.067481E+02
   14.8750  1.017828E+00  3.105464E+02
   14.9250  1.024252E+00  3.143944E+02
   14.9750  1.030028E+00  3.182901E+02
   15.0250  1.032361E+00  3.222207E+02
   15.0750  1.032779E+00  3.261791E+02
   15.1250  1.033715E+00  3.301674E+02
   15.1750  1.032392E+00  3.341770E+02
   15.2250  1.030126E+00  3.382043E+02
   15.2750  1.033267E+00  3.422703E+02
   15.3250  1.025852E+00  3.463337E+02
   15.3750  1.037664E+00  3.504707E+02
   15.4250  1.042150E+00  3.546526E+02
   15.4750  1.040354E+00  3.588545E+02
   15.5250  1.041058E+00  3.630864E+02
   15.5750  1.043387E+00  3.673552E+02
   15.6250  1.048964E+00  3.716743E+02
   15.6750  1.035564E+00  3.759657E+02
   15.7250  1.044179E+00  3.803203E+02
   15.7750  1.045545E+00  3.847085E+02
   15.8250  1.051143E+00  3.891481E+02
   15.8750  1.044910E+00  3.935894E+02
   15.9250  1.054225E+00  3.980985E+02
   15.9750  1.050736E+00  4.026209E+02

g(r)  :CT      HW      

        r      g(r)         n(r)

    2.1250  0.000000E+00  0.000000E+00
    2.1750  0.000000E+00  0.000000E+00
    2.2250  5.132703E-04  8.571429E-05
    2.2750  1.691077E-03  3.809524E-04
    2.3250  2.089196E-03  7.619048E-04
    2.3750  3.278536E-03  1.385714E-03
    2.4250  4.777120E-03  2.333333E-03
    2.4750  5.346564E-03  3.438095E-03
    2.5250  7.506106E-03  5.052381E-03
    2.5750  9.942617E-03  7.276190E-03
    2.6250  1.231274E-02  1.013810E-02
    2.6750  1.333639E-02  1.335714E-02
    2.7250  1.745217E-02  1.772857E-02
    2.7750  2.264025E-02  2.360952E-02
    2.8250  3.063738E-02  3.185714E-02
    2.8750  4.064829E-02  4.319048E-02
    2.9250  4.684411E-02  5.670952E-02
    2.9750  5.485294E-02  7.308571E-02
    3.0250  6.715525E-02  9.381429E-02
    3.0750  7.991888E-02  1.193048E-01
    3.1250  9.332675E-02  1.500476E-01
    3.1750  1.113047E-01  1.878952E-01
    3.2250  1.229465E-01  2.310286E-01
    3.2750  1.474799E-01  2.843857E-01
    3.3250  1.580304E-01  3.433190E-01
    3.3750  1.748609E-01  4.105048E-01
    3.4250  1.905882E-01  4.859190E-01
    3.4750  1.990900E-01  5.670143E-01
    3.5250  2.181589E-01  6.584524E-01
    3.5750  2.398682E-01  7.618619E-01
    3.6250  2.473810E-01  8.715143E-01
    3.6750  2.588519E-01  9.894381E-01
    3.7250  2.661627E-01  1.114014E+00
    3.7750  2.811607E-01  1.249167E+00
    3.8250  2.991483E-01  1.396800E+00
    3.8750  3.060696E-01  1.551824E+00
    3.9250  3.111230E-01  1.713500E+00
    3.9750  3.227690E-01  1.885529E+00
    4.0250  3.315829E-01  2.066729E+00
    4.0750  3.401076E-01  2.257233E+00
    4.1250  3.526624E-01  2.459648E+00
    4.1750  3.626995E-01  2.672900E+00
    4.2250  3.612439E-01  2.890414E+00
    4.2750  3.729272E-01  3.120310E+00
    4.3250  3.860522E-01  3.363895E+00
    4.3750  3.995969E-01  3.621890E+00
    4.4250  4.136888E-01  3.895124E+00
    4.4750  4.174390E-01  4.177100E+00
    4.5250  4.198962E-01  4.467110E+00
    4.5750  4.196714E-01  4.763405E+00
    4.6250  4.372236E-01  5.078876E+00
    4.6750  4.415375E-01  5.404386E+00
    4.7250  4.400326E-01  5.735762E+00
    4.7750  4.446852E-01  6.077767E+00
    4.8250  4.486633E-01  6.430095E+00
    4.8750  4.513044E-01  6.791881E+00
    4.9250  4.607305E-01  7.168838E+00
    4.9750  4.646007E-01  7.556719E+00
    5.0250  4.707254E-01  7.957652E+00
    5.0750  4.780546E-01  8.372971E+00
    5.1250  4.776998E-01  8.796200E+00
    5.1750  4.808381E-01  9.230562E+00
    5.2250  4.871926E-01  9.679210E+00
    5.2750  4.880714E-01  1.013731E+01
    5.3250  4.928890E-01  1.060874E+01
    5.3750  4.947317E-01  1.109087E+01
    5.4250  4.917414E-01  1.157903E+01
    5.4750  4.945324E-01  1.207906E+01
    5.5250  5.001946E-01  1.259410E+01
    5.5750  5.013600E-01  1.311971E+01
    5.6250  5.042923E-01  1.365793E+01
    5.6750  5.082670E-01  1.421008E+01
    5.7250  5.124701E-01  1.477665E+01
    5.7750  5.181029E-01  1.535949E+01
    5.8250  5.163655E-01  1.595048E+01
    5.8750  5.203953E-01  1.655635E+01
    5.9250  5.261182E-01  1.717936E+01
    5.9750  5.196512E-01  1.780513E+01
    6.0250  5.217762E-01  1.844403E+01
    6.0750  5.251077E-01  1.909772E+01
    6.1250  5.273468E-01  1.976505E+01
    6.1750  5.245467E-01  2.043971E+01
    6.2250  5.357941E-01  2.114005E+01
    6.2750  5.317676E-01  2.184634E+01
    6.3250  5.412069E-01  2.257666E+01
    6.3750  5.437727E-01  2.332210E+01
    6.4250  5.491858E-01  2.408680E+01
    6.4750  5.456227E-01  2.485842E+01
    6.5250  5.432878E-01  2.563865E+01
    6.5750  5.457281E-01  2.643444E+01
    6.6250  5.452446E-01  2.724167E+01
    6.6750  5.461020E-01  2.806241E+01
    6.7250  5.497362E-01  2.890104E+01
    6.7750  5.459978E-01  2.974640E+01
    6.8250  5.566963E-01  3.062109E+01
    6.8750  5.616269E-01  3.151650E+01
    6.9250  5.635551E-01  3.242810E+01
    6.9750  5.589285E-01  3.334533E+01
    7.0250  5.755588E-01  3.430343E+01
    7.0750  5.748530E-01  3.527403E+01
    7.1250  5.814907E-01  3.626977E+01
    7.1750  5.853515E-01  3.728623E+01
    7.2250  5.927390E-01  3.832991E+01
    7.2750  5.942994E-01  3.939088E+01
    7.3250  5.923284E-01  4.046291E+01
    7.3750  6.010263E-01  4.156559E+01
    7.4250  6.096598E-01  4.269932E+01
    7.4750  6.077162E-01  4.384471E+01
    7.5250  6.116538E-01  4.501300E+01
    7.5750  6.129475E-01  4.619937E+01
    7.6250  6.206768E-01  4.741660E+01
    7.6750  6.259340E-01  4.866030E+01
    7.7250  6.281080E-01  4.992464E+01
    7.7750  6.330096E-01  5.121539E+01
    7.8250  6.377718E-01  5.253262E+01
    7.8750  6.385495E-01  5.386838E+01
    7.9250  6.369529E-01  5.521776E+01
    7.9750  6.410129E-01  5.659294E+01
    8.0250  6.421736E-01  5.798793E+01
    8.0750  6.484570E-01  5.941419E+01
    8.1250  6.509384E-01  6.086368E+01
    8.1750  6.562471E-01  6.234304E+01
    8.2250  6.553773E-01  6.383856E+01
    8.2750  6.608758E-01  6.536502E+01
    8.3250  6.681427E-01  6.692698E+01
    8.3750  6.728044E-01  6.851878E+01
    8.4250  6.841982E-01  7.015692E+01
    8.4750  6.811058E-01  7.180707E+01
    8.5250  6.831825E-01  7.348184E+01
    8.5750  6.863972E-01  7.518429E+01
    8.6250  6.882581E-01  7.691132E+01
    8.6750  6.951518E-01  7.867593E+01
    8.7250  6.984102E-01  8.046930E+01
    8.7750  7.043636E-01  8.229876E+01
    8.8250  7.041141E-01  8.414846E+01
    8.8750  7.079622E-01  8.602941E+01
    8.9250  7.124404E-01  8.794364E+01
    8.9750  7.099137E-01  8.987252E+01
    9.0250  7.200829E-01  9.185089E+01
    9.0750  7.247126E-01  9.386410E+01
    9.1250  7.268769E-01  9.590563E+01
    9.1750  7.321508E-01  9.798457E+01
    9.2250  7.336334E-01  1.000905E+02
    9.2750  7.419126E-01  1.022433E+02
    9.3250  7.475941E-01  1.044361E+02
    9.3750  7.532169E-01  1.066691E+02
    9.4250  7.540270E-01  1.089284E+02
    9.4750  7.590489E-01  1.112270E+02
    9.5250  7.593028E-01  1.135507E+02
    9.5750  7.649593E-01  1.159163E+02
    9.6250  7.686306E-01  1.183182E+02
    9.6750  7.709018E-01  1.207522E+02
    9.7250  7.647850E-01  1.231920E+02
    9.7750  7.712372E-01  1.256777E+02
    9.8250  7.743993E-01  1.281992E+02
    9.8750  7.693234E-01  1.307298E+02
    9.9250  7.785830E-01  1.333168E+02
    9.9750  7.828458E-01  1.359442E+02
   10.0250  7.860101E-01  1.386088E+02
   10.0750  7.930941E-01  1.413242E+02
   10.1250  7.946694E-01  1.440722E+02
   10.1750  7.925783E-01  1.468400E+02
   10.2250  7.970606E-01  1.496509E+02
   10.2750  7.966138E-01  1.524878E+02
   10.3250  7.992542E-01  1.553618E+02
   10.3750  7.980323E-01  1.582594E+02
   10.4250  7.968204E-01  1.611804E+02
   10.4750  8.036622E-01  1.641549E+02
   10.5250  8.058116E-01  1.671659E+02
   10.5750  8.093578E-01  1.702189E+02
   10.6250  8.181826E-01  1.733345E+02
   10.6750  8.240791E-01  1.765021E+02
   10.7250  8.279477E-01  1.797145E+02
   10.7750  8.293282E-01  1.829623E+02
   10.8250  8.313335E-01  1.862483E+02
   10.8750  8.353165E-01  1.895805E+02
   10.9250  8.397041E-01  1.929612E+02
   10.9750  8.398024E-01  1.963732E+02
   11.0250  8.466077E-01  1.998443E+02
   11.0750  8.555822E-01  2.033841E+02
   11.1250  8.576637E-01  2.069646E+02
   11.1750  8.606098E-01  2.105898E+02
   11.2250  8.641585E-01  2.142626E+02
   11.2750  8.693374E-01  2.179904E+02
   11.3250  8.730418E-01  2.217674E+02
   11.3750  8.721427E-01  2.255738E+02
   11.4250  8.768217E-01  2.294344E+02
   11.4750  8.806529E-01  2.333459E+02
   11.5250  8.740497E-01  2.372619E+02
   11.5750  8.739043E-01  2.412113E+02
   11.6250  8.801535E-01  2.452235E+02
   11.6750  8.872624E-01  2.493028E+02
   11.7250  8.872671E-01  2.534173E+02
   11.7750  8.957855E-01  2.576067E+02
   11.8250  8.923322E-01  2.618155E+02
   11.8750  8.900385E-01  2.660491E+02
   11.9250  8.928971E-01  2.703321E+02
   11.9750  8.946266E-01  2.746594E+02
   12.0250  9.016798E-01  2.790574E+02
   12.0750  9.049976E-01  2.835083E+02
   12.1250  9.126712E-01  2.880342E+02
   12.1750  9.210781E-01  2.926396E+02
   12.2250  9.199371E-01  2.972771E+02
   12.2750  9.178819E-01  3.019422E+02
   12.3250  9.228778E-01  3.066710E+02
   12.3750  9.225115E-01  3.114363E+02
   12.4250  9.229706E-01  3.162426E+02
   12.4750  9.263282E-01  3.211052E+02
   12.5250  9.309932E-01  3.260317E+02
   12.5750  9.307001E-01  3.309959E+02
   12.6250  9.364362E-01  3.360306E+02
   12.6750  9.376655E-01  3.411119E+02
   12.7250  9.393653E-01  3.462426E+02
   12.7750  9.395964E-01  3.514150E+02
   12.8250  9.475449E-01  3.566721E+02
   12.8750  9.485253E-01  3.619757E+02
   12.9250  9.509165E-01  3.673341E+02
   12.9750  9.541116E-01  3.727521E+02
   13.0250  9.488441E-01  3.781819E+02
   13.0750  9.537261E-01  3.836815E+02
   13.1250  9.507628E-01  3.892061E+02
   13.1750  9.577310E-01  3.948137E+02
   13.2250  9.575429E-01  4.004628E+02
   13.2750  9.612903E-01  4.061769E+02
   13.3250  9.600624E-01  4.119269E+02
   13.3750  9.627330E-01  4.177362E+02
   13.4250  9.702611E-01  4.236347E+02
   13.4750  9.744821E-01  4.296032E+02
   13.5250  9.764511E-01  4.356281E+02
   13.5750  9.805441E-01  4.417232E+02
   13.6250  9.803296E-01  4.478618E+02
   13.6750  9.834989E-01  4.540656E+02
   13.7250  9.862625E-01  4.603325E+02
   13.7750  9.844018E-01  4.666331E+02
   13.8250  9.861525E-01  4.729908E+02
   13.8750  9.897253E-01  4.794179E+02
   13.9250  9.888852E-01  4.858858E+02
   13.9750  9.925908E-01  4.924247E+02
   14.0250  9.951548E-01  4.990274E+02
   14.0750  9.956543E-01  5.056807E+02
   14.1250  9.988092E-01  5.124026E+02
   14.1750  9.968270E-01  5.191586E+02
   14.2250  1.000641E+00  5.259885E+02
   14.2750  1.003463E+00  5.328859E+02
   14.3250  1.001381E+00  5.398172E+02
   14.3750  9.997473E-01  5.467856E+02
   14.4250  1.002523E+00  5.538221E+02
   14.4750  1.006161E+00  5.609332E+02
   14.5250  1.004654E+00  5.680827E+02
   14.5750  1.010213E+00  5.753214E+02
   14.6250  1.012435E+00  5.826258E+02
   14.6750  1.014326E+00  5.899941E+02
   14.7250  1.020821E+00  5.974601E+02
   14.7750  1.019062E+00  6.049640E+02
   14.8250  1.019699E+00  6.125234E+02
   14.8750  1.020239E+00  6.201380E+02
   14.9250  1.027086E+00  6.278553E+02
   14.9750  1.025894E+00  6.356153E+02
   15.0250  1.027070E+00  6.434363E+02
   15.0750  1.028773E+00  6.513224E+02
   15.1250  1.028400E+00  6.592580E+02
   15.1750  1.026275E+00  6.672297E+02
   15.2250  1.026816E+00  6.752582E+02
   15.2750  1.029701E+00  6.833623E+02
   15.3250  1.035774E+00  6.915676E+02
   15.3750  1.036787E+00  6.998346E+02
   15.4250  1.034644E+00  7.081383E+02
   15.4750  1.033276E+00  7.164849E+02
   15.5250  1.038241E+00  7.249258E+02
   15.5750  1.038198E+00  7.334208E+02
   15.6250  1.039573E+00  7.419818E+02
   15.6750  1.040115E+00  7.506022E+02
   15.7250  1.041540E+00  7.592895E+02
   15.7750  1.043969E+00  7.680526E+02
   15.8250  1.044923E+00  7.768793E+02
   15.8750  1.048074E+00  7.857887E+02
   15.9250  1.051735E+00  7.947857E+02
   15.9750  1.054263E+00  8.038609E+02

g(r)  :C       C       

        r      g(r)         n(r)

    2.7250  0.000000E+00  0.000000E+00
    2.7750  0.000000E+00  0.000000E+00
    2.8250  3.785892E-01  5.000000E-04
    2.8750  4.167107E+00  6.200000E-03
    2.9250  1.782209E+01  3.143333E-02
    2.9750  4.738291E+01  1.008333E-01
    3.0250  7.814350E+01  2.191667E-01
    3.0750  8.936292E+01  3.590000E-01
    3.1250  8.695939E+01  4.995333E-01
    3.1750  7.588985E+01  6.261333E-01
    3.2250  5.482731E+01  7.205000E-01
    3.2750  4.571037E+01  8.016333E-01
    3.3250  3.587397E+01  8.672667E-01
    3.3750  2.907177E+01  9.220667E-01
    3.4250  2.278595E+01  9.663000E-01
    3.4750  1.738104E+01  1.001033E+00
    3.5250  2.598563E+01  1.054467E+00
    3.5750  5.300208E+01  1.166567E+00
    3.6250  6.813559E+01  1.314733E+00
    3.6750  5.472068E+01  1.437033E+00
    3.7250  2.369116E+01  1.491433E+00
    3.7750  3.717412E+00  1.500200E+00
    3.8250  1.610801E+00  1.504100E+00
    3.8750  1.462185E+00  1.507733E+00
    3.9250  1.634369E+00  1.511900E+00
    3.9750  1.517023E+00  1.515867E+00
    4.0250  2.287735E+00  1.522000E+00
    4.0750  2.947615E+00  1.530100E+00
    4.1250  4.439185E+00  1.542600E+00
    4.1750  4.241047E+00  1.554833E+00
    4.2250  6.307808E+00  1.573467E+00
    4.2750  5.819450E+00  1.591067E+00
    4.3250  5.125722E+00  1.606933E+00
    4.3750  7.440185E+00  1.630500E+00
    4.4250  1.202565E+01  1.669467E+00
    4.4750  1.442393E+01  1.717267E+00
    4.5250  1.729428E+01  1.775867E+00
    4.5750  1.995940E+01  1.845000E+00
    4.6250  1.961493E+01  1.914433E+00
    4.6750  2.049711E+01  1.988567E+00
    4.7250  2.427000E+01  2.078233E+00
    4.7750  2.446231E+01  2.170533E+00
    4.8250  2.515195E+01  2.267433E+00
    4.8750  2.696099E+01  2.373467E+00
    4.9250  2.697274E+01  2.481733E+00
    4.9750  2.517186E+01  2.584833E+00
    5.0250  2.247172E+01  2.678733E+00
    5.0750  2.123339E+01  2.769233E+00
    5.1250  2.025361E+01  2.857267E+00
    5.1750  1.581759E+01  2.927367E+00
    5.2250  1.578193E+01  2.998667E+00
    5.2750  1.663516E+01  3.075267E+00
    5.3250  1.665100E+01  3.153400E+00
    5.3750  1.751398E+01  3.237133E+00
    5.4250  1.633026E+01  3.316667E+00
    5.4750  1.522026E+01  3.392167E+00
    5.5250  1.476127E+01  3.466733E+00
    5.5750  1.289691E+01  3.533067E+00
    5.6250  1.191108E+01  3.595433E+00
    5.6750  1.467925E+01  3.673667E+00
    5.7250  1.634756E+01  3.762333E+00
    5.7750  1.286465E+01  3.833333E+00
    5.8250  1.181364E+01  3.899667E+00
    5.8750  1.410534E+01  3.980233E+00
    5.9250  1.376500E+01  4.060200E+00
    5.9750  1.479379E+01  4.147600E+00
    6.0250  1.578113E+01  4.242400E+00
    6.0750  1.451271E+01  4.331033E+00
    6.1250  1.340692E+01  4.414267E+00
    6.1750  1.220284E+01  4.491267E+00
    6.2250  1.407124E+01  4.581500E+00
    6.2750  1.300894E+01  4.666267E+00
    6.3250  1.163091E+01  4.743267E+00
    6.3750  1.225211E+01  4.825667E+00
    6.4250  1.120825E+01  4.902233E+00
    6.4750  1.100699E+01  4.978600E+00
    6.5250  1.003466E+01  5.049300E+00
    6.5750  1.078655E+01  5.126467E+00
    6.6250  1.195067E+01  5.213267E+00
    6.6750  1.217014E+01  5.303000E+00
    6.7250  1.047107E+01  5.381367E+00
    6.7750  9.399918E+00  5.452767E+00
    6.8250  8.990263E+00  5.522067E+00
    6.8750  8.395452E+00  5.587733E+00
    6.9250  9.727971E+00  5.664933E+00
    6.9750  9.986474E+00  5.745333E+00
    7.0250  9.820335E+00  5.825533E+00
    7.0750  9.404359E+00  5.903433E+00
    7.1250  9.967203E+00  5.987167E+00
    7.1750  8.283244E+00  6.057733E+00
    7.2250  9.168413E+00  6.136933E+00
    7.2750  9.491917E+00  6.220067E+00
    7.3250  9.625565E+00  6.305533E+00
    7.3750  1.129164E+01  6.407167E+00
    7.4250  1.006954E+01  6.499033E+00
    7.4750  9.340467E+00  6.585400E+00
    7.5250  9.042450E+00  6.670133E+00
    7.5750  9.278024E+00  6.758233E+00
    7.6250  9.499732E+00  6.849633E+00
    7.6750  8.528317E+00  6.932767E+00
    7.7250  7.517041E+00  7.007000E+00
    7.7750  8.723535E+00  7.094267E+00
    7.8250  9.342720E+00  7.188933E+00
    7.8750  1.041974E+01  7.295867E+00
    7.9250  8.527928E+00  7.384500E+00
    7.9750  8.158461E+00  7.470367E+00
    8.0250  8.782756E+00  7.563967E+00
    8.0750  8.142994E+00  7.651833E+00
    8.1250  7.948493E+00  7.738667E+00
    8.1750  8.315723E+00  7.830633E+00
    8.2250  7.979705E+00  7.919967E+00
    8.2750  8.589556E+00  8.017300E+00
    8.3250  8.521565E+00  8.115033E+00
    8.3750  8.402888E+00  8.212567E+00
    8.4250  7.869261E+00  8.305000E+00
    8.4750  6.217420E+00  8.378900E+00
    8.5250  5.243923E+00  8.441967E+00
    8.5750  7.043001E+00  8.527667E+00
    8.6250  7.221522E+00  8.616567E+00
    8.6750  6.193674E+00  8.693700E+00
    8.7250  6.683846E+00  8.777900E+00
    8.7750  6.843330E+00  8.865100E+00
    8.8250  6.608235E+00  8.950267E+00
    8.8750  4.370482E+00  9.007233E+00
    8.9250  4.862805E+00  9.071333E+00
    8.9750  4.746258E+00  9.134600E+00
    9.0250  4.921333E+00  9.200933E+00
    9.0750  4.649571E+00  9.264300E+00
    9.1250  4.143961E+00  9.321400E+00
    9.1750  4.948374E+00  9.390333E+00
    9.2250  3.931525E+00  9.445700E+00
    9.2750  4.591704E+00  9.511067E+00
    9.3250  4.531013E+00  9.576267E+00
    9.3750  5.106188E+00  9.650533E+00
    9.4250  3.809524E+00  9.706533E+00
    9.4750  3.204011E+00  9.754133E+00
    9.5250  3.223746E+00  9.802533E+00
    9.5750  2.983640E+00  9.847800E+00
    9.6250  2.465675E+00  9.885600E+00
    9.6750  2.700636E+00  9.927433E+00
    9.7250  2.645249E+00  9.968833E+00
    9.7750  2.133395E+00  1.000257E+01
    9.8250  2.412220E+00  1.004110E+01
    9.8750  2.526251E+00  1.008187E+01
    9.9250  2.095980E+00  1.011603E+01
    9.9750  2.532537E+00  1.015773E+01
   10.0250  1.827891E+00  1.018813E+01
   10.0750  1.922906E+00  1.022043E+01
   10.1250  1.558143E+00  1.024687E+01
   10.1750  1.490336E+00  1.027240E+01
   10.2250  1.252308E+00  1.029407E+01
   10.2750  1.442389E+00  1.031927E+01
   10.3250  1.383105E+00  1.034367E+01
   10.3750  1.328637E+00  1.036733E+01
   10.4250  1.219546E+00  1.038927E+01
   10.4750  8.664795E-01  1.040500E+01
   10.5250  6.527917E-01  1.041697E+01
   10.5750  5.547717E-01  1.042723E+01
   10.6250  5.602684E-01  1.043770E+01
   10.6750  6.575542E-01  1.045010E+01
   10.7250  7.197333E-01  1.046380E+01
   10.7750  4.042460E-01  1.047157E+01
   10.8250  4.159910E-01  1.047963E+01
   10.8750  2.214161E-01  1.048397E+01
   10.9250  2.379582E-01  1.048867E+01
   10.9750  1.371290E-01  1.049140E+01
   11.0250  1.557740E-01  1.049453E+01
   11.0750  1.198836E-01  1.049697E+01
   11.1250  1.139259E-01  1.049930E+01
   11.1750  3.387261E-02  1.050000E+01
   11.2250  0.000000E+00  1.050000E+01
   11.2750  0.000000E+00  1.050000E+01
   11.3250  0.000000E+00  1.050000E+01
   11.3750  0.000000E+00  1.050000E+01
   11.4250  0.000000E+00  1.050000E+01
   11.4750  0.000000E+00  1.050000E+01
   11.5250  0.000000E+00  1.050000E+01
   11.5750  0.000000E+00  1.050000E+01
   11.6250  0.000000E+00  1.050000E+01
   11.6750  0.000000E+00  1.050000E+01
   11.7250  0.000000E+00  1.050000E+01
   11.7750  0.000000E+00  1.050000E+01
   11.8250  0.000000E+00  1.050000E+01
   11.8750  0.000000E+00  1.050000E+01
   11.9250  0.000000E+00  1.050000E+01
   11.9750  0.000000E+00  1.050000E+01
   12.0250  0.000000E+00  1.050000E+01
   12.0750  0.000000E+00  1.050000E+01
   12.1250  0.000000E+00  1.050000E+01
   12.1750  0.000000E+00  1.050000E+01
   12.2250  0.000000E+00  1.050000E+01
   12.2750  0.000000E+00  1.050000E+01
   12.3250  0.000000E+00  1.050000E+01
   12.3750  0.000000E+00  1.050000E+01
   12.4250  0.000000E+00  1.050000E+01
   12.4750  0.000000E+00  1.050000E+01
   12.5250  0.000000E+00  1.050000E+01
   12.5750  0.000000E+00  1.050000E+01
   12.6250  0.000000E+00  1.050000E+01
   12.6750  0.000000E+00  1.050000E+01
   12.7250  0.000000E+00  1.050000E+01
   12.7750  0.000000E+00  1.050000E+01
   12.8250  0.000000E+00  1.050000E+01
   12.8750  0.000000E+00  1.050000E+01
   12.9250  0.000000E+00  1.050000E+01
   12.9750  0.000000E+00  1.050000E+01
   13.0250  0.000000E+00  1.050000E+01
   13.0750  0.000000E+00  1.050000E+01
   13.1250  0.000000E+00  1.050000E+01
   13.1750  0.000000E+00  1.050000E+01
   13.2250  0.000000E+00  1.050000E+01
   13.2750  0.000000E+00  1.050000E+01
   13.3250  0.000000E+00  1.050000E+01
   13.3750  0.000000E+00  1.050000E+01
   13.4250  0.000000E+00  1.050000E+01
   13.4750  0.000000E+00  1.050000E+01
   13.5250  0.000000E+00  1.050000E+01
   13.5750  0.000000E+00  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
   14.0250  0.000000E+00  1.050000E+01
   14.0750  0.000000E+00  1.050000E+01
   14.1250  0.000000E+00  1.050000E+01
   14.1750  0.000000E+00  1.050000E+01
   14.2250  0.000000E+00  1.050000E+01
   14.2750  0.000000E+00  1.050000E+01
   14.3250  0.000000E+00  1.050000E+01
   14.3750  0.000000E+00  1.050000E+01
   14.4250  0.000000E+00  1.050000E+01
   14.4750  0.000000E+00  1.050000E+01
   14.5250  0.000000E+00  1.050000E+01
   14.5750  0.000000E+00  1.050000E+01
   14.6250  0.000000E+00  1.050000E+01
   14.6750  0.000000E+00  1.050000E+01
   14.7250  0.000000E+00  1.050000E+01
   14.7750  0.000000E+00  1.050000E+01
   14.8250  0.000000E+00  1.050000E+01
   14.8750  0.000000E+00  1.050000E+01
   14.9250  0.000000E+00  1.050000E+01
   14.9750  0.000000E+00  1.050000E+01
   15.0250  0.000000E+00  1.050000E+01
   15.0750  0.000000E+00  1.050000E+01
   15.1250  0.000000E+00  1.050000E+01
   15.1750  0.000000E+00  1.050000E+01
   15.2250  0.000000E+00  1.050000E+01
   15.2750  0.000000E+00  1.050000E+01
   15.3250  0.000000E+00  1.050000E+01
   15.3750  0.000000E+00  1.050000E+01
   15.4250  0.000000E+00  1.050000E+01
   15.4750  0.000000E+00  1.050000E+01
   15.5250  0.000000E+00  1.050000E+01
   15.5750  0.000000E+00  1.050000E+01
   15.6250  0.000000E+00  1.050000E+01
   15.6750  0.000000E+00  1.050000E+01
   15.7250  0.000000E+00  1.050000E+01
   15.7750  0.000000E+00  1.050000E+01
   15.8250  0.000000E+00  1.050000E+01
   15.8750  0.000000E+00  1.050000E+01
   15.9250  0.000000E+00  1.050000E+01
   15.9750  0.000000E+00  1.050000E+01

g(r)  :C       H       

        r      g(r)         n(r)

    1.9250  0.000000E+00  0.000000E+00
    1.9750  0.000000E+00  0.000000E+00
    2.0250  4.911940E-02  1.666667E-05
    2.0750  7.952742E-01  3.000000E-04
    2.1250  2.810139E+00  1.350000E-03
    2.1750  6.769937E+00  4.000000E-03
    2.2250  1.786123E+01  1.131667E-02
    2.2750  3.171776E+01  2.490000E-02
    2.3250  4.508664E+01  4.506667E-02
    2.3750  5.434963E+01  7.043333E-02
    2.4250  5.822845E+01  9.876667E-02
    2.4750  4.955338E+01  1.238833E-01
    2.5250  3.898552E+01  1.444500E-01
    2.5750  4.000763E+01  1.664000E-01
    2.6250  3.297331E+01  1.852000E-01
    2.6750  2.910620E+01  2.024333E-01
    2.7250  2.666450E+01  2.188167E-01
    2.7750  2.432598E+01  2.343167E-01
    2.8250  2.587026E+01  2.514000E-01
    2.8750  2.563624E+01  2.689333E-01
    2.9250  3.067660E+01  2.906500E-01
    2.9750  3.880301E+01  3.190667E-01
    3.0250  3.821327E+01  3.480000E-01
    3.0750  4.198672E+01  3.808500E-01
    3.1250  4.713050E+01  4.189333E-01
    3.1750  4.401931E+01  4.556500E-01
    3.2250  3.915959E+01  4.893500E-01
    3.2750  3.399169E+01  5.195167E-01
    3.3250  3.119159E+01  5.480500E-01
    3.3750  3.161820E+01  5.778500E-01
    3.4250  2.627167E+01  6.033500E-01
    3.4750  2.075049E+01  6.240833E-01
    3.5250  2.086307E+01  6.455333E-01
    3.5750  1.940100E+01  6.660500E-01
    3.6250  1.851694E+01  6.861833E-01
    3.6750  2.068618E+01  7.093000E-01
    3.7250  2.054105E+01  7.328833E-01
    3.7750  1.703225E+01  7.529667E-01
    3.8250  1.529573E+01  7.714833E-01
    3.8750  1.440721E+01  7.893833E-01
    3.9250  1.359795E+01  8.067167E-01
    3.9750  1.365321E+01  8.245667E-01
    4.0250  1.399994E+01  8.433333E-01
    4.0750  1.295495E+01  8.611333E-01
    4.1250  1.348328E+01  8.801167E-01
    4.1750  1.453743E+01  9.010833E-01
    4.2250  1.251406E+01  9.195667E-01
    4.2750  1.206874E+01  9.378167E-01
    4.3250  1.059603E+01  9.542167E-01
    4.3750  1.035522E+01  9.706167E-01
    4.4250  9.495016E+00  9.860000E-01
    4.4750  9.525429E+00  1.001783E+00
    4.5250  1.108683E+01  1.020567E+00
    4.5750  1.035502E+01  1.038500E+00
    4.6250  9.736840E+00  1.055733E+00
    4.6750  8.432938E+00  1.070983E+00
    4.7250  8.895993E+00  1.087417E+00
    4.7750  9.090543E+00  1.104567E+00
    4.8250  7.570677E+00  1.119150E+00
    4.8750  8.153559E+00  1.135183E+00
    4.9250  9.898861E+00  1.155050E+00
    4.9750  1.004270E+01  1.175617E+00
    5.0250  1.001136E+01  1.196533E+00
    5.0750  1.109767E+01  1.220183E+00
    5.1250  1.000027E+01  1.241917E+00
    5.1750  9.567274E+00  1.263117E+00
    5.2250  1.178295E+01  1.289733E+00
    5.2750  1.095981E+01  1.314967E+00
    5.3250  1.142980E+01  1.341783E+00
    5.3750  1.161556E+01  1.369550E+00
    5.4250  1.254542E+01  1.400100E+00
    5.4750  1.159831E+01  1.428867E+00
    5.5250  1.437854E+01  1.465183E+00
    5.5750  1.546981E+01  1.504967E+00
    5.6250  1.591539E+01  1.546633E+00
    5.6750  1.914494E+01  1.597650E+00
    5.7250  1.777337E+01  1.645850E+00
    5.7750  1.836082E+01  1.696517E+00
    5.8250  1.872373E+01  1.749083E+00
    5.8750  2.054816E+01  1.807767E+00
    5.9250  1.984133E+01  1.865400E+00
    5.9750  1.943166E+01  1.922800E+00
    6.0250  1.802845E+01  1.976950E+00
    6.0750  1.843698E+01  2.033250E+00
    6.1250  1.860969E+01  2.091017E+00
    6.1750  1.587954E+01  2.141117E+00
    6.2250  1.386332E+01  2.185567E+00
    6.2750  1.330564E+01  2.228917E+00
    6.3250  1.195316E+01  2.268483E+00
    6.3750  1.001184E+01  2.302150E+00
    6.4250  9.549212E+00  2.334767E+00
    6.4750  9.267780E+00  2.366917E+00
    6.5250  8.463936E+00  2.396733E+00
    6.5750  8.722428E+00  2.427933E+00
    6.6250  8.237886E+00  2.457850E+00
    6.6750  8.770459E+00  2.490183E+00
    6.7250  1.008804E+01  2.527933E+00
    6.7750  9.698328E+00  2.564767E+00
    6.8250  1.020540E+01  2.604100E+00
    6.8750  9.171072E+00  2.639967E+00
    6.9250  9.706970E+00  2.678483E+00
    6.9750  9.232935E+00  2.715650E+00
    7.0250  9.575439E+00  2.754750E+00
    7.0750  8.189076E+00  2.788667E+00
    7.1250  8.669721E+00  2.825083E+00
    7.1750  8.576699E+00  2.861617E+00
    7.2250  8.396661E+00  2.897883E+00
    7.2750  8.742154E+00  2.936167E+00
    7.3250  8.082622E+00  2.972050E+00
    7.3750  8.469653E+00  3.010167E+00
    7.4250  8.001561E+00  3.046667E+00
    7.4750  8.121988E+00  3.084217E+00
    7.5250  8.850360E+00  3.125683E+00
    7.5750  9.285045E+00  3.169767E+00
    7.6250  9.201783E+00  3.214033E+00
    7.6750  7.854669E+00  3.252317E+00
    7.7250  7.010729E+00  3.286933E+00
    7.7750  7.190752E+00  3.322900E+00
    7.8250  7.306402E+00  3.359917E+00
    7.8750  7.788822E+00  3.399883E+00
    7.9250  8.624144E+00  3.444700E+00
    7.9750  9.105425E+00  3.492617E+00
    8.0250  9.267559E+00  3.542000E+00
    8.0750  9.798778E+00  3.594867E+00
    8.1250  9.974520E+00  3.649350E+00
    8.1750  1.020251E+01  3.705767E+00
    8.2250  9.688791E+00  3.760000E+00
    8.2750  9.513227E+00  3.813900E+00
    8.3250  9.006934E+00  3.865550E+00
    8.3750  8.328221E+00  3.913883E+00
    8.4250  8.944793E+00  3.966417E+00
    8.4750  8.556314E+00  4.017267E+00
    8.5250  8.001694E+00  4.065383E+00
    8.5750  7.508700E+00  4.111067E+00
    8.6250  8.025719E+00  4.160467E+00
    8.6750  6.868180E+00  4.203233E+00
    8.7250  6.366324E+00  4.243333E+00
    8.7750  6.233813E+00  4.283050E+00
    8.8250  6.698759E+00  4.326217E+00
    8.8750  6.564674E+00  4.369000E+00
    8.9250  5.591088E+00  4.405850E+00
    8.9750  5.471450E+00  4.442317E+00
    9.0250  4.916387E+00  4.475450E+00
    9.0750  5.014004E+00  4.509617E+00
    9.1250  4.872118E+00  4.543183E+00
    9.1750  4.412380E+00  4.573917E+00
    9.2250  4.542201E+00  4.605900E+00
    9.2750  4.146817E+00  4.635417E+00
    9.3250  3.460804E+00  4.660317E+00
    9.3750  3.077922E+00  4.682700E+00
    9.4250  3.179139E+00  4.706067E+00
    9.4750  3.177086E+00  4.729667E+00
    9.5250  2.688675E+00  4.749850E+00
    9.5750  2.372851E+00  4.767850E+00
    9.6250  2.252592E+00  4.785117E+00
    9.6750  2.423040E+00  4.803883E+00
    9.7250  2.298087E+00  4.821867E+00
    9.7750  2.350529E+00  4.840450E+00
    9.8250  2.364226E+00  4.859333E+00
    9.8750  1.850794E+00  4.874267E+00
    9.9250  1.547958E+00  4.886883E+00
    9.9750  1.186304E+00  4.896650E+00
   10.0250  1.018167E+00  4.905117E+00
   10.0750  1.228358E+00  4.915433E+00
   10.1250  8.959816E-01  4.923033E+00
   10.1750  8.054819E-01  4.929933E+00
   10.2250  7.706509E-01  4.936600E+00
   10.2750  9.024472E-01  4.944483E+00
   10.3250  9.182913E-01  4.952583E+00
   10.3750  6.100504E-01  4.958017E+00
   10.4250  6.579616E-01  4.963933E+00
   10.4750  5.121775E-01  4.968583E+00
   10.5250  2.672991E-01  4.971033E+00
   10.5750  2.323557E-01  4.973183E+00
   10.6250  2.176839E-01  4.975217E+00
   10.6750  2.068114E-01  4.977167E+00
   10.7250  3.169628E-01  4.980183E+00
   10.7750  3.730167E-01  4.983767E+00
   10.8250  2.733164E-01  4.986417E+00
   10.8750  3.900330E-01  4.990233E+00
   10.9250  3.459676E-01  4.993650E+00
   10.9750  2.809472E-01  4.996450E+00
   11.0250  2.386326E-01  4.998850E+00
   11.0750  9.196551E-02  4.999783E+00
   11.1250  2.115767E-02  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  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  8.339464E-03  5.000000E-05
    2.3250  1.650160E-01  1.083333E-03
    2.3750  1.127395E+00  8.450000E-03
    2.4250  4.624024E+00  3.995000E-02
    2.4750  1.411348E+01  1.401000E-01
    2.5250  2.657858E+01  3.364000E-01
    2.5750  3.487811E+01  6.043000E-01
    2.6250  3.511140E+01  8.845667E-01
    2.6750  3.008539E+01  1.133950E+00
    2.7250  2.420576E+01  1.342167E+00
    2.7750  1.973730E+01  1.518233E+00
    2.8250  1.570965E+01  1.663467E+00
    2.8750  1.234118E+01  1.781633E+00
    2.9250  9.936852E+00  1.880117E+00
    2.9750  8.105228E+00  1.963217E+00
    3.0250  7.990448E+00  2.047917E+00
    3.0750  8.091810E+00  2.136550E+00
    3.1250  9.711919E+00  2.246417E+00
    3.1750  1.130384E+01  2.378417E+00
    3.2250  1.215956E+01  2.524917E+00
    3.2750  1.215867E+01  2.675983E+00
    3.3250  1.193630E+01  2.828850E+00
    3.3750  1.262732E+01  2.995467E+00
    3.4250  1.412072E+01  3.187350E+00
    3.4750  1.419626E+01  3.385933E+00
    3.5250  1.437072E+01  3.592783E+00
    3.5750  1.499260E+01  3.814750E+00
    3.6250  1.617823E+01  4.061017E+00
    3.6750  1.573036E+01  4.307117E+00
    3.7250  1.590816E+01  4.562817E+00
    3.7750  1.671321E+01  4.838717E+00
    3.8250  1.936010E+01  5.166833E+00
    3.8750  2.131858E+01  5.537650E+00
    3.9250  2.332571E+01  5.953917E+00
    3.9750  2.480506E+01  6.407933E+00
    4.0250  2.452565E+01  6.868200E+00
    4.0750  2.444562E+01  7.338433E+00
    4.1250  2.412464E+01  7.813950E+00
    4.1750  2.233937E+01  8.265017E+00
    4.2250  1.807551E+01  8.638783E+00
    4.2750  1.457224E+01  8.947283E+00
    4.3250  1.243511E+01  9.216733E+00
    4.3750  1.233366E+01  9.490200E+00
    4.4250  1.250253E+01  9.773783E+00
    4.4750  1.240792E+01  1.006162E+01
    4.5250  1.352091E+01  1.038232E+01
    4.5750  1.665987E+01  1.078625E+01
    4.6250  1.779011E+01  1.122707E+01
    4.6750  1.573029E+01  1.162532E+01
    4.7250  1.315710E+01  1.196558E+01
    4.7750  1.273913E+01  1.230205E+01
    4.8250  1.359879E+01  1.266878E+01
    4.8750  1.452058E+01  1.306853E+01
    4.9250  1.516149E+01  1.349453E+01
    4.9750  1.602612E+01  1.395402E+01
    5.0250  1.656690E+01  1.443860E+01
    5.0750  1.667165E+01  1.493600E+01
    5.1250  1.589931E+01  1.541975E+01
    5.1750  1.495155E+01  1.588358E+01
    5.2250  1.345306E+01  1.630903E+01
    5.2750  1.213200E+01  1.670008E+01
    5.3250  1.133796E+01  1.707250E+01
    5.3750  1.100450E+01  1.744078E+01
    5.4250  1.081041E+01  1.780933E+01
    5.4750  1.077946E+01  1.818363E+01
    5.5250  1.101321E+01  1.857307E+01
    5.5750  1.185303E+01  1.899982E+01
    5.6250  1.284690E+01  1.947068E+01
    5.6750  1.417085E+01  1.999935E+01
    5.7250  1.471852E+01  2.055817E+01
    5.7750  1.349020E+01  2.107933E+01
    5.8250  1.219400E+01  2.155862E+01
    5.8750  1.123033E+01  2.200763E+01
    5.9250  1.062396E+01  2.243967E+01
    5.9750  1.062745E+01  2.287917E+01
    6.0250  1.067295E+01  2.332797E+01
    6.0750  1.015180E+01  2.376197E+01
    6.1250  9.900828E+00  2.419223E+01
    6.1750  9.872828E+00  2.462832E+01
    6.2250  9.764991E+00  2.506665E+01
    6.2750  9.913641E+00  2.551883E+01
    6.3250  9.688112E+00  2.596780E+01
    6.3750  9.603296E+00  2.641990E+01
    6.4250  9.719995E+00  2.688470E+01
    6.4750  9.317883E+00  2.733723E+01
    6.5250  8.967122E+00  2.777948E+01
    6.5750  8.592963E+00  2.820980E+01
    6.6250  8.369994E+00  2.863535E+01
    6.6750  8.392968E+00  2.906853E+01
    6.7250  8.461737E+00  2.951183E+01
    6.7750  8.061775E+00  2.994048E+01
    6.8250  8.416055E+00  3.039460E+01
    6.8750  8.181761E+00  3.084257E+01
    6.9250  8.475072E+00  3.131337E+01
    6.9750  8.828957E+00  3.181093E+01
    7.0250  8.985356E+00  3.232460E+01
    7.0750  9.120084E+00  3.285342E+01
    7.1250  8.956822E+00  3.338013E+01
    7.1750  9.114978E+00  3.392370E+01
    7.2250  8.737059E+00  3.445202E+01
    7.2750  8.515975E+00  3.497412E+01
    7.3250  8.077795E+00  3.547618E+01
    7.3750  7.991387E+00  3.597968E+01
    7.4250  7.758070E+00  3.647513E+01
    7.4750  7.657463E+00  3.697077E+01
    7.5250  7.780146E+00  3.748110E+01
    7.5750  8.063671E+00  3.801708E+01
    7.6250  8.061706E+00  3.856003E+01
    7.6750  8.200042E+00  3.911957E+01
    7.7250  7.672310E+00  3.964993E+01
    7.7750  7.439472E+00  4.017088E+01
    7.8250  6.894251E+00  4.065988E+01
    7.8750  6.741790E+00  4.114420E+01
    7.9250  6.446001E+00  4.161317E+01
    7.9750  6.431936E+00  4.208703E+01
    8.0250  6.579917E+00  4.257790E+01
    8.0750  6.464484E+00  4.306618E+01
    8.1250  6.402384E+00  4.355578E+01
    8.1750  6.289430E+00  4.404268E+01
    8.2250  6.375469E+00  4.454230E+01
    8.2750  6.351817E+00  4.504613E+01
    8.3250  6.051332E+00  4.553195E+01
    8.3750  6.037960E+00  4.602253E+01
    8.4250  5.981101E+00  4.651432E+01
    8.4750  5.840224E+00  4.700023E+01
    8.5250  5.781619E+00  4.748697E+01
    8.5750  5.736111E+00  4.797555E+01
    8.6250  5.664576E+00  4.846368E+01
    8.6750  5.460666E+00  4.893972E+01
    8.7250  5.268415E+00  4.940430E+01
    8.7750  5.228540E+00  4.987067E+01
    8.8250  5.135654E+00  5.033398E+01
    8.8750  4.917752E+00  5.078268E+01
    8.9250  4.886467E+00  5.123357E+01
    8.9750  5.002219E+00  5.170032E+01
    9.0250  5.098331E+00  5.218135E+01
    9.0750  5.116730E+00  5.266948E+01
    9.1250  5.096578E+00  5.316107E+01
    9.1750  5.068015E+00  5.365527E+01
    9.2250  4.858867E+00  5.413425E+01
    9.2750  4.946276E+00  5.462715E+01
    9.3250  5.115094E+00  5.514238E+01
    9.3750  5.132871E+00  5.566497E+01
    9.4250  5.219469E+00  5.620205E+01
    9.4750  5.094011E+00  5.673180E+01
    9.5250  5.194025E+00  5.727767E+01
    9.5750  5.063494E+00  5.781542E+01
    9.6250  4.996424E+00  5.835160E+01
    9.6750  4.880511E+00  5.888080E+01
    9.7250  4.790901E+00  5.940567E+01
    9.7750  4.776949E+00  5.993440E+01
    9.8250  4.627099E+00  6.045180E+01
    9.8750  4.492719E+00  6.095930E+01
    9.9250  4.422006E+00  6.146388E+01
    9.9750  4.309824E+00  6.196063E+01
   10.0250  4.299009E+00  6.246112E+01
   10.0750  4.217890E+00  6.295707E+01
   10.1250  4.124968E+00  6.344692E+01
   10.1750  3.968208E+00  6.392282E+01
   10.2250  3.961421E+00  6.440258E+01
   10.2750  3.929093E+00  6.488310E+01
   10.3250  3.937289E+00  6.536932E+01
   10.3750  3.864410E+00  6.585117E+01
   10.4250  3.705635E+00  6.631768E+01
   10.4750  3.655919E+00  6.678237E+01
   10.5250  3.706469E+00  6.725798E+01
   10.5750  3.600741E+00  6.772443E+01
   10.6250  3.618421E+00  6.819762E+01
   10.6750  3.557964E+00  6.866728E+01
   10.7250  3.404036E+00  6.912085E+01
   10.7750  3.266932E+00  6.956022E+01
   10.8250  3.104708E+00  6.998165E+01
   10.8750  3.012111E+00  7.039430E+01
   10.9250  2.992680E+00  7.080807E+01
   10.9750  2.961532E+00  7.122128E+01
   11.0250  2.837313E+00  7.162078E+01
   11.0750  2.808936E+00  7.201988E+01
   11.1250  2.661913E+00  7.240152E+01
   11.1750  2.610380E+00  7.277913E+01
   11.2250  2.562398E+00  7.315313E+01
   11.2750  2.440012E+00  7.351245E+01
   11.3250  2.404604E+00  7.386970E+01
   11.3750  2.240845E+00  7.420557E+01
   11.4250  2.162965E+00  7.453262E+01
   11.4750  2.075099E+00  7.484913E+01
   11.5250  2.048468E+00  7.516432E+01
   11.5750  1.943073E+00  7.546588E+01
   11.6250  1.911702E+00  7.576515E+01
   11.6750  1.892301E+00  7.606393E+01
   11.7250  1.800529E+00  7.635067E+01
   11.7750  1.658982E+00  7.661712E+01
   11.8250  1.655580E+00  7.688528E+01
   11.8750  1.544637E+00  7.713760E+01
   11.9250  1.578151E+00  7.739757E+01
   11.9750  1.522659E+00  7.765050E+01
   12.0250  1.533705E+00  7.790740E+01
   12.0750  1.426199E+00  7.814828E+01
   12.1250  1.361809E+00  7.838020E+01
   12.1750  1.226987E+00  7.859088E+01
   12.2250  1.167872E+00  7.879307E+01
   12.2750  1.129158E+00  7.899015E+01
   12.3250  1.059113E+00  7.917652E+01
   12.3750  9.990858E-01  7.935375E+01
   12.4250  9.910611E-01  7.953098E+01
   12.4750  8.813432E-01  7.968987E+01
   12.5250  8.076436E-01  7.983663E+01
   12.5750  7.315376E-01  7.997063E+01
   12.6250  6.776418E-01  8.009575E+01
   12.6750  6.211689E-01  8.021135E+01
   12.7250  5.673380E-01  8.031777E+01
   12.7750  5.575279E-01  8.042317E+01
   12.8250  5.009669E-01  8.051862E+01
   12.8750  4.703501E-01  8.060893E+01
   12.9250  4.189180E-01  8.069000E+01
   12.9750  3.749294E-01  8.076312E+01
   13.0250  3.458505E-01  8.083108E+01
   13.0750  3.358042E-01  8.089758E+01
   13.1250  3.101151E-01  8.095947E+01
   13.1750  2.748590E-01  8.101473E+01
   13.2250  2.333805E-01  8.106202E+01
   13.2750  1.988046E-01  8.110260E+01
   13.3250  1.918052E-01  8.114205E+01
   13.3750  1.725992E-01  8.117782E+01
   13.4250  1.478458E-01  8.120868E+01
   13.4750  1.493656E-01  8.124010E+01
   13.5250  1.145206E-01  8.126437E+01
   13.5750  1.221107E-01  8.129043E+01
   13.6250  1.202086E-01  8.131628E+01
   13.6750  1.169461E-01  8.134162E+01
   13.7250  9.532055E-02  8.136242E+01
   13.7750  7.635596E-02  8.137920E+01
   13.8250  5.593134E-02  8.139158E+01
   13.8750  6.389940E-02  8.140583E+01
   13.9250  6.099273E-02  8.141953E+01
   13.9750  5.937834E-02  8.143297E+01
   14.0250  4.557000E-02  8.144335E+01
   14.0750  5.207377E-02  8.145530E+01
   14.1250  4.254728E-02  8.146513E+01
   14.1750  3.272403E-02  8.147275E+01
   14.2250  2.957914E-02  8.147968E+01
   14.2750  2.725410E-02  8.148612E+01
   14.3250  2.152513E-02  8.149123E+01
   14.3750  1.566619E-02  8.149498E+01
   14.4250  9.611250E-03  8.149730E+01
   14.4750  6.248862E-03  8.149882E+01
   14.5250  3.068859E-03  8.149957E+01
   14.5750  1.760974E-03  8.150000E+01
   14.6250  0.000000E+00  8.150000E+01
   14.6750  0.000000E+00  8.150000E+01
   14.7250  0.000000E+00  8.150000E+01
   14.7750  0.000000E+00  8.150000E+01
   14.8250  0.000000E+00  8.150000E+01
   14.8750  0.000000E+00  8.150000E+01
   14.9250  0.000000E+00  8.150000E+01
   14.9750  0.000000E+00  8.150000E+01
   15.0250  0.000000E+00  8.150000E+01
   15.0750  0.000000E+00  8.150000E+01
   15.1250  0.000000E+00  8.150000E+01
   15.1750  0.000000E+00  8.150000E+01
   15.2250  0.000000E+00  8.150000E+01
   15.2750  0.000000E+00  8.150000E+01
   15.3250  0.000000E+00  8.150000E+01
   15.3750  0.000000E+00  8.150000E+01
   15.4250  0.000000E+00  8.150000E+01
   15.4750  0.000000E+00  8.150000E+01
   15.5250  0.000000E+00  8.150000E+01
   15.5750  0.000000E+00  8.150000E+01
   15.6250  0.000000E+00  8.150000E+01
   15.6750  0.000000E+00  8.150000E+01
   15.7250  0.000000E+00  8.150000E+01
   15.7750  0.000000E+00  8.150000E+01
   15.8250  0.000000E+00  8.150000E+01
   15.8750  0.000000E+00  8.150000E+01
   15.9250  0.000000E+00  8.150000E+01
   15.9750  0.000000E+00  8.150000E+01

g(r)  :C       N       

        r      g(r)         n(r)

    2.7250  0.000000E+00  0.000000E+00
    2.7750  0.000000E+00  0.000000E+00
    2.8250  1.034810E+00  6.833333E-04
    2.8750  7.919940E+00  6.100000E-03
    2.9250  2.048246E+01  2.060000E-02
    2.9750  4.385536E+01  5.271667E-02
    3.0250  5.725387E+01  9.606667E-02
    3.0750  5.476807E+01  1.389167E-01
    3.1250  4.609920E+01  1.761667E-01
    3.1750  3.390866E+01  2.044500E-01
    3.2250  2.500249E+01  2.259667E-01
    3.2750  1.924944E+01  2.430500E-01
    3.3250  1.053080E+01  2.526833E-01
    3.3750  9.053982E+00  2.612167E-01
    3.4250  9.993539E+00  2.709167E-01
    3.4750  1.027516E+01  2.811833E-01
    3.5250  9.693951E+00  2.911500E-01
    3.5750  8.557873E+00  3.002000E-01
    3.6250  9.932928E+00  3.110000E-01
    3.6750  1.537668E+01  3.281833E-01
    3.7250  2.390891E+01  3.556333E-01
    3.7750  2.966862E+01  3.906167E-01
    3.8250  3.017843E+01  4.271500E-01
    3.8750  3.360342E+01  4.689000E-01
    3.9250  3.364184E+01  5.117833E-01
    3.9750  2.911664E+01  5.498500E-01
    4.0250  2.566241E+01  5.842500E-01
    4.0750  2.188271E+01  6.143167E-01
    4.1250  1.647825E+01  6.375167E-01
    4.1750  1.276937E+01  6.559333E-01
    4.2250  1.252534E+01  6.744333E-01
    4.2750  1.242144E+01  6.932167E-01
    4.3250  1.454801E+01  7.157333E-01
    4.3750  1.456466E+01  7.388000E-01
    4.4250  1.164503E+01  7.576667E-01
    4.4750  1.083304E+01  7.756167E-01
    4.5250  1.155903E+01  7.952000E-01
    4.5750  1.565764E+01  8.223167E-01
    4.6250  2.114985E+01  8.597500E-01
    4.6750  2.185191E+01  8.992667E-01
    4.7250  2.109415E+01  9.382333E-01
    4.7750  2.296047E+01  9.815500E-01
    4.8250  2.004715E+01  1.020167E+00
    4.8750  2.143488E+01  1.062317E+00
    4.9250  2.420737E+01  1.110900E+00
    4.9750  2.781682E+01  1.167867E+00
    5.0250  3.316114E+01  1.237150E+00
    5.0750  2.928879E+01  1.299567E+00
    5.1250  2.778448E+01  1.359950E+00
    5.1750  2.880712E+01  1.423783E+00
    5.2250  2.607449E+01  1.482683E+00
    5.2750  2.183274E+01  1.532950E+00
    5.3250  1.709143E+01  1.573050E+00
    5.3750  1.475301E+01  1.608317E+00
    5.4250  1.479031E+01  1.644333E+00
    5.4750  1.556297E+01  1.682933E+00
    5.5250  1.442473E+01  1.719367E+00
    5.5750  1.276729E+01  1.752200E+00
    5.6250  9.682923E+00  1.777550E+00
    5.6750  9.882065E+00  1.803883E+00
    5.7250  9.163240E+00  1.828733E+00
    5.7750  8.799906E+00  1.853017E+00
    5.8250  8.079580E+00  1.875700E+00
    5.8750  8.532066E+00  1.900067E+00
    5.9250  8.681301E+00  1.925283E+00
    5.9750  8.830009E+00  1.951367E+00
    6.0250  6.636510E+00  1.971300E+00
    6.0750  6.424016E+00  1.990917E+00
    6.1250  6.260502E+00  2.010350E+00
    6.1750  6.291593E+00  2.030200E+00
    6.2250  6.362467E+00  2.050600E+00
    6.2750  5.990352E+00  2.070117E+00
    6.3250  5.357269E+00  2.087850E+00
    6.3750  5.040615E+00  2.104800E+00
    6.4250  5.264997E+00  2.122783E+00
    6.4750  6.596507E+00  2.145667E+00
    6.5250  6.708698E+00  2.169300E+00
    6.5750  6.369423E+00  2.192083E+00
    6.6250  7.517358E+00  2.219383E+00
    6.6750  8.698126E+00  2.251450E+00
    6.7250  1.065814E+01  2.291333E+00
    6.7750  1.187058E+01  2.336417E+00
    6.8250  1.375567E+01  2.389433E+00
    6.8750  1.177068E+01  2.435467E+00
    6.9250  1.160972E+01  2.481533E+00
    6.9750  1.179994E+01  2.529033E+00
    7.0250  1.084890E+01  2.573333E+00
    7.0750  1.045868E+01  2.616650E+00
    7.1250  9.570419E+00  2.656850E+00
    7.1750  9.515753E+00  2.697383E+00
    7.2250  8.778678E+00  2.735300E+00
    7.2750  8.418653E+00  2.772167E+00
    7.3250  8.439263E+00  2.809633E+00
    7.3750  7.980806E+00  2.845550E+00
    7.4250  8.392505E+00  2.883833E+00
    7.4750  8.302237E+00  2.922217E+00
    7.5250  7.886354E+00  2.959167E+00
    7.5750  8.505733E+00  2.999550E+00
    7.6250  8.855330E+00  3.042150E+00
    7.6750  9.188287E+00  3.086933E+00
    7.7250  8.863830E+00  3.130700E+00
    7.7750  8.823499E+00  3.174833E+00
    7.8250  6.329364E+00  3.206900E+00
    7.8750  7.317855E+00  3.244450E+00
    7.9250  7.831967E+00  3.285150E+00
    7.9750  8.009607E+00  3.327300E+00
    8.0250  8.463724E+00  3.372400E+00
    8.0750  8.161529E+00  3.416433E+00
    8.1250  8.183439E+00  3.461133E+00
    8.1750  7.908828E+00  3.504867E+00
    8.2250  8.935483E+00  3.554883E+00
    8.2750  1.041042E+01  3.613867E+00
    8.3250  9.765504E+00  3.669867E+00
    8.3750  1.098464E+01  3.733617E+00
    8.4250  9.963569E+00  3.792133E+00
    8.4750  1.008473E+01  3.852067E+00
    8.5250  1.025780E+01  3.913750E+00
    8.5750  9.807057E+00  3.973417E+00
    8.6250  8.805546E+00  4.027617E+00
    8.6750  8.118156E+00  4.078167E+00
    8.7250  8.086237E+00  4.129100E+00
    8.7750  6.694221E+00  4.171750E+00
    8.8250  6.049574E+00  4.210733E+00
    8.8750  5.585216E+00  4.247133E+00
    8.9250  6.933860E+00  4.292833E+00
    8.9750  5.381426E+00  4.328700E+00
    9.0250  4.839723E+00  4.361317E+00
    9.0750  4.612884E+00  4.392750E+00
    9.1250  4.625367E+00  4.424617E+00
    9.1750  5.292941E+00  4.461483E+00
    9.2250  4.303138E+00  4.491783E+00
    9.2750  4.085938E+00  4.520867E+00
    9.3250  4.690849E+00  4.554617E+00
    9.3750  4.753247E+00  4.589183E+00
    9.4250  5.285715E+00  4.628033E+00
    9.4750  4.029694E+00  4.657967E+00
    9.5250  4.098509E+00  4.688733E+00
    9.5750  4.011875E+00  4.719167E+00
    9.6250  3.546310E+00  4.746350E+00
    9.6750  3.649624E+00  4.774617E+00
    9.7250  3.776189E+00  4.804167E+00
    9.7750  3.727116E+00  4.833633E+00
    9.8250  3.315759E+00  4.860117E+00
    9.8750  2.526251E+00  4.880500E+00
    9.9250  2.345453E+00  4.899617E+00
    9.9750  2.182314E+00  4.917583E+00
   10.0250  2.369043E+00  4.937283E+00
   10.0750  2.143176E+00  4.955283E+00
   10.1250  1.621019E+00  4.969033E+00
   10.1750  1.217951E+00  4.979467E+00
   10.2250  6.800994E-01  4.985350E+00
   10.2750  5.151390E-01  4.989850E+00
   10.3250  1.454906E-01  4.991133E+00
   10.3750  2.320437E-01  4.993200E+00
   10.4250  7.228311E-02  4.993850E+00
   10.4750  8.444504E-02  4.994617E+00
   10.5250  5.455084E-02  4.995117E+00
   10.5750  5.403621E-02  4.995617E+00
   10.6250  3.747018E-02  4.995967E+00
   10.6750  3.535238E-02  4.996300E+00
   10.7250  6.129116E-02  4.996883E+00
   10.7750  3.643419E-02  4.997233E+00
   10.8250  4.985016E-02  4.997717E+00
   10.8750  7.834724E-02  4.998483E+00
   10.9250  8.100704E-02  4.999283E+00
   10.9750  5.518605E-02  4.999833E+00
   11.0250  1.657171E-02  5.000000E+00
   11.0750  0.000000E+00  5.000000E+00
   11.1250  0.000000E+00  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  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  2.092558E-01  1.333333E-04
    2.8250  2.523928E-01  3.000000E-04
    2.8750  5.117500E-01  6.500000E-04
    2.9250  1.624471E+00  1.800000E-03
    2.9750  2.344111E+00  3.516667E-03
    3.0250  2.993667E+00  5.783333E-03
    3.0750  4.090031E+00  8.983333E-03
    3.1250  5.795917E+00  1.366667E-02
    3.1750  9.391319E+00  2.150000E-02
    3.2250  7.378737E+00  2.785000E-02
    3.2750  1.402861E+01  4.030000E-02
    3.3250  2.029639E+01  5.886667E-02
    3.3750  2.106112E+01  7.871667E-02
    3.4250  1.409741E+01  9.240000E-02
    3.4750  1.779805E+01  1.101833E-01
    3.5250  1.591883E+01  1.265500E-01
    3.5750  2.283675E+01  1.507000E-01
    3.6250  2.743818E+01  1.805333E-01
    3.6750  2.447442E+01  2.078833E-01
    3.7250  1.858130E+01  2.292167E-01
    3.7750  1.735734E+01  2.496833E-01
    3.8250  1.773258E+01  2.711500E-01
    3.8750  1.879377E+01  2.945000E-01
    3.9250  1.894560E+01  3.186500E-01
    3.9750  1.746489E+01  3.414833E-01
    4.0250  2.224325E+01  3.713000E-01
    4.0750  2.273181E+01  4.025333E-01
    4.1250  1.660847E+01  4.259167E-01
    4.1750  1.111686E+01  4.419500E-01
    4.2250  1.011055E+01  4.568833E-01
    4.2750  7.880505E+00  4.688000E-01
    4.3250  7.387070E+00  4.802333E-01
    4.3750  6.503585E+00  4.905333E-01
    4.4250  6.480889E+00  5.010333E-01
    4.4750  7.543899E+00  5.135333E-01
    4.5250  9.207876E+00  5.291333E-01
    4.5750  8.921100E+00  5.445833E-01
    4.6250  1.032067E+01  5.628500E-01
    4.6750  1.216555E+01  5.848500E-01
    4.7250  1.560859E+01  6.136833E-01
    4.7750  1.904685E+01  6.496167E-01
    4.8250  2.201985E+01  6.920333E-01
    4.8750  2.591848E+01  7.430000E-01
    4.9250  2.526203E+01  7.937000E-01
    4.9750  2.701112E+01  8.490167E-01
    5.0250  2.606145E+01  9.034667E-01
    5.0750  2.074851E+01  9.476833E-01
    5.1250  1.914161E+01  9.892833E-01
    5.1750  1.811915E+01  1.029433E+00
    5.2250  1.599590E+01  1.065567E+00
    5.2750  1.214700E+01  1.093533E+00
    5.3250  1.434941E+01  1.127200E+00
    5.3750  1.045121E+01  1.152183E+00
    5.4250  1.179255E+01  1.180900E+00
    5.4750  9.179195E+00  1.203667E+00
    5.5250  6.064195E+00  1.218983E+00
    5.5750  7.031731E+00  1.237067E+00
    5.6250  8.798027E+00  1.260100E+00
    5.6750  7.192643E+00  1.279267E+00
    5.7250  7.522338E+00  1.299667E+00
    5.7750  6.903427E+00  1.318717E+00
    5.8250  5.776217E+00  1.334933E+00
    5.8750  6.203547E+00  1.352650E+00
    5.9250  7.292752E+00  1.373833E+00
    5.9750  7.633868E+00  1.396383E+00
    6.0250  6.819625E+00  1.416867E+00
    6.0750  8.241516E+00  1.442033E+00
    6.1250  8.392079E+00  1.468083E+00
    6.1750  8.188052E+00  1.493917E+00
    6.2250  7.823131E+00  1.519000E+00
    6.2750  9.934469E+00  1.551367E+00
    6.3250  8.927104E+00  1.580917E+00
    6.3750  9.887932E+00  1.614167E+00
    6.4250  1.052999E+01  1.650133E+00
    6.4750  1.284709E+01  1.694700E+00
    6.5250  1.379588E+01  1.743300E+00
    6.5750  1.471444E+01  1.795933E+00
    6.6250  1.236371E+01  1.840833E+00
    6.6750  1.462497E+01  1.894750E+00
    6.7250  1.492495E+01  1.950600E+00
    6.7750  1.611415E+01  2.011800E+00
    6.8250  1.518269E+01  2.070317E+00
    6.8750  1.503937E+01  2.129133E+00
    6.9250  1.629729E+01  2.193800E+00
    6.9750  1.725689E+01  2.263267E+00
    7.0250  1.738763E+01  2.334267E+00
    7.0750  1.652704E+01  2.402717E+00
    7.1250  1.525633E+01  2.466800E+00
    7.1750  1.540832E+01  2.532433E+00
    7.2250  1.598298E+01  2.601467E+00
    7.2750  1.356042E+01  2.660850E+00
    7.3250  1.169409E+01  2.712767E+00
    7.3750  1.285076E+01  2.770600E+00
    7.4250  1.322267E+01  2.830917E+00
    7.4750  1.130878E+01  2.883200E+00
    7.5250  1.209454E+01  2.939867E+00
    7.5750  9.920430E+00  2.986967E+00
    7.6250  9.860043E+00  3.034400E+00
    7.6750  9.684119E+00  3.081600E+00
    7.7250  9.204746E+00  3.127050E+00
    7.7750  8.713539E+00  3.170633E+00
    7.8250  8.141983E+00  3.211883E+00
    7.8750  8.120123E+00  3.253550E+00
    7.9250  6.558711E+00  3.287633E+00
    7.9750  7.211497E+00  3.325583E+00
    8.0250  8.057115E+00  3.368517E+00
    8.0750  7.296568E+00  3.407883E+00
    8.1250  8.552639E+00  3.454600E+00
    8.1750  6.347558E+00  3.489700E+00
    8.2250  7.509259E+00  3.531733E+00
    8.2750  6.721622E+00  3.569817E+00
    8.3250  6.184819E+00  3.605283E+00
    8.3750  6.289243E+00  3.641783E+00
    8.4250  6.180761E+00  3.678083E+00
    8.4750  6.133287E+00  3.714533E+00
    8.5250  5.271639E+00  3.746233E+00
    8.5750  6.322539E+00  3.784700E+00
    8.6250  6.357756E+00  3.823833E+00
    8.6750  6.324828E+00  3.863217E+00
    8.7250  5.752447E+00  3.899450E+00
    8.7750  5.629528E+00  3.935317E+00
    8.8250  6.569439E+00  3.977650E+00
    8.8750  5.915112E+00  4.016200E+00
    8.9250  4.872920E+00  4.048317E+00
    8.9750  4.663736E+00  4.079400E+00
    9.0250  4.933698E+00  4.112650E+00
    9.0750  5.319736E+00  4.148900E+00
    9.1250  5.987335E+00  4.190150E+00
    9.1750  4.675591E+00  4.222717E+00
    9.2250  5.088969E+00  4.258550E+00
    9.2750  4.776683E+00  4.292550E+00
    9.3250  4.320214E+00  4.323633E+00
    9.3750  4.485103E+00  4.356250E+00
    9.4250  5.301588E+00  4.395217E+00
    9.4750  5.090966E+00  4.433033E+00
    9.5250  4.700186E+00  4.468317E+00
    9.5750  3.858079E+00  4.497583E+00
    9.6250  3.824622E+00  4.526900E+00
    9.6750  3.421522E+00  4.553400E+00
    9.7250  3.673957E+00  4.582150E+00
    9.7750  4.030682E+00  4.614017E+00
    9.8250  4.006456E+00  4.646017E+00
    9.8750  3.839984E+00  4.677000E+00
    9.9250  3.290177E+00  4.703817E+00
    9.9750  3.858525E+00  4.735583E+00
   10.0250  3.355142E+00  4.763483E+00
   10.0750  3.385425E+00  4.791917E+00
   10.1250  2.978746E+00  4.817183E+00
   10.1750  2.618789E+00  4.839617E+00
   10.2250  2.011399E+00  4.857017E+00
   10.2750  1.795355E+00  4.872700E+00
   10.3250  1.647634E+00  4.887233E+00
   10.3750  1.190160E+00  4.897833E+00
   10.4250  1.247347E+00  4.909050E+00
   10.4750  1.431894E+00  4.922050E+00
   10.5250  1.169206E+00  4.932767E+00
   10.5750  1.107742E+00  4.943017E+00
   10.6250  1.097341E+00  4.953267E+00
   10.6750  1.046430E+00  4.963133E+00
   10.7250  8.843439E-01  4.971550E+00
   10.7750  6.419358E-01  4.977717E+00
   10.8250  3.094148E-01  4.980717E+00
   10.8750  2.963570E-01  4.983617E+00
   10.9250  4.016599E-01  4.987583E+00
   10.9750  5.033637E-01  4.992600E+00
   11.0250  3.364056E-01  4.995983E+00
   11.0750  1.264526E-01  4.997267E+00
   11.1250  1.887915E-01  4.999200E+00
   11.1750  4.355050E-02  4.999650E+00
   11.2250  1.918373E-02  4.999850E+00
   11.2750  1.426047E-02  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :C       Oe      

        r      g(r)         n(r)

    2.5750  0.000000E+00  0.000000E+00
    2.6250  0.000000E+00  0.000000E+00
    2.6750  8.444739E-01  5.000000E-04
    2.7250  4.150223E+00  3.050000E-03
    2.7750  6.591557E+00  7.250000E-03
    2.8250  1.029763E+01  1.405000E-02
    2.8750  2.210272E+01  2.916667E-02
    2.9250  3.171250E+01  5.161667E-02
    2.9750  4.000920E+01  8.091667E-02
    3.0250  4.114090E+01  1.120667E-01
    3.0750  4.064468E+01  1.438667E-01
    3.1250  4.626421E+01  1.812500E-01
    3.1750  4.413920E+01  2.180667E-01
    3.2250  4.704187E+01  2.585500E-01
    3.2750  4.542867E+01  2.988667E-01
    3.3250  4.219609E+01  3.374667E-01
    3.3750  4.217529E+01  3.772167E-01
    3.4250  4.059231E+01  4.166167E-01
    3.4750  3.396142E+01  4.505500E-01
    3.5250  3.136755E+01  4.828000E-01
    3.5750  3.643794E+01  5.213333E-01
    3.6250  3.491853E+01  5.593000E-01
    3.6750  2.991815E+01  5.927333E-01
    3.7250  2.415569E+01  6.204667E-01
    3.7750  2.884881E+01  6.544833E-01
    3.8250  3.110086E+01  6.921333E-01
    3.8750  3.447536E+01  7.349667E-01
    3.9250  3.938174E+01  7.851667E-01
    3.9750  4.076840E+01  8.384667E-01
    4.0250  4.433729E+01  8.979000E-01
    4.0750  4.653108E+01  9.618333E-01
    4.1250  4.252147E+01  1.021700E+00
    4.1750  4.660529E+01  1.088917E+00
    4.2250  3.981028E+01  1.147717E+00
    4.2750  3.500487E+01  1.200650E+00
    4.3250  3.337104E+01  1.252300E+00
    4.3750  3.085520E+01  1.301167E+00
    4.4250  2.801184E+01  1.346550E+00
    4.4750  2.940109E+01  1.395267E+00
    4.5250  2.878445E+01  1.444033E+00
    4.5750  2.566621E+01  1.488483E+00
    4.6250  2.607477E+01  1.534633E+00
    4.6750  2.510527E+01  1.580033E+00
    4.7250  2.411662E+01  1.624583E+00
    4.7750  2.417961E+01  1.670200E+00
    4.8250  2.340421E+01  1.715283E+00
    4.8750  2.147725E+01  1.757517E+00
    4.9250  2.374232E+01  1.805167E+00
    4.9750  2.358488E+01  1.853467E+00
    5.0250  2.389166E+01  1.903383E+00
    5.0750  2.408797E+01  1.954717E+00
    5.1250  2.223986E+01  2.003050E+00
    5.1750  2.130072E+01  2.050250E+00
    5.2250  1.990633E+01  2.095217E+00
    5.2750  2.286792E+01  2.147867E+00
    5.3250  2.376888E+01  2.203633E+00
    5.3750  2.291040E+01  2.258400E+00
    5.4250  2.442010E+01  2.317867E+00
    5.4750  2.150324E+01  2.371200E+00
    5.5250  2.077927E+01  2.423683E+00
    5.5750  2.367458E+01  2.484567E+00
    5.6250  2.429325E+01  2.548167E+00
    5.6750  2.319784E+01  2.609983E+00
    5.7250  2.486551E+01  2.677417E+00
    5.7750  2.284231E+01  2.740450E+00
    5.8250  2.140109E+01  2.800533E+00
    5.8750  2.250901E+01  2.864817E+00
    5.9250  2.381190E+01  2.933983E+00
    5.9750  2.383256E+01  3.004383E+00
    6.0250  2.313900E+01  3.073883E+00
    6.0750  2.086577E+01  3.137600E+00
    6.1250  1.936138E+01  3.197700E+00
    6.1750  1.818804E+01  3.255083E+00
    6.2250  1.742401E+01  3.310950E+00
    6.2750  1.705025E+01  3.366500E+00
    6.3250  1.872023E+01  3.428467E+00
    6.3750  1.745629E+01  3.487167E+00
    6.4250  1.663427E+01  3.543983E+00
    6.4750  1.339000E+01  3.590433E+00
    6.5250  1.323288E+01  3.637050E+00
    6.5750  1.423918E+01  3.687983E+00
    6.6250  1.275840E+01  3.734317E+00
    6.6750  1.228316E+01  3.779600E+00
    6.7250  1.194976E+01  3.824317E+00
    6.7750  1.063305E+01  3.864700E+00
    6.8250  8.739453E+00  3.898383E+00
    6.8750  9.098624E+00  3.933967E+00
    6.9250  1.047983E+01  3.975550E+00
    6.9750  1.156394E+01  4.022100E+00
    7.0250  1.048972E+01  4.064933E+00
    7.0750  9.738360E+00  4.105267E+00
    7.1250  9.538677E+00  4.145333E+00
    7.1750  1.044698E+01  4.189833E+00
    7.2250  1.046882E+01  4.235050E+00
    7.2750  1.153569E+01  4.285567E+00
    7.3250  1.300427E+01  4.343300E+00
    7.3750  1.334331E+01  4.403350E+00
    7.4250  1.318248E+01  4.463483E+00
    7.4750  1.319778E+01  4.524500E+00
    7.5250  1.203407E+01  4.580883E+00
    7.5750  1.229347E+01  4.639250E+00
    7.6250  1.232679E+01  4.698550E+00
    7.6750  9.643085E+00  4.745550E+00
    7.7250  1.047728E+01  4.797283E+00
    7.7750  1.064951E+01  4.850550E+00
    7.8250  1.013554E+01  4.901900E+00
    7.8750  8.746996E+00  4.946783E+00
    7.9250  8.486235E+00  4.990883E+00
    7.9750  7.537708E+00  5.030550E+00
    8.0250  8.964166E+00  5.078317E+00
    8.0750  7.355262E+00  5.118000E+00
    8.1250  6.581535E+00  5.153950E+00
    8.1750  5.783933E+00  5.185933E+00
    8.2250  5.606636E+00  5.217317E+00
    8.2750  4.706606E+00  5.243983E+00
    8.3250  3.833542E+00  5.265967E+00
    8.3750  3.988931E+00  5.289117E+00
    8.4250  4.046724E+00  5.312883E+00
    8.4750  3.045610E+00  5.330983E+00
    8.5250  3.145799E+00  5.349900E+00
    8.5750  2.936638E+00  5.367767E+00
    8.6250  3.230325E+00  5.387650E+00
    8.6750  2.660550E+00  5.404217E+00
    8.7250  2.135338E+00  5.417667E+00
    8.7750  2.014283E+00  5.430500E+00
    8.8250  1.507867E+00  5.440217E+00
    8.8750  1.513941E+00  5.450083E+00
    8.9250  1.183460E+00  5.457883E+00
    8.9750  1.225325E+00  5.466050E+00
    9.0250  1.070823E+00  5.473267E+00
    9.0750  5.674385E-01  5.477133E+00
    9.1250  6.023622E-01  5.481283E+00
    9.1750  5.024944E-01  5.484783E+00
    9.2250  5.964745E-01  5.488983E+00
    9.2750  6.720138E-01  5.493767E+00
    9.3250  5.304714E-01  5.497583E+00
    9.3750  2.818946E-01  5.499633E+00
    9.4250  4.988662E-02  5.500000E+00
    9.4750  0.000000E+00  5.500000E+00
    9.5250  0.000000E+00  5.500000E+00
    9.5750  0.000000E+00  5.500000E+00
    9.6250  0.000000E+00  5.500000E+00
    9.6750  0.000000E+00  5.500000E+00
    9.7250  0.000000E+00  5.500000E+00
    9.7750  0.000000E+00  5.500000E+00
    9.8250  0.000000E+00  5.500000E+00
    9.8750  0.000000E+00  5.500000E+00
    9.9250  0.000000E+00  5.500000E+00
    9.9750  0.000000E+00  5.500000E+00
   10.0250  0.000000E+00  5.500000E+00
   10.0750  0.000000E+00  5.500000E+00
   10.1250  0.000000E+00  5.500000E+00
   10.1750  0.000000E+00  5.500000E+00
   10.2250  0.000000E+00  5.500000E+00
   10.2750  0.000000E+00  5.500000E+00
   10.3250  0.000000E+00  5.500000E+00
   10.3750  0.000000E+00  5.500000E+00
   10.4250  0.000000E+00  5.500000E+00
   10.4750  0.000000E+00  5.500000E+00
   10.5250  0.000000E+00  5.500000E+00
   10.5750  0.000000E+00  5.500000E+00
   10.6250  0.000000E+00  5.500000E+00
   10.6750  0.000000E+00  5.500000E+00
   10.7250  0.000000E+00  5.500000E+00
   10.7750  0.000000E+00  5.500000E+00
   10.8250  0.000000E+00  5.500000E+00
   10.8750  0.000000E+00  5.500000E+00
   10.9250  0.000000E+00  5.500000E+00
   10.9750  0.000000E+00  5.500000E+00
   11.0250  0.000000E+00  5.500000E+00
   11.0750  0.000000E+00  5.500000E+00
   11.1250  0.000000E+00  5.500000E+00
   11.1750  0.000000E+00  5.500000E+00
   11.2250  0.000000E+00  5.500000E+00
   11.2750  0.000000E+00  5.500000E+00
   11.3250  0.000000E+00  5.500000E+00
   11.3750  0.000000E+00  5.500000E+00
   11.4250  0.000000E+00  5.500000E+00
   11.4750  0.000000E+00  5.500000E+00
   11.5250  0.000000E+00  5.500000E+00
   11.5750  0.000000E+00  5.500000E+00
   11.6250  0.000000E+00  5.500000E+00
   11.6750  0.000000E+00  5.500000E+00
   11.7250  0.000000E+00  5.500000E+00
   11.7750  0.000000E+00  5.500000E+00
   11.8250  0.000000E+00  5.500000E+00
   11.8750  0.000000E+00  5.500000E+00
   11.9250  0.000000E+00  5.500000E+00
   11.9750  0.000000E+00  5.500000E+00
   12.0250  0.000000E+00  5.500000E+00
   12.0750  0.000000E+00  5.500000E+00
   12.1250  0.000000E+00  5.500000E+00
   12.1750  0.000000E+00  5.500000E+00
   12.2250  0.000000E+00  5.500000E+00
   12.2750  0.000000E+00  5.500000E+00
   12.3250  0.000000E+00  5.500000E+00
   12.3750  0.000000E+00  5.500000E+00
   12.4250  0.000000E+00  5.500000E+00
   12.4750  0.000000E+00  5.500000E+00
   12.5250  0.000000E+00  5.500000E+00
   12.5750  0.000000E+00  5.500000E+00
   12.6250  0.000000E+00  5.500000E+00
   12.6750  0.000000E+00  5.500000E+00
   12.7250  0.000000E+00  5.500000E+00
   12.7750  0.000000E+00  5.500000E+00
   12.8250  0.000000E+00  5.500000E+00
   12.8750  0.000000E+00  5.500000E+00
   12.9250  0.000000E+00  5.500000E+00
   12.9750  0.000000E+00  5.500000E+00
   13.0250  0.000000E+00  5.500000E+00
   13.0750  0.000000E+00  5.500000E+00
   13.1250  0.000000E+00  5.500000E+00
   13.1750  0.000000E+00  5.500000E+00
   13.2250  0.000000E+00  5.500000E+00
   13.2750  0.000000E+00  5.500000E+00
   13.3250  0.000000E+00  5.500000E+00
   13.3750  0.000000E+00  5.500000E+00
   13.4250  0.000000E+00  5.500000E+00
   13.4750  0.000000E+00  5.500000E+00
   13.5250  0.000000E+00  5.500000E+00
   13.5750  0.000000E+00  5.500000E+00
   13.6250  0.000000E+00  5.500000E+00
   13.6750  0.000000E+00  5.500000E+00
   13.7250  0.000000E+00  5.500000E+00
   13.7750  0.000000E+00  5.500000E+00
   13.8250  0.000000E+00  5.500000E+00
   13.8750  0.000000E+00  5.500000E+00
   13.9250  0.000000E+00  5.500000E+00
   13.9750  0.000000E+00  5.500000E+00
   14.0250  0.000000E+00  5.500000E+00
   14.0750  0.000000E+00  5.500000E+00
   14.1250  0.000000E+00  5.500000E+00
   14.1750  0.000000E+00  5.500000E+00
   14.2250  0.000000E+00  5.500000E+00
   14.2750  0.000000E+00  5.500000E+00
   14.3250  0.000000E+00  5.500000E+00
   14.3750  0.000000E+00  5.500000E+00
   14.4250  0.000000E+00  5.500000E+00
   14.4750  0.000000E+00  5.500000E+00
   14.5250  0.000000E+00  5.500000E+00
   14.5750  0.000000E+00  5.500000E+00
   14.6250  0.000000E+00  5.500000E+00
   14.6750  0.000000E+00  5.500000E+00
   14.7250  0.000000E+00  5.500000E+00
   14.7750  0.000000E+00  5.500000E+00
   14.8250  0.000000E+00  5.500000E+00
   14.8750  0.000000E+00  5.500000E+00
   14.9250  0.000000E+00  5.500000E+00
   14.9750  0.000000E+00  5.500000E+00
   15.0250  0.000000E+00  5.500000E+00
   15.0750  0.000000E+00  5.500000E+00
   15.1250  0.000000E+00  5.500000E+00
   15.1750  0.000000E+00  5.500000E+00
   15.2250  0.000000E+00  5.500000E+00
   15.2750  0.000000E+00  5.500000E+00
   15.3250  0.000000E+00  5.500000E+00
   15.3750  0.000000E+00  5.500000E+00
   15.4250  0.000000E+00  5.500000E+00
   15.4750  0.000000E+00  5.500000E+00
   15.5250  0.000000E+00  5.500000E+00
   15.5750  0.000000E+00  5.500000E+00
   15.6250  0.000000E+00  5.500000E+00
   15.6750  0.000000E+00  5.500000E+00
   15.7250  0.000000E+00  5.500000E+00
   15.7750  0.000000E+00  5.500000E+00
   15.8250  0.000000E+00  5.500000E+00
   15.8750  0.000000E+00  5.500000E+00
   15.9250  0.000000E+00  5.500000E+00
   15.9750  0.000000E+00  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  5.164235E-01  2.833333E-04
    2.6250  9.646447E-01  8.333333E-04
    2.6750  5.826870E+00  4.283333E-03
    2.7250  8.761581E+00  9.666667E-03
    2.7750  1.634811E+01  2.008333E-02
    2.8250  2.160482E+01  3.435000E-02
    2.8750  2.741518E+01  5.310000E-02
    2.9250  3.434932E+01  7.741667E-02
    2.9750  3.805198E+01  1.052833E-01
    3.0250  3.599004E+01  1.325333E-01
    3.0750  3.591558E+01  1.606333E-01
    3.1250  2.910334E+01  1.841500E-01
    3.1750  3.205037E+01  2.108833E-01
    3.2250  3.127732E+01  2.378000E-01
    3.2750  3.645186E+01  2.701500E-01
    3.3250  3.060857E+01  2.981500E-01
    3.3750  2.990290E+01  3.263333E-01
    3.4250  2.534444E+01  3.509333E-01
    3.4750  2.880716E+01  3.797167E-01
    3.5250  2.433214E+01  4.047333E-01
    3.5750  2.006293E+01  4.259500E-01
    3.6250  1.871621E+01  4.463000E-01
    3.6750  1.853851E+01  4.670167E-01
    3.7250  2.097654E+01  4.911000E-01
    3.7750  2.156947E+01  5.165333E-01
    3.8250  2.725971E+01  5.495333E-01
    3.8750  2.607786E+01  5.819333E-01
    3.9250  2.558767E+01  6.145500E-01
    3.9750  3.277534E+01  6.574000E-01
    4.0250  3.118282E+01  6.992000E-01
    4.0750  3.784592E+01  7.512000E-01
    4.1250  4.619120E+01  8.162333E-01
    4.1750  4.549592E+01  8.818500E-01
    4.2250  4.034063E+01  9.414333E-01
    4.2750  3.781540E+01  9.986167E-01
    4.3250  3.674152E+01  1.055483E+00
    4.3750  3.325458E+01  1.108150E+00
    4.4250  2.521374E+01  1.149000E+00
    4.4750  2.020759E+01  1.182483E+00
    4.5250  2.258684E+01  1.220750E+00
    4.5750  2.290423E+01  1.260417E+00
    4.6250  2.337218E+01  1.301783E+00
    4.6750  2.934478E+01  1.354850E+00
    4.7250  3.054050E+01  1.411267E+00
    4.7750  2.962157E+01  1.467150E+00
    4.8250  1.765049E+01  1.501150E+00
    4.8750  9.594416E+00  1.520017E+00
    4.9250  6.842837E+00  1.533750E+00
    4.9750  7.617478E+00  1.549350E+00
    5.0250  8.001113E+00  1.566067E+00
    5.0750  6.459957E+00  1.579833E+00
    5.1250  6.510910E+00  1.593983E+00
    5.1750  5.565867E+00  1.606317E+00
    5.2250  5.887788E+00  1.619617E+00
    5.2750  6.790157E+00  1.635250E+00
    5.3250  7.366506E+00  1.652533E+00
    5.3750  7.167344E+00  1.669667E+00
    5.4250  5.899699E+00  1.684033E+00
    5.4750  5.449727E+00  1.697550E+00
    5.5250  4.137378E+00  1.708000E+00
    5.5750  4.789354E+00  1.720317E+00
    5.6250  5.996919E+00  1.736017E+00
    5.6750  9.794503E+00  1.762117E+00
    5.7250  1.149246E+01  1.793283E+00
    5.7750  9.832702E+00  1.820417E+00
    5.8250  9.599324E+00  1.847367E+00
    5.8750  1.271640E+01  1.883683E+00
    5.9250  1.340352E+01  1.922617E+00
    5.9750  1.447219E+01  1.965367E+00
    6.0250  1.837248E+01  2.020550E+00
    6.0750  1.576804E+01  2.068700E+00
    6.1250  1.440023E+01  2.113400E+00
    6.1750  1.768091E+01  2.169183E+00
    6.2250  1.392050E+01  2.213817E+00
    6.2750  1.473800E+01  2.261833E+00
    6.3250  1.242645E+01  2.302967E+00
    6.3750  1.343668E+01  2.348150E+00
    6.4250  1.236957E+01  2.390400E+00
    6.4750  1.299123E+01  2.435467E+00
    6.5250  1.115593E+01  2.474767E+00
    6.5750  1.001309E+01  2.510583E+00
    6.6250  1.060599E+01  2.549100E+00
    6.6750  8.634834E+00  2.580933E+00
    6.7250  8.818684E+00  2.613933E+00
    6.7750  8.899642E+00  2.647733E+00
    6.8250  7.290805E+00  2.675833E+00
    6.8750  7.543122E+00  2.705333E+00
    6.9250  5.758657E+00  2.728183E+00
    6.9750  5.899969E+00  2.751933E+00
    7.0250  5.020371E+00  2.772433E+00
    7.0750  5.706196E+00  2.796067E+00
    7.1250  5.487516E+00  2.819117E+00
    7.1750  4.953513E+00  2.840217E+00
    7.2250  3.777726E+00  2.856533E+00
    7.2750  4.087538E+00  2.874433E+00
    7.3250  4.673880E+00  2.895183E+00
    7.3750  4.414441E+00  2.915050E+00
    7.4250  4.990928E+00  2.937817E+00
    7.4750  5.230806E+00  2.962000E+00
    7.5250  4.293563E+00  2.982117E+00
    7.5750  4.823309E+00  3.005017E+00
    7.6250  4.632072E+00  3.027300E+00
    7.6750  5.320794E+00  3.053233E+00
    7.7250  5.431037E+00  3.080050E+00
    7.7750  5.521351E+00  3.107667E+00
    7.8250  5.852359E+00  3.137317E+00
    7.8750  6.116077E+00  3.168700E+00
    7.9250  5.859543E+00  3.199150E+00
    7.9750  6.913789E+00  3.235533E+00
    8.0250  8.347997E+00  3.280017E+00
    8.0750  7.583859E+00  3.320933E+00
    8.1250  7.091093E+00  3.359667E+00
    8.1750  8.162007E+00  3.404800E+00
    8.2250  8.173242E+00  3.450550E+00
    8.2750  7.818849E+00  3.494850E+00
    8.3250  6.920138E+00  3.534533E+00
    8.3750  7.007193E+00  3.575200E+00
    8.4250  6.827783E+00  3.615300E+00
    8.4750  7.456978E+00  3.659617E+00
    8.5250  7.059340E+00  3.702067E+00
    8.5750  6.725231E+00  3.742983E+00
    8.6250  7.148414E+00  3.786983E+00
    8.6750  6.956508E+00  3.830300E+00
    8.7250  6.813501E+00  3.873217E+00
    8.7750  7.484238E+00  3.920900E+00
    8.8250  7.482436E+00  3.969117E+00
    8.8750  6.234778E+00  4.009750E+00
    8.9250  7.067884E+00  4.056333E+00
    8.9750  6.299170E+00  4.098317E+00
    9.0250  6.041616E+00  4.139033E+00
    9.0750  5.718410E+00  4.178000E+00
    9.1250  5.503510E+00  4.215917E+00
    9.1750  4.692341E+00  4.248600E+00
    9.2250  4.575338E+00  4.280817E+00
    9.2750  4.409066E+00  4.312200E+00
    9.3250  4.929446E+00  4.347667E+00
    9.3750  4.278839E+00  4.378783E+00
    9.4250  4.498867E+00  4.411850E+00
    9.4750  4.312401E+00  4.443883E+00
    9.5250  4.569194E+00  4.478183E+00
    9.5750  4.464474E+00  4.512050E+00
    9.6250  4.639991E+00  4.547617E+00
    9.6750  3.746459E+00  4.576633E+00
    9.7250  4.415138E+00  4.611183E+00
    9.7750  3.918953E+00  4.642167E+00
    9.8250  3.182211E+00  4.667583E+00
    9.8750  3.205839E+00  4.693450E+00
    9.9250  2.987538E+00  4.717800E+00
    9.9750  3.064957E+00  4.743033E+00
   10.0250  2.930238E+00  4.767400E+00
   10.0750  2.599594E+00  4.789233E+00
   10.1250  2.230130E+00  4.808150E+00
   10.1750  2.237450E+00  4.827317E+00
   10.2250  3.192421E+00  4.854933E+00
   10.2750  3.132808E+00  4.882300E+00
   10.3250  3.423753E+00  4.912500E+00
   10.3750  3.224285E+00  4.941217E+00
   10.4250  2.409437E+00  4.962883E+00
   10.4750  2.716927E+00  4.987550E+00
   10.5250  3.600355E+00  5.020550E+00
   10.5750  2.971991E+00  5.048050E+00
   10.6250  2.674657E+00  5.073033E+00
   10.6750  2.603703E+00  5.097583E+00
   10.7250  2.297543E+00  5.119450E+00
   10.7750  2.768999E+00  5.146050E+00
   10.8250  2.573300E+00  5.171000E+00
   10.8750  2.656993E+00  5.197000E+00
   10.9250  2.197316E+00  5.218700E+00
   10.9750  1.802744E+00  5.236667E+00
   11.0250  2.151008E+00  5.258300E+00
   11.0750  2.233448E+00  5.280967E+00
   11.1250  2.003468E+00  5.301483E+00
   11.1750  2.164621E+00  5.323850E+00
   11.2250  2.068645E+00  5.345417E+00
   11.2750  1.657384E+00  5.362850E+00
   11.3250  1.400919E+00  5.377717E+00
   11.3750  1.293668E+00  5.391567E+00
   11.4250  1.339466E+00  5.406033E+00
   11.4750  1.303343E+00  5.420233E+00
   11.5250  1.305707E+00  5.434583E+00
   11.5750  9.847450E-01  5.445500E+00
   11.6250  9.107093E-01  5.455683E+00
   11.6750  6.960359E-01  5.463533E+00
   11.7250  4.835181E-01  5.469033E+00
   11.7750  5.200986E-01  5.475000E+00
   11.8250  5.632471E-01  5.481517E+00
   11.8750  3.885315E-01  5.486050E+00
   11.9250  2.436331E-01  5.488917E+00
   11.9750  1.573227E-01  5.490783E+00
   12.0250  2.103446E-01  5.493300E+00
   12.0750  2.389992E-01  5.496183E+00
   12.1250  1.178310E-01  5.497617E+00
   12.1750  7.881604E-02  5.498583E+00
   12.2250  8.760728E-02  5.499667E+00
   12.2750  2.673693E-02  5.500000E+00
   12.3250  0.000000E+00  5.500000E+00
   12.3750  0.000000E+00  5.500000E+00
   12.4250  0.000000E+00  5.500000E+00
   12.4750  0.000000E+00  5.500000E+00
   12.5250  0.000000E+00  5.500000E+00
   12.5750  0.000000E+00  5.500000E+00
   12.6250  0.000000E+00  5.500000E+00
   12.6750  0.000000E+00  5.500000E+00
   12.7250  0.000000E+00  5.500000E+00
   12.7750  0.000000E+00  5.500000E+00
   12.8250  0.000000E+00  5.500000E+00
   12.8750  0.000000E+00  5.500000E+00
   12.9250  0.000000E+00  5.500000E+00
   12.9750  0.000000E+00  5.500000E+00
   13.0250  0.000000E+00  5.500000E+00
   13.0750  0.000000E+00  5.500000E+00
   13.1250  0.000000E+00  5.500000E+00
   13.1750  0.000000E+00  5.500000E+00
   13.2250  0.000000E+00  5.500000E+00
   13.2750  0.000000E+00  5.500000E+00
   13.3250  0.000000E+00  5.500000E+00
   13.3750  0.000000E+00  5.500000E+00
   13.4250  0.000000E+00  5.500000E+00
   13.4750  0.000000E+00  5.500000E+00
   13.5250  0.000000E+00  5.500000E+00
   13.5750  0.000000E+00  5.500000E+00
   13.6250  0.000000E+00  5.500000E+00
   13.6750  0.000000E+00  5.500000E+00
   13.7250  0.000000E+00  5.500000E+00
   13.7750  0.000000E+00  5.500000E+00
   13.8250  0.000000E+00  5.500000E+00
   13.8750  0.000000E+00  5.500000E+00
   13.9250  0.000000E+00  5.500000E+00
   13.9750  0.000000E+00  5.500000E+00
   14.0250  0.000000E+00  5.500000E+00
   14.0750  0.000000E+00  5.500000E+00
   14.1250  0.000000E+00  5.500000E+00
   14.1750  0.000000E+00  5.500000E+00
   14.2250  0.000000E+00  5.500000E+00
   14.2750  0.000000E+00  5.500000E+00
   14.3250  0.000000E+00  5.500000E+00
   14.3750  0.000000E+00  5.500000E+00
   14.4250  0.000000E+00  5.500000E+00
   14.4750  0.000000E+00  5.500000E+00
   14.5250  0.000000E+00  5.500000E+00
   14.5750  0.000000E+00  5.500000E+00
   14.6250  0.000000E+00  5.500000E+00
   14.6750  0.000000E+00  5.500000E+00
   14.7250  0.000000E+00  5.500000E+00
   14.7750  0.000000E+00  5.500000E+00
   14.8250  0.000000E+00  5.500000E+00
   14.8750  0.000000E+00  5.500000E+00
   14.9250  0.000000E+00  5.500000E+00
   14.9750  0.000000E+00  5.500000E+00
   15.0250  0.000000E+00  5.500000E+00
   15.0750  0.000000E+00  5.500000E+00
   15.1250  0.000000E+00  5.500000E+00
   15.1750  0.000000E+00  5.500000E+00
   15.2250  0.000000E+00  5.500000E+00
   15.2750  0.000000E+00  5.500000E+00
   15.3250  0.000000E+00  5.500000E+00
   15.3750  0.000000E+00  5.500000E+00
   15.4250  0.000000E+00  5.500000E+00
   15.4750  0.000000E+00  5.500000E+00
   15.5250  0.000000E+00  5.500000E+00
   15.5750  0.000000E+00  5.500000E+00
   15.6250  0.000000E+00  5.500000E+00
   15.6750  0.000000E+00  5.500000E+00
   15.7250  0.000000E+00  5.500000E+00
   15.7750  0.000000E+00  5.500000E+00
   15.8250  0.000000E+00  5.500000E+00
   15.8750  0.000000E+00  5.500000E+00
   15.9250  0.000000E+00  5.500000E+00
   15.9750  0.000000E+00  5.500000E+00

g(r)  :C       K       

        r      g(r)         n(r)

    3.4750  0.000000E+00  0.000000E+00
    3.5250  0.000000E+00  0.000000E+00
    3.5750  7.564971E-01  1.333333E-04
    3.6250  1.076067E+01  2.083333E-03
    3.6750  1.404930E+01  4.700000E-03
    3.7250  2.299436E+01  9.100000E-03
    3.7750  5.504031E+01  1.991667E-02
    3.8250  1.048260E+02  4.106667E-02
    3.8750  1.141309E+02  6.470000E-02
    3.9250  1.035536E+02  8.670000E-02
    3.9750  1.252118E+02  1.139833E-01
    4.0250  1.160031E+02  1.399000E-01
    4.0750  9.337754E+01  1.612833E-01
    4.1250  8.139689E+01  1.803833E-01
    4.1750  6.822654E+01  1.967833E-01
    4.2250  7.325634E+01  2.148167E-01
    4.2750  4.152971E+01  2.252833E-01
    4.3250  3.721533E+01  2.348833E-01
    4.3750  3.693784E+01  2.446333E-01
    4.4250  3.524369E+01  2.541500E-01
    4.4750  2.999454E+01  2.624333E-01
    4.5250  4.397351E+01  2.748500E-01
    4.5750  3.660827E+01  2.854167E-01
    4.6250  3.339152E+01  2.952667E-01
    4.6750  3.550129E+01  3.059667E-01
    4.7250  3.713581E+01  3.174000E-01
    4.7750  3.933051E+01  3.297667E-01
    4.8250  2.585278E+01  3.380667E-01
    4.8750  2.944435E+01  3.477167E-01
    4.9250  3.527715E+01  3.595167E-01
    4.9750  2.548925E+01  3.682167E-01
    5.0250  2.503239E+01  3.769333E-01
    5.0750  2.970329E+01  3.874833E-01
    5.1250  3.713289E+01  4.009333E-01
    5.1750  3.213160E+01  4.128000E-01
    5.2250  3.151959E+01  4.246667E-01
    5.2750  3.670160E+01  4.387500E-01
    5.3250  2.016021E+01  4.466333E-01
    5.3750  1.970322E+01  4.544833E-01
    5.4250  2.040940E+01  4.627667E-01
    5.4750  1.556297E+01  4.692000E-01
    5.5250  2.066709E+01  4.779000E-01
    5.5750  1.485413E+01  4.842667E-01
    5.6250  1.581353E+01  4.911667E-01
    5.6750  1.414762E+01  4.974500E-01
    5.7250  1.441781E+01  5.039667E-01
    5.7750  1.924262E+01  5.128167E-01
    5.8250  2.340169E+01  5.237667E-01
    5.8750  2.195460E+01  5.342167E-01
    5.9250  1.807409E+01  5.429667E-01
    5.9750  3.246510E+01  5.589500E-01
    6.0250  2.543626E+01  5.716833E-01
    6.0750  2.086031E+01  5.823000E-01
    6.1250  2.760849E+01  5.965833E-01
    6.1750  3.946113E+01  6.173333E-01
    6.2250  3.193709E+01  6.344000E-01
    6.2750  2.430927E+01  6.476000E-01
    6.3250  2.335246E+01  6.604833E-01
    6.3750  3.369331E+01  6.793667E-01
    6.4250  3.612793E+01  6.999333E-01
    6.4750  3.303538E+01  7.190333E-01
    6.5250  2.651308E+01  7.346000E-01
    6.5750  3.075215E+01  7.529333E-01
    6.6250  3.469550E+01  7.739333E-01
    6.6750  4.006382E+01  7.985500E-01
    6.7250  3.348428E+01  8.194333E-01
    6.7750  2.617232E+01  8.360000E-01
    6.8250  2.342917E+01  8.510500E-01
    6.8750  2.656713E+01  8.683667E-01
    6.9250  2.621008E+01  8.857000E-01
    6.9750  2.233294E+01  9.006833E-01
    7.0250  1.844068E+01  9.132333E-01
    7.0750  1.178261E+01  9.213667E-01
    7.1250  1.171305E+01  9.295667E-01
    7.1750  1.220771E+01  9.382333E-01
    7.2250  1.159943E+01  9.465833E-01
    7.2750  9.476693E+00  9.535000E-01
    7.3250  9.347761E+00  9.604167E-01
    7.3750  8.132645E+00  9.665167E-01
    7.4250  4.932469E+00  9.702667E-01
    7.4750  4.282700E+00  9.735667E-01
    7.5250  6.637770E+00  9.787500E-01
    7.5750  3.285747E+00  9.813500E-01
    7.6250  3.325946E+00  9.840167E-01
    7.6750  2.667236E+00  9.861833E-01
    7.7250  7.898462E-01  9.868333E-01
    7.7750  1.099605E+00  9.877500E-01
    7.8250  1.539575E+00  9.890500E-01
    7.8750  3.351987E+00  9.919167E-01
    7.9250  2.828745E+00  9.943667E-01
    7.9750  1.311181E+00  9.955167E-01
    8.0250  2.627320E-01  9.957500E-01
    8.0750  1.686675E+00  9.972667E-01
    8.1250  6.224540E-01  9.978333E-01
    8.1750  2.170105E-01  9.980333E-01
    8.2250  5.359503E-01  9.985333E-01
    8.2750  1.111936E+00  9.995833E-01
    8.3250  4.359600E-01  1.000000E+00
    8.3750  0.000000E+00  1.000000E+00
    8.4250  0.000000E+00  1.000000E+00
    8.4750  0.000000E+00  1.000000E+00
    8.5250  0.000000E+00  1.000000E+00
    8.5750  0.000000E+00  1.000000E+00
    8.6250  0.000000E+00  1.000000E+00
    8.6750  0.000000E+00  1.000000E+00
    8.7250  0.000000E+00  1.000000E+00
    8.7750  0.000000E+00  1.000000E+00
    8.8250  0.000000E+00  1.000000E+00
    8.8750  0.000000E+00  1.000000E+00
    8.9250  0.000000E+00  1.000000E+00
    8.9750  0.000000E+00  1.000000E+00
    9.0250  0.000000E+00  1.000000E+00
    9.0750  0.000000E+00  1.000000E+00
    9.1250  0.000000E+00  1.000000E+00
    9.1750  0.000000E+00  1.000000E+00
    9.2250  0.000000E+00  1.000000E+00
    9.2750  0.000000E+00  1.000000E+00
    9.3250  0.000000E+00  1.000000E+00
    9.3750  0.000000E+00  1.000000E+00
    9.4250  0.000000E+00  1.000000E+00
    9.4750  0.000000E+00  1.000000E+00
    9.5250  0.000000E+00  1.000000E+00
    9.5750  0.000000E+00  1.000000E+00
    9.6250  0.000000E+00  1.000000E+00
    9.6750  0.000000E+00  1.000000E+00
    9.7250  0.000000E+00  1.000000E+00
    9.7750  0.000000E+00  1.000000E+00
    9.8250  0.000000E+00  1.000000E+00
    9.8750  0.000000E+00  1.000000E+00
    9.9250  0.000000E+00  1.000000E+00
    9.9750  0.000000E+00  1.000000E+00
   10.0250  0.000000E+00  1.000000E+00
   10.0750  0.000000E+00  1.000000E+00
   10.1250  0.000000E+00  1.000000E+00
   10.1750  0.000000E+00  1.000000E+00
   10.2250  0.000000E+00  1.000000E+00
   10.2750  0.000000E+00  1.000000E+00
   10.3250  0.000000E+00  1.000000E+00
   10.3750  0.000000E+00  1.000000E+00
   10.4250  0.000000E+00  1.000000E+00
   10.4750  0.000000E+00  1.000000E+00
   10.5250  0.000000E+00  1.000000E+00
   10.5750  0.000000E+00  1.000000E+00
   10.6250  0.000000E+00  1.000000E+00
   10.6750  0.000000E+00  1.000000E+00
   10.7250  0.000000E+00  1.000000E+00
   10.7750  0.000000E+00  1.000000E+00
   10.8250  0.000000E+00  1.000000E+00
   10.8750  0.000000E+00  1.000000E+00
   10.9250  0.000000E+00  1.000000E+00
   10.9750  0.000000E+00  1.000000E+00
   11.0250  0.000000E+00  1.000000E+00
   11.0750  0.000000E+00  1.000000E+00
   11.1250  0.000000E+00  1.000000E+00
   11.1750  0.000000E+00  1.000000E+00
   11.2250  0.000000E+00  1.000000E+00
   11.2750  0.000000E+00  1.000000E+00
   11.3250  0.000000E+00  1.000000E+00
   11.3750  0.000000E+00  1.000000E+00
   11.4250  0.000000E+00  1.000000E+00
   11.4750  0.000000E+00  1.000000E+00
   11.5250  0.000000E+00  1.000000E+00
   11.5750  0.000000E+00  1.000000E+00
   11.6250  0.000000E+00  1.000000E+00
   11.6750  0.000000E+00  1.000000E+00
   11.7250  0.000000E+00  1.000000E+00
   11.7750  0.000000E+00  1.000000E+00
   11.8250  0.000000E+00  1.000000E+00
   11.8750  0.000000E+00  1.000000E+00
   11.9250  0.000000E+00  1.000000E+00
   11.9750  0.000000E+00  1.000000E+00
   12.0250  0.000000E+00  1.000000E+00
   12.0750  0.000000E+00  1.000000E+00
   12.1250  0.000000E+00  1.000000E+00
   12.1750  0.000000E+00  1.000000E+00
   12.2250  0.000000E+00  1.000000E+00
   12.2750  0.000000E+00  1.000000E+00
   12.3250  0.000000E+00  1.000000E+00
   12.3750  0.000000E+00  1.000000E+00
   12.4250  0.000000E+00  1.000000E+00
   12.4750  0.000000E+00  1.000000E+00
   12.5250  0.000000E+00  1.000000E+00
   12.5750  0.000000E+00  1.000000E+00
   12.6250  0.000000E+00  1.000000E+00
   12.6750  0.000000E+00  1.000000E+00
   12.7250  0.000000E+00  1.000000E+00
   12.7750  0.000000E+00  1.000000E+00
   12.8250  0.000000E+00  1.000000E+00
   12.8750  0.000000E+00  1.000000E+00
   12.9250  0.000000E+00  1.000000E+00
   12.9750  0.000000E+00  1.000000E+00
   13.0250  0.000000E+00  1.000000E+00
   13.0750  0.000000E+00  1.000000E+00
   13.1250  0.000000E+00  1.000000E+00
   13.1750  0.000000E+00  1.000000E+00
   13.2250  0.000000E+00  1.000000E+00
   13.2750  0.000000E+00  1.000000E+00
   13.3250  0.000000E+00  1.000000E+00
   13.3750  0.000000E+00  1.000000E+00
   13.4250  0.000000E+00  1.000000E+00
   13.4750  0.000000E+00  1.000000E+00
   13.5250  0.000000E+00  1.000000E+00
   13.5750  0.000000E+00  1.000000E+00
   13.6250  0.000000E+00  1.000000E+00
   13.6750  0.000000E+00  1.000000E+00
   13.7250  0.000000E+00  1.000000E+00
   13.7750  0.000000E+00  1.000000E+00
   13.8250  0.000000E+00  1.000000E+00
   13.8750  0.000000E+00  1.000000E+00
   13.9250  0.000000E+00  1.000000E+00
   13.9750  0.000000E+00  1.000000E+00
   14.0250  0.000000E+00  1.000000E+00
   14.0750  0.000000E+00  1.000000E+00
   14.1250  0.000000E+00  1.000000E+00
   14.1750  0.000000E+00  1.000000E+00
   14.2250  0.000000E+00  1.000000E+00
   14.2750  0.000000E+00  1.000000E+00
   14.3250  0.000000E+00  1.000000E+00
   14.3750  0.000000E+00  1.000000E+00
   14.4250  0.000000E+00  1.000000E+00
   14.4750  0.000000E+00  1.000000E+00
   14.5250  0.000000E+00  1.000000E+00
   14.5750  0.000000E+00  1.000000E+00
   14.6250  0.000000E+00  1.000000E+00
   14.6750  0.000000E+00  1.000000E+00
   14.7250  0.000000E+00  1.000000E+00
   14.7750  0.000000E+00  1.000000E+00
   14.8250  0.000000E+00  1.000000E+00
   14.8750  0.000000E+00  1.000000E+00
   14.9250  0.000000E+00  1.000000E+00
   14.9750  0.000000E+00  1.000000E+00
   15.0250  0.000000E+00  1.000000E+00
   15.0750  0.000000E+00  1.000000E+00
   15.1250  0.000000E+00  1.000000E+00
   15.1750  0.000000E+00  1.000000E+00
   15.2250  0.000000E+00  1.000000E+00
   15.2750  0.000000E+00  1.000000E+00
   15.3250  0.000000E+00  1.000000E+00
   15.3750  0.000000E+00  1.000000E+00
   15.4250  0.000000E+00  1.000000E+00
   15.4750  0.000000E+00  1.000000E+00
   15.5250  0.000000E+00  1.000000E+00
   15.5750  0.000000E+00  1.000000E+00
   15.6250  0.000000E+00  1.000000E+00
   15.6750  0.000000E+00  1.000000E+00
   15.7250  0.000000E+00  1.000000E+00
   15.7750  0.000000E+00  1.000000E+00
   15.8250  0.000000E+00  1.000000E+00
   15.8750  0.000000E+00  1.000000E+00
   15.9250  0.000000E+00  1.000000E+00
   15.9750  0.000000E+00  1.000000E+00

g(r)  :C       OW      

        r      g(r)         n(r)

    2.8250  0.000000E+00  0.000000E+00
    2.8750  0.000000E+00  0.000000E+00
    2.9250  1.963526E-03  2.833333E-04
    2.9750  3.572858E-03  8.166667E-04
    3.0250  6.587478E-03  1.833333E-03
    3.0750  5.225408E-03  2.666667E-03
    3.1250  9.613118E-03  4.250000E-03
    3.1750  1.078316E-02  6.083333E-03
    3.2250  1.377685E-02  8.500000E-03
    3.2750  2.284918E-02  1.263333E-02
    3.3250  2.761957E-02  1.778333E-02
    3.3750  3.522253E-02  2.455000E-02
    3.4250  5.012312E-02  3.446667E-02
    3.4750  7.004976E-02  4.873333E-02
    3.5250  1.115789E-01  7.211667E-02
    3.5750  1.402581E-01  1.023500E-01
    3.6250  1.601042E-01  1.378333E-01
    3.6750  2.049471E-01  1.845167E-01
    3.7250  2.614420E-01  2.457000E-01
    3.7750  2.510951E-01  3.060500E-01
    3.8250  3.037413E-01  3.810000E-01
    3.8750  3.222122E-01  4.626000E-01
    3.9250  3.051391E-01  5.418833E-01
    3.9750  3.029522E-01  6.226167E-01
    4.0250  2.916904E-01  7.023167E-01
    4.0750  3.060595E-01  7.880333E-01
    4.1250  2.715634E-01  8.659667E-01
    4.1750  3.039895E-01  9.553333E-01
    4.2250  2.617393E-01  1.034133E+00
    4.2750  2.367815E-01  1.107117E+00
    4.3250  2.329233E-01  1.180600E+00
    4.3750  2.449254E-01  1.259667E+00
    4.4250  2.500705E-01  1.342250E+00
    4.4750  2.377037E-01  1.422533E+00
    4.5250  2.767363E-01  1.518100E+00
    4.5750  2.663297E-01  1.612117E+00
    4.6250  2.873972E-01  1.715800E+00
    4.6750  2.888335E-01  1.822267E+00
    4.7250  3.144011E-01  1.940650E+00
    4.7750  3.113620E-01  2.060383E+00
    4.8250  2.973018E-01  2.177117E+00
    4.8750  3.061207E-01  2.299817E+00
    4.9250  3.018923E-01  2.423317E+00
    4.9750  3.386557E-01  2.564683E+00
    5.0250  3.149258E-01  2.698800E+00
    5.0750  3.044921E-01  2.831067E+00
    5.1250  3.105065E-01  2.968617E+00
    5.1750  3.147566E-01  3.110783E+00
    5.2250  2.943912E-01  3.246333E+00
    5.2750  3.086182E-01  3.391167E+00
    5.3250  2.999224E-01  3.534600E+00
    5.3750  3.246057E-01  3.692767E+00
    5.4250  3.424226E-01  3.862733E+00
    5.4750  3.517573E-01  4.040567E+00
    5.5250  3.632570E-01  4.227583E+00
    5.5750  3.589325E-01  4.415733E+00
    5.6250  3.393374E-01  4.596817E+00
    5.6750  3.737034E-01  4.799800E+00
    5.7250  3.524909E-01  4.994650E+00
    5.7750  3.503249E-01  5.191700E+00
    5.8250  3.494624E-01  5.391683E+00
    5.8750  3.571677E-01  5.599600E+00
    5.9250  3.428046E-01  5.802567E+00
    5.9750  3.590972E-01  6.018783E+00
    6.0250  3.496773E-01  6.232867E+00
    6.0750  3.591006E-01  6.456383E+00
    6.1250  3.813941E-01  6.697700E+00
    6.1750  3.706555E-01  6.936067E+00
    6.2250  3.829078E-01  7.186317E+00
    6.2750  3.826024E-01  7.440400E+00
    6.3250  4.153836E-01  7.720667E+00
    6.3750  4.128325E-01  8.003633E+00
    6.4250  4.206039E-01  8.296467E+00
    6.4750  4.319760E-01  8.601917E+00
    6.5250  4.517252E-01  8.926283E+00
    6.5750  4.591678E-01  9.261067E+00
    6.6250  4.929031E-01  9.625933E+00
    6.6750  4.876314E-01  9.992367E+00
    6.7250  4.933210E-01  1.036865E+01
    6.7750  4.984888E-01  1.075455E+01
    6.8250  5.293139E-01  1.117038E+01
    6.8750  5.329119E-01  1.159520E+01
    6.9250  5.437697E-01  1.203500E+01
    6.9750  5.735389E-01  1.250560E+01
    7.0250  5.748351E-01  1.298405E+01
    7.0750  5.756822E-01  1.347005E+01
    7.1250  5.827949E-01  1.396903E+01
    7.1750  5.801906E-01  1.447278E+01
    7.2250  5.933908E-01  1.499520E+01
    7.2750  5.695221E-01  1.550357E+01
    7.3250  5.468554E-01  1.599843E+01
    7.3750  5.592876E-01  1.651148E+01
    7.4250  5.868594E-01  1.705715E+01
    7.4750  5.830671E-01  1.760662E+01
    7.5250  6.034067E-01  1.818288E+01
    7.5750  5.937106E-01  1.875745E+01
    7.6250  6.074508E-01  1.935310E+01
    7.6750  5.966765E-01  1.994588E+01
    7.7250  5.784621E-01  2.052808E+01
    7.7750  5.923957E-01  2.113205E+01
    7.8250  6.119147E-01  2.176397E+01
    7.8750  6.097940E-01  2.240177E+01
    7.9250  6.126186E-01  2.305068E+01
    7.9750  5.766823E-01  2.366927E+01
    8.0250  6.105504E-01  2.433242E+01
    8.0750  6.161070E-01  2.500997E+01
    8.1250  6.137119E-01  2.569327E+01
    8.1750  6.175839E-01  2.638937E+01
    8.2250  6.067238E-01  2.708162E+01
    8.2750  6.155051E-01  2.779245E+01
    8.3250  6.381057E-01  2.853832E+01
    8.3750  6.248033E-01  2.927743E+01
    8.4250  6.272940E-01  3.002838E+01
    8.4750  6.455874E-01  3.081043E+01
    8.5250  6.666324E-01  3.162753E+01
    8.5750  6.608565E-01  3.244708E+01
    8.6250  6.498956E-01  3.326247E+01
    8.6750  6.605995E-01  3.410092E+01
    8.7250  6.741315E-01  3.496643E+01
    8.7750  6.706804E-01  3.583742E+01
    8.8250  6.695100E-01  3.671682E+01
    8.8750  6.821995E-01  3.762307E+01
    8.9250  6.672328E-01  3.851945E+01
    8.9750  6.859872E-01  3.945138E+01
    9.0250  6.881984E-01  4.039677E+01
    9.0750  6.818957E-01  4.134390E+01
    9.1250  7.004584E-01  4.232757E+01
    9.1750  7.012031E-01  4.332310E+01
    9.2250  6.971411E-01  4.432368E+01
    9.2750  7.272317E-01  4.537880E+01
    9.3250  7.300229E-01  4.644942E+01
    9.3750  7.302735E-01  4.753192E+01
    9.4250  7.274852E-01  4.862182E+01
    9.4750  7.287216E-01  4.972518E+01
    9.5250  7.352293E-01  5.085018E+01
    9.5750  7.395460E-01  5.199370E+01
    9.6250  7.567367E-01  5.317605E+01
    9.6750  7.634832E-01  5.438137E+01
    9.7250  7.417870E-01  5.556457E+01
    9.7750  7.478282E-01  5.676970E+01
    9.8250  7.833657E-01  5.804505E+01
    9.8750  7.695855E-01  5.931075E+01
    9.9250  7.791061E-01  6.060512E+01
    9.9750  7.763107E-01  6.190787E+01
   10.0250  7.468557E-01  6.317378E+01
   10.0750  7.745284E-01  6.449973E+01
   10.1250  7.683629E-01  6.582822E+01
   10.1750  7.759494E-01  6.718310E+01
   10.2250  7.994290E-01  6.859273E+01
   10.2750  7.791530E-01  6.998008E+01
   10.3250  8.024655E-01  7.142288E+01
   10.3750  8.001019E-01  7.287540E+01
   10.4250  8.155957E-01  7.437035E+01
   10.4750  7.925447E-01  7.583702E+01
   10.5250  7.913752E-01  7.731553E+01
   10.5750  8.030850E-01  7.883022E+01
   10.6250  8.099354E-01  8.037230E+01
   10.6750  8.243058E-01  8.195655E+01
   10.7250  8.118011E-01  8.353142E+01
   10.7750  8.113236E-01  8.512007E+01
   10.8250  8.321142E-01  8.676458E+01
   10.8750  8.292513E-01  8.841862E+01
   10.9250  8.453081E-01  9.012022E+01
   10.9750  8.428251E-01  9.183238E+01
   11.0250  8.148646E-01  9.350287E+01
   11.0750  8.183679E-01  9.519578E+01
   11.1250  8.023332E-01  9.687055E+01
   11.1750  7.952962E-01  9.854558E+01
   11.2250  8.031363E-01  1.002523E+02
   11.2750  8.095315E-01  1.019880E+02
   11.3250  8.313853E-01  1.037863E+02
   11.3750  8.293012E-01  1.055961E+02
   11.4250  8.424464E-01  1.074507E+02
   11.4750  8.587912E-01  1.093579E+02
   11.5250  8.597555E-01  1.112839E+02
   11.5750  8.582297E-01  1.132232E+02
   11.6250  8.564643E-01  1.151752E+02
   11.6750  8.768172E-01  1.171909E+02
   11.7250  8.661994E-01  1.191993E+02
   11.7750  8.933408E-01  1.212883E+02
   11.8250  8.872226E-01  1.233806E+02
   11.8750  8.944554E-01  1.255079E+02
   11.9250  8.913415E-01  1.276457E+02
   11.9750  8.947743E-01  1.298097E+02
   12.0250  9.110699E-01  1.320316E+02
   12.0750  9.113007E-01  1.342726E+02
   12.1250  9.218215E-01  1.365582E+02
   12.1750  9.252590E-01  1.388713E+02
   12.2250  9.222750E-01  1.411960E+02
   12.2750  9.362692E-01  1.435753E+02
   12.3250  9.587692E-01  1.460316E+02
   12.3750  9.415772E-01  1.484635E+02
   12.4250  9.342192E-01  1.508959E+02
   12.4750  9.595936E-01  1.534146E+02
   12.5250  9.613650E-01  1.559581E+02
   12.5750  9.576285E-01  1.585121E+02
   12.6250  9.616026E-01  1.610971E+02
   12.6750  9.375091E-01  1.636373E+02
   12.7250  9.515711E-01  1.662360E+02
   12.7750  9.500347E-01  1.688509E+02
   12.8250  9.506863E-01  1.714882E+02
   12.8750  9.703162E-01  1.742009E+02
   12.9250  9.704840E-01  1.769352E+02
   12.9750  9.866336E-01  1.797366E+02
   13.0250  9.814673E-01  1.825448E+02
   13.0750  9.884265E-01  1.853947E+02
   13.1250  1.003919E+00  1.883114E+02
   13.1750  1.003533E+00  1.912493E+02
   13.2250  9.972471E-01  1.941910E+02
   13.2750  1.003903E+00  1.971747E+02
   13.3250  1.007993E+00  2.001932E+02
   13.3750  9.924164E-01  2.031874E+02
   13.4250  9.983452E-01  2.062221E+02
   13.4750  1.007403E+00  2.093071E+02
   13.5250  9.996869E-01  2.123913E+02
   13.5750  9.903683E-01  2.154693E+02
   13.6250  1.003400E+00  2.186109E+02
   13.6750  1.002845E+00  2.217738E+02
   13.7250  1.010015E+00  2.249827E+02
   13.7750  1.005086E+00  2.281992E+02
   13.8250  1.015460E+00  2.314725E+02
   13.8750  1.011563E+00  2.347569E+02
   13.9250  1.000831E+00  2.380300E+02
   13.9750  9.970320E-01  2.413140E+02
   14.0250  9.977228E-01  2.446239E+02
   14.0750  1.004325E+00  2.479795E+02
   14.1250  1.011730E+00  2.513839E+02
   14.1750  1.014102E+00  2.548205E+02
   14.2250  1.027697E+00  2.583278E+02
   14.2750  1.034642E+00  2.618836E+02
   14.3250  1.027147E+00  2.654385E+02
   14.3750  1.030038E+00  2.690283E+02
   14.4250  1.034788E+00  2.726597E+02
   14.4750  1.036207E+00  2.763214E+02
   14.5250  1.041657E+00  2.800279E+02
   14.5750  1.042282E+00  2.837621E+02
   14.6250  1.033906E+00  2.874918E+02
   14.6750  1.044420E+00  2.912852E+02
   14.7250  1.035840E+00  2.950731E+02
   14.7750  1.068383E+00  2.990066E+02
   14.8250  1.064115E+00  3.029510E+02
   14.8750  1.063869E+00  3.069211E+02
   14.9250  1.070519E+00  3.109429E+02
   14.9750  1.078193E+00  3.150208E+02
   15.0250  1.073625E+00  3.191085E+02
   15.0750  1.058875E+00  3.231669E+02
   15.1250  1.054927E+00  3.272371E+02
   15.1750  1.071147E+00  3.313972E+02
   15.2250  1.068164E+00  3.355731E+02
   15.2750  1.079200E+00  3.398199E+02
   15.3250  1.083631E+00  3.441121E+02
   15.3750  1.075834E+00  3.484013E+02
   15.4250  1.092001E+00  3.527833E+02
   15.4750  1.071309E+00  3.571102E+02
   15.5250  1.074538E+00  3.614782E+02
   15.5750  1.088903E+00  3.659332E+02
   15.6250  1.078950E+00  3.703758E+02
   15.6750  1.073638E+00  3.748249E+02
   15.7250  1.062997E+00  3.792581E+02
   15.7750  1.068309E+00  3.837418E+02
   15.8250  1.065717E+00  3.882430E+02
   15.8750  1.081192E+00  3.928384E+02
   15.9250  1.060327E+00  3.973736E+02
   15.9750  1.069379E+00  4.019763E+02

g(r)  :C       HW      

        r      g(r)         n(r)

    2.0750  0.000000E+00  0.000000E+00
    2.1250  0.000000E+00  0.000000E+00
    2.1750  1.984431E-03  3.166667E-04
    2.2250  1.696643E-03  6.000000E-04
    2.2750  9.546401E-04  7.666667E-04
    2.3250  9.140234E-04  9.333333E-04
    2.3750  1.839484E-03  1.283333E-03
    2.4250  2.436571E-03  1.766667E-03
    2.4750  8.146596E-03  3.450000E-03
    2.5250  1.170200E-02  5.966667E-03
    2.5750  2.034298E-02  1.051667E-02
    2.6250  3.054624E-02  1.761667E-02
    2.6750  5.889912E-02  3.183333E-02
    2.7250  8.237500E-02  5.246667E-02
    2.7750  9.778387E-02  7.786667E-02
    2.8250  1.234516E-01  1.111000E-01
    2.8750  1.389813E-01  1.498500E-01
    2.9250  1.419514E-01  1.908167E-01
    2.9750  1.369410E-01  2.317000E-01
    3.0250  1.464904E-01  2.769167E-01
    3.0750  1.360174E-01  3.203000E-01
    3.1250  1.378723E-01  3.657167E-01
    3.1750  1.279275E-01  4.092167E-01
    3.2250  1.133027E-01  4.489667E-01
    3.2750  1.126796E-01  4.897333E-01
    3.3250  1.002439E-01  5.271167E-01
    3.3750  9.846692E-02  5.649500E-01
    3.4250  9.653965E-02  6.031500E-01
    3.4750  9.926443E-02  6.435833E-01
    3.5250  1.082387E-01  6.889500E-01
    3.5750  1.118818E-01  7.371833E-01
    3.6250  1.084407E-01  7.852500E-01
    3.6750  1.145465E-01  8.374333E-01
    3.7250  1.146969E-01  8.911167E-01
    3.7750  1.193759E-01  9.485000E-01
    3.8250  1.228946E-01  1.009150E+00
    3.8750  1.428764E-01  1.081517E+00
    3.9250  1.575408E-01  1.163383E+00
    3.9750  1.668614E-01  1.252317E+00
    4.0250  1.742396E-01  1.347533E+00
    4.0750  1.872182E-01  1.452400E+00
    4.1250  2.016109E-01  1.568117E+00
    4.1750  2.235701E-01  1.699567E+00
    4.2250  2.248699E-01  1.834967E+00
    4.2750  2.476500E-01  1.987633E+00
    4.3250  2.551908E-01  2.148650E+00
    4.3750  2.687519E-01  2.322167E+00
    4.4250  2.634194E-01  2.496150E+00
    4.4750  2.669171E-01  2.676450E+00
    4.5250  2.706793E-01  2.863400E+00
    4.5750  2.772831E-01  3.059167E+00
    4.6250  2.888986E-01  3.267617E+00
    4.6750  3.014937E-01  3.489883E+00
    4.7250  2.907646E-01  3.708850E+00
    4.7750  2.922052E-01  3.933583E+00
    4.8250  3.028624E-01  4.171417E+00
    4.8750  3.183248E-01  4.426600E+00
    4.9250  3.104683E-01  4.680617E+00
    4.9750  3.092699E-01  4.938817E+00
    5.0250  3.163347E-01  5.208250E+00
    5.0750  3.105735E-01  5.478067E+00
    5.1250  3.137421E-01  5.756033E+00
    5.1750  3.231145E-01  6.047917E+00
    5.2250  3.204712E-01  6.343033E+00
    5.2750  3.305482E-01  6.653283E+00
    5.3250  3.215122E-01  6.960800E+00
    5.3750  3.146691E-01  7.267450E+00
    5.4250  3.176592E-01  7.582800E+00
    5.4750  3.144222E-01  7.900717E+00
    5.5250  3.349792E-01  8.245633E+00
    5.5750  3.285843E-01  8.590117E+00
    5.6250  3.242211E-01  8.936150E+00
    5.6750  3.264497E-01  9.290783E+00
    5.7250  3.404608E-01  9.667183E+00
    5.7750  3.480729E-01  1.005875E+01
    5.8250  3.549961E-01  1.046505E+01
    5.8750  3.525009E-01  1.087545E+01
    5.9250  3.621574E-01  1.130430E+01
    5.9750  3.732834E-01  1.175382E+01
    6.0250  3.799083E-01  1.221900E+01
    6.0750  3.850605E-01  1.269835E+01
    6.1250  3.960266E-01  1.319950E+01
    6.1750  4.002520E-01  1.371430E+01
    6.2250  4.105899E-01  1.425098E+01
    6.2750  4.277391E-01  1.481910E+01
    6.3250  4.208427E-01  1.538700E+01
    6.3750  4.176592E-01  1.595955E+01
    6.4250  4.271631E-01  1.655435E+01
    6.4750  4.319642E-01  1.716523E+01
    6.5250  4.341895E-01  1.778878E+01
    6.5750  4.452353E-01  1.843803E+01
    6.6250  4.623162E-01  1.912248E+01
    6.6750  4.717400E-01  1.983147E+01
    6.7250  4.936051E-01  2.058447E+01
    6.7750  4.925037E-01  2.134700E+01
    6.8250  4.934499E-01  2.212232E+01
    6.8750  4.922782E-01  2.290717E+01
    6.9250  5.079552E-01  2.372883E+01
    6.9750  5.162886E-01  2.457608E+01
    7.0250  5.206196E-01  2.544273E+01
    7.0750  5.405115E-01  2.635535E+01
    7.1250  5.366992E-01  2.727438E+01
    7.1750  5.332379E-01  2.820035E+01
    7.2250  5.273596E-01  2.912892E+01
    7.2750  5.415333E-01  3.009568E+01
    7.3250  5.405842E-01  3.107407E+01
    7.3750  5.545637E-01  3.209150E+01
    7.4250  5.603665E-01  3.313357E+01
    7.4750  5.730393E-01  3.421360E+01
    7.5250  5.803095E-01  3.532202E+01
    7.5750  5.811988E-01  3.644693E+01
    7.6250  5.778083E-01  3.758010E+01
    7.6750  5.866695E-01  3.874578E+01
    7.7250  5.860216E-01  3.992540E+01
    7.7750  5.975696E-01  4.114388E+01
    7.8250  6.052411E-01  4.239393E+01
    7.8750  6.015398E-01  4.365227E+01
    7.9250  5.977496E-01  4.491860E+01
    7.9750  5.969280E-01  4.619920E+01
    8.0250  6.002234E-01  4.750307E+01
    8.0750  6.053543E-01  4.883452E+01
    8.1250  6.090415E-01  5.019072E+01
    8.1750  6.021613E-01  5.154815E+01
    8.2250  6.041967E-01  5.292688E+01
    8.2750  6.149928E-01  5.434737E+01
    8.3250  6.235333E-01  5.580503E+01
    8.3750  6.296992E-01  5.729485E+01
    8.4250  6.477527E-01  5.884573E+01
    8.4750  6.616298E-01  6.044870E+01
    8.5250  6.781495E-01  6.211113E+01
    8.5750  6.642500E-01  6.375865E+01
    8.6250  6.645679E-01  6.542623E+01
    8.6750  6.654449E-01  6.711543E+01
    8.7250  6.695296E-01  6.883465E+01
    8.7750  6.719125E-01  7.057982E+01
    8.8250  6.745348E-01  7.235182E+01
    8.8750  6.863585E-01  7.417537E+01
    8.9250  6.935150E-01  7.603875E+01
    8.9750  6.959490E-01  7.792968E+01
    9.0250  6.989539E-01  7.985000E+01
    9.0750  7.028705E-01  8.180253E+01
    9.1250  7.021496E-01  8.377462E+01
    9.1750  7.040087E-01  8.577365E+01
    9.2250  6.986332E-01  8.777910E+01
    9.2750  6.908052E-01  8.978363E+01
    9.3250  6.951566E-01  9.182260E+01
    9.3750  7.032944E-01  9.390762E+01
    9.4250  7.132623E-01  9.604480E+01
    9.4750  7.272191E-01  9.824698E+01
    9.5250  7.322665E-01  1.004879E+02
    9.5750  7.324804E-01  1.027531E+02
    9.6250  7.464216E-01  1.050856E+02
    9.6750  7.490463E-01  1.074506E+02
    9.7250  7.441536E-01  1.098246E+02
    9.7750  7.445549E-01  1.122243E+02
    9.8250  7.522802E-01  1.146738E+02
    9.8750  7.574552E-01  1.171653E+02
    9.9250  7.756200E-01  1.197424E+02
    9.9750  7.735547E-01  1.223387E+02
   10.0250  7.822638E-01  1.249905E+02
   10.0750  7.790749E-01  1.276580E+02
   10.1250  7.830247E-01  1.303657E+02
   10.1750  7.873176E-01  1.331151E+02
   10.2250  7.990792E-01  1.359332E+02
   10.2750  7.964273E-01  1.387694E+02
   10.3250  7.879861E-01  1.416029E+02
   10.3750  7.981235E-01  1.445008E+02
   10.4250  7.968555E-01  1.474220E+02
   10.4750  8.098050E-01  1.504192E+02
   10.5250  8.093016E-01  1.534432E+02
   10.5750  8.134106E-01  1.565115E+02
   10.6250  8.117343E-01  1.596025E+02
   10.6750  8.154952E-01  1.627372E+02
   10.7250  8.134334E-01  1.658932E+02
   10.7750  8.162093E-01  1.690897E+02
   10.8250  8.132238E-01  1.723040E+02
   10.8750  8.121970E-01  1.755441E+02
   10.9250  8.239800E-01  1.788614E+02
   10.9750  8.228066E-01  1.822044E+02
   11.0250  8.204011E-01  1.855681E+02
   11.0750  8.249543E-01  1.889811E+02
   11.1250  8.292810E-01  1.924432E+02
   11.1750  8.269175E-01  1.959264E+02
   11.2250  8.352098E-01  1.994762E+02
   11.2750  8.473534E-01  2.031097E+02
   11.3250  8.420914E-01  2.067528E+02
   11.3750  8.546612E-01  2.104829E+02
   11.4250  8.594729E-01  2.142671E+02
   11.4750  8.526785E-01  2.180543E+02
   11.5250  8.584237E-01  2.219004E+02
   11.5750  8.595721E-01  2.257850E+02
   11.6250  8.676195E-01  2.297400E+02
   11.6750  8.695238E-01  2.337379E+02
   11.7250  8.730174E-01  2.377862E+02
   11.7750  8.820903E-01  2.419116E+02
   11.8250  8.879081E-01  2.460995E+02
   11.8750  8.889823E-01  2.503280E+02
   11.9250  8.869913E-01  2.545827E+02
   11.9750  8.919558E-01  2.588972E+02
   12.0250  8.986524E-01  2.632803E+02
   12.0750  9.065971E-01  2.677391E+02
   12.1250  9.105490E-01  2.722545E+02
   12.1750  9.174990E-01  2.768420E+02
   12.2250  9.266524E-01  2.815134E+02
   12.2750  9.362561E-01  2.862718E+02
   12.3250  9.395489E-01  2.910860E+02
   12.3750  9.420708E-01  2.959524E+02
   12.4250  9.480488E-01  3.008893E+02
   12.4750  9.453920E-01  3.058520E+02
   12.5250  9.567980E-01  3.109150E+02
   12.5750  9.633154E-01  3.160532E+02
   12.6250  9.566582E-01  3.211966E+02
   12.6750  9.579492E-01  3.263878E+02
   12.7250  9.663278E-01  3.316658E+02
   12.7750  9.579337E-01  3.369392E+02
   12.8250  9.670823E-01  3.423046E+02
   12.8750  9.641163E-01  3.476954E+02
   12.9250  9.669052E-01  3.531439E+02
   12.9750  9.673449E-01  3.586371E+02
   13.0250  9.638613E-01  3.641528E+02
   13.0750  9.731717E-01  3.697646E+02
   13.1250  9.684072E-01  3.753917E+02
   13.1750  9.796587E-01  3.811276E+02
   13.2250  9.795255E-01  3.869064E+02
   13.2750  9.840629E-01  3.927560E+02
   13.3250  9.889250E-01  3.986788E+02
   13.3750  9.898201E-01  4.046515E+02
   13.4250  9.866197E-01  4.106495E+02
   13.4750  9.911052E-01  4.167198E+02
   13.5250  9.981203E-01  4.228784E+02
   13.5750  9.996642E-01  4.290923E+02
   13.6250  1.006732E+00  4.353963E+02
   13.6750  1.018666E+00  4.418219E+02
   13.7250  1.017388E+00  4.482865E+02
   13.7750  1.015380E+00  4.547854E+02
   13.8250  1.021610E+00  4.613718E+02
   13.8750  1.026927E+00  4.680404E+02
   13.9250  1.028097E+00  4.747648E+02
   13.9750  1.032186E+00  4.815645E+02
   14.0250  1.039349E+00  4.884605E+02
   14.0750  1.028885E+00  4.953358E+02
   14.1250  1.031041E+00  5.022746E+02
   14.1750  1.029333E+00  5.092510E+02
   14.2250  1.019121E+00  5.162070E+02
   14.2750  1.021579E+00  5.232289E+02
   14.3250  1.034542E+00  5.303897E+02
   14.3750  1.028113E+00  5.375559E+02
   14.4250  1.027113E+00  5.447650E+02
   14.4750  1.027979E+00  5.520302E+02
   14.5250  1.031226E+00  5.593688E+02
   14.5750  1.034071E+00  5.667785E+02
   14.6250  1.032788E+00  5.742298E+02
   14.6750  1.036773E+00  5.817611E+02
   14.7250  1.041708E+00  5.893798E+02
   14.7750  1.048777E+00  5.971025E+02
   14.8250  1.059028E+00  6.049535E+02
   14.8750  1.069707E+00  6.129373E+02
   14.9250  1.065249E+00  6.209413E+02
   14.9750  1.067884E+00  6.290190E+02
   15.0250  1.071679E+00  6.371796E+02
   15.0750  1.066117E+00  6.453520E+02
   15.1250  1.062493E+00  6.535507E+02
   15.1750  1.058818E+00  6.617752E+02
   15.2250  1.064498E+00  6.700983E+02
   15.2750  1.062508E+00  6.784606E+02
   15.3250  1.062388E+00  6.868768E+02
   15.3750  1.064961E+00  6.953684E+02
   15.4250  1.065049E+00  7.039161E+02
   15.4750  1.057755E+00  7.124604E+02
   15.5250  1.058671E+00  7.210674E+02
   15.5750  1.061725E+00  7.297550E+02
   15.6250  1.062672E+00  7.385062E+02
   15.6750  1.065717E+00  7.473388E+02
   15.7250  1.070114E+00  7.562644E+02
   15.7750  1.068305E+00  7.652318E+02
   15.8250  1.056728E+00  7.741582E+02
   15.8750  1.066335E+00  7.832229E+02
   15.9250  1.069876E+00  7.923750E+02
   15.9750  1.066622E+00  8.015566E+02

g(r)  :H       H       

        r      g(r)         n(r)

    2.3250  0.000000E+00  0.000000E+00
    2.3750  0.000000E+00  0.000000E+00
    2.4250  1.233073E+00  6.000000E-04
    2.4750  1.972928E+00  1.600000E-03
    2.5250  1.769197E+00  2.533333E-03
    2.5750  2.916274E+00  4.133333E-03
    2.6250  2.572386E+00  5.600000E-03
    2.6750  3.828282E+00  7.866667E-03
    2.7250  2.821066E+00  9.600000E-03
    2.7750  3.766604E+00  1.200000E-02
    2.8250  4.744984E+00  1.513333E-02
    2.8750  6.238476E+00  1.940000E-02
    2.9250  9.323051E+00  2.600000E-02
    2.9750  1.110608E+01  3.413333E-02
    3.0250  7.308069E+00  3.966667E-02
    3.0750  7.498390E+00  4.553333E-02
    3.1250  7.012854E+00  5.120000E-02
    3.1750  7.273277E+00  5.726667E-02
    3.2250  7.901639E+00  6.406667E-02
    3.2750  6.986137E+00  7.026667E-02
    3.3250  8.089407E+00  7.766667E-02
    3.3750  9.549122E+00  8.666667E-02
    3.4250  1.332472E+01  9.960000E-02
    3.4750  1.207665E+01  1.116667E-01
    3.5250  1.504346E+01  1.271333E-01
    3.5750  1.613860E+01  1.442000E-01
    3.6250  1.992717E+01  1.658667E-01
    3.6750  2.010452E+01  1.883333E-01
    3.7250  1.782643E+01  2.088000E-01
    3.7750  2.199351E+01  2.347333E-01
    3.8250  2.742492E+01  2.679333E-01
    3.8750  2.720468E+01  3.017333E-01
    3.9250  2.866029E+01  3.382667E-01
    3.9750  2.809679E+01  3.750000E-01
    4.0250  2.615975E+01  4.100667E-01
    4.0750  3.148975E+01  4.533333E-01
    4.1250  3.395089E+01  5.011333E-01
    4.1750  3.452929E+01  5.509333E-01
    4.2250  4.482042E+01  6.171333E-01
    4.2750  4.646742E+01  6.874000E-01
    4.3250  5.616758E+01  7.743333E-01
    4.3750  5.968986E+01  8.688667E-01
    4.4250  5.587966E+01  9.594000E-01
    4.4750  4.659112E+01  1.036600E+00
    4.5250  4.977762E+01  1.120933E+00
    4.5750  4.469211E+01  1.198333E+00
    4.6250  4.395703E+01  1.276133E+00
    4.6750  4.991562E+01  1.366400E+00
    4.7250  4.558068E+01  1.450600E+00
    4.7750  4.346499E+01  1.532600E+00
    4.8250  3.381281E+01  1.597733E+00
    4.8750  3.085130E+01  1.658400E+00
    4.9250  2.488002E+01  1.708333E+00
    4.9750  2.125732E+01  1.751867E+00
    5.0250  2.239993E+01  1.798667E+00
    5.0750  2.089710E+01  1.843200E+00
    5.1250  1.472432E+01  1.875200E+00
    5.1750  1.389962E+01  1.906000E+00
    5.2250  1.109678E+01  1.931067E+00
    5.2750  9.873960E+00  1.953800E+00
    5.3250  1.005880E+01  1.977400E+00
    5.3750  9.175315E+00  1.999333E+00
    5.4250  9.362864E+00  2.022133E+00
    5.4750  6.961674E+00  2.039400E+00
    5.5250  5.622083E+00  2.053600E+00
    5.5750  5.158763E+00  2.066867E+00
    5.6250  4.863743E+00  2.079600E+00
    5.6750  3.952826E+00  2.090133E+00
    5.7250  3.195765E+00  2.098800E+00
    5.7750  2.681646E+00  2.106200E+00
    5.8250  2.849521E+00  2.114200E+00
    5.8750  2.194293E+00  2.120467E+00
    5.9250  2.639391E+00  2.128133E+00
    5.9750  3.362738E+00  2.138067E+00
    6.0250  2.042003E+00  2.144200E+00
    6.0750  3.165615E+00  2.153867E+00
    6.1250  4.596046E+00  2.168133E+00
    6.1750  3.444264E+00  2.179000E+00
    6.2250  5.385225E+00  2.196267E+00
    6.2750  4.992812E+00  2.212533E+00
    6.3250  6.122594E+00  2.232800E+00
    6.3750  5.907977E+00  2.252667E+00
    6.4250  6.343370E+00  2.274333E+00
    6.4750  6.245782E+00  2.296000E+00
    6.5250  6.131504E+00  2.317600E+00
    6.5750  7.436429E+00  2.344200E+00
    6.6250  7.453107E+00  2.371267E+00
    6.6750  6.564282E+00  2.395467E+00
    6.7250  9.460043E+00  2.430867E+00
    6.7750  8.583679E+00  2.463467E+00
    6.8250  9.132966E+00  2.498667E+00
    6.8750  1.235879E+01  2.547000E+00
    6.9250  1.271861E+01  2.597467E+00
    6.9750  1.177510E+01  2.644867E+00
    7.0250  1.118359E+01  2.690533E+00
    7.0750  1.063976E+01  2.734600E+00
    7.1250  1.110994E+01  2.781267E+00
    7.1750  1.281810E+01  2.835867E+00
    7.2250  1.029517E+01  2.880333E+00
    7.2750  1.077831E+01  2.927533E+00
    7.3250  1.069174E+01  2.975000E+00
    7.3750  1.111017E+01  3.025000E+00
    7.4250  1.154563E+01  3.077667E+00
    7.4750  1.097352E+01  3.128400E+00
    7.5250  1.266370E+01  3.187733E+00
    7.5750  1.213199E+01  3.245333E+00
    7.6250  1.355323E+01  3.310533E+00
    7.6750  1.273434E+01  3.372600E+00
    7.7250  1.373117E+01  3.440400E+00
    7.7750  1.294202E+01  3.505133E+00
    7.8250  1.388249E+01  3.575467E+00
    7.8750  1.218668E+01  3.638000E+00
    7.9250  1.316232E+01  3.706400E+00
    7.9750  1.147759E+01  3.766800E+00
    8.0250  1.147263E+01  3.827933E+00
    8.0750  9.564002E+00  3.879533E+00
    8.1250  8.811995E+00  3.927667E+00
    8.1750  8.644253E+00  3.975467E+00
    8.2250  8.610935E+00  4.023667E+00
    8.2750  8.283626E+00  4.070600E+00
    8.3250  9.207475E+00  4.123400E+00
    8.3750  8.224836E+00  4.171133E+00
    8.4250  9.444248E+00  4.226600E+00
    8.4750  9.052698E+00  4.280400E+00
    8.5250  8.270542E+00  4.330133E+00
    8.5750  6.804673E+00  4.371533E+00
    8.6250  6.671853E+00  4.412600E+00
    8.6750  5.246155E+00  4.445267E+00
    8.7250  5.704819E+00  4.481200E+00
    8.7750  4.708713E+00  4.511200E+00
    8.8250  4.489979E+00  4.540133E+00
    8.8750  3.140405E+00  4.560600E+00
    8.9250  3.479574E+00  4.583533E+00
    8.9750  2.880764E+00  4.602733E+00
    9.0250  2.433463E+00  4.619133E+00
    9.0750  1.731666E+00  4.630933E+00
    9.1250  1.741770E+00  4.642933E+00
    9.1750  1.732409E+00  4.655000E+00
    9.2250  1.609534E+00  4.666333E+00
    9.2750  1.713986E+00  4.678533E+00
    9.3250  2.140417E+00  4.693933E+00
    9.3750  2.530176E+00  4.712333E+00
    9.4250  2.793651E+00  4.732867E+00
    9.4750  2.441151E+00  4.751000E+00
    9.5250  2.806346E+00  4.772067E+00
    9.5750  2.399216E+00  4.790267E+00
    9.6250  2.009068E+00  4.805667E+00
    9.6750  1.962534E+00  4.820867E+00
    9.7250  2.019079E+00  4.836667E+00
    9.7750  1.838261E+00  4.851200E+00
    9.8250  1.677703E+00  4.864600E+00
    9.8750  1.404620E+00  4.875933E+00
    9.9250  1.472298E+00  4.887933E+00
    9.9750  1.660016E+00  4.901600E+00
   10.0250  1.667550E+00  4.915467E+00
   10.0750  1.436722E+00  4.927533E+00
   10.1250  1.147485E+00  4.937267E+00
   10.1750  9.572394E-01  4.945467E+00
   10.2250  1.109737E+00  4.955067E+00
   10.2750  8.013273E-01  4.962067E+00
   10.3250  8.691646E-01  4.969733E+00
   10.3750  7.410428E-01  4.976333E+00
   10.4250  6.672287E-01  4.982333E+00
   10.4750  5.140133E-01  4.987000E+00
   10.5250  3.273050E-01  4.990000E+00
   10.5750  3.890607E-01  4.993600E+00
   10.6250  2.498012E-01  4.995933E+00
   10.6750  1.414095E-01  4.997267E+00
   10.7250  1.190800E-01  4.998400E+00
   10.7750  9.715784E-02  4.999333E+00
   10.8250  4.125531E-02  4.999733E+00
   10.8750  2.725121E-02  5.000000E+00
   10.9250  0.000000E+00  5.000000E+00
   10.9750  0.000000E+00  5.000000E+00
   11.0250  0.000000E+00  5.000000E+00
   11.0750  0.000000E+00  5.000000E+00
   11.1250  0.000000E+00  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :H       HC      

        r      g(r)         n(r)

    1.5750  0.000000E+00  0.000000E+00
    1.6250  0.000000E+00  0.000000E+00
    1.6750  7.178989E-02  2.333333E-04
    1.7250  3.674533E-01  1.500000E-03
    1.7750  1.388178E+00  6.566667E-03
    1.8250  2.686796E+00  1.693333E-02
    1.8750  4.755268E+00  3.630000E-02
    1.9250  6.553657E+00  6.443333E-02
    1.9750  9.103008E+00  1.055667E-01
    2.0250  1.164130E+01  1.608667E-01
    2.0750  1.397410E+01  2.305667E-01
    2.1250  1.760638E+01  3.226667E-01
    2.1750  2.087549E+01  4.370667E-01
    2.2250  2.319112E+01  5.700667E-01
    2.2750  2.407881E+01  7.144333E-01
    2.3250  2.490145E+01  8.703667E-01
    2.3750  2.596580E+01  1.040033E+00
    2.4250  2.565966E+01  1.214833E+00
    2.4750  2.484010E+01  1.391100E+00
    2.5250  2.505761E+01  1.576167E+00
    2.5750  2.426322E+01  1.762533E+00
    2.6250  2.333939E+01  1.948833E+00
    2.6750  2.359299E+01  2.144400E+00
    2.7250  2.657150E+01  2.372967E+00
    2.7750  3.273732E+01  2.665000E+00
    2.8250  3.922184E+01  3.027600E+00
    2.8750  3.847524E+01  3.396000E+00
    2.9250  2.450160E+01  3.638833E+00
    2.9750  1.637627E+01  3.806733E+00
    3.0250  1.426394E+01  3.957933E+00
    3.0750  1.504547E+01  4.122733E+00
    3.1250  1.587321E+01  4.302300E+00
    3.1750  1.687868E+01  4.499400E+00
    3.2250  1.817986E+01  4.718433E+00
    3.2750  1.883359E+01  4.952433E+00
    3.3250  1.982009E+01  5.206267E+00
    3.3750  2.088176E+01  5.481800E+00
    3.4250  2.046051E+01  5.759833E+00
    3.4750  1.952805E+01  6.033000E+00
    3.5250  1.842684E+01  6.298233E+00
    3.5750  1.695814E+01  6.549300E+00
    3.6250  1.587823E+01  6.791000E+00
    3.6750  1.531489E+01  7.030600E+00
    3.7250  1.390279E+01  7.254067E+00
    3.7750  1.350061E+01  7.476933E+00
    3.8250  1.346071E+01  7.705067E+00
    3.8750  1.317691E+01  7.934267E+00
    3.9250  1.374924E+01  8.179633E+00
    3.9750  1.408664E+01  8.437467E+00
    4.0250  1.445997E+01  8.708833E+00
    4.0750  1.456306E+01  8.988967E+00
    4.1250  1.497992E+01  9.284233E+00
    4.1750  1.525885E+01  9.592333E+00
    4.2250  1.681975E+01  9.940133E+00
    4.2750  1.963592E+01  1.035583E+01
    4.3250  2.384568E+01  1.087253E+01
    4.3750  2.602186E+01  1.144950E+01
    4.4250  2.777524E+01  1.207950E+01
    4.4750  2.643957E+01  1.269283E+01
    4.5250  2.555073E+01  1.329887E+01
    4.5750  2.258940E+01  1.384657E+01
    4.6250  2.012612E+01  1.434527E+01
    4.6750  1.802977E+01  1.480173E+01
    4.7250  1.612544E+01  1.521877E+01
    4.7750  1.510926E+01  1.561783E+01
    4.8250  1.462222E+01  1.601217E+01
    4.8750  1.426207E+01  1.640480E+01
    4.9250  1.409378E+01  1.680080E+01
    4.9750  1.401886E+01  1.720273E+01
    5.0250  1.393500E+01  1.761033E+01
    5.0750  1.343385E+01  1.801113E+01
    5.1250  1.319820E+01  1.841270E+01
    5.1750  1.215572E+01  1.878980E+01
    5.2250  1.206543E+01  1.917137E+01
    5.2750  1.176954E+01  1.955073E+01
    5.3250  1.138718E+01  1.992477E+01
    5.3750  1.153588E+01  2.031083E+01
    5.4250  1.155692E+01  2.070483E+01
    5.4750  1.191318E+01  2.111850E+01
    5.5250  1.181354E+01  2.153623E+01
    5.5750  1.209698E+01  2.197177E+01
    5.6250  1.242946E+01  2.242733E+01
    5.6750  1.209615E+01  2.287860E+01
    5.7250  1.271721E+01  2.336143E+01
    5.7750  1.277578E+01  2.385500E+01
    5.8250  1.262694E+01  2.435130E+01
    5.8750  1.261218E+01  2.485557E+01
    5.9250  1.235760E+01  2.535810E+01
    5.9750  1.194852E+01  2.585223E+01
    6.0250  1.212598E+01  2.636213E+01
    6.0750  1.184065E+01  2.686833E+01
    6.1250  1.232771E+01  2.740407E+01
    6.1750  1.260054E+01  2.796063E+01
    6.2250  1.280588E+01  2.853547E+01
    6.2750  1.255146E+01  2.910797E+01
    6.3250  1.192151E+01  2.966043E+01
    6.3750  1.164673E+01  3.020873E+01
    6.4250  1.134766E+01  3.075137E+01
    6.4750  1.102758E+01  3.128693E+01
    6.5250  1.093695E+01  3.182633E+01
    6.5750  1.073064E+01  3.236370E+01
    6.6250  1.078104E+01  3.291183E+01
    6.6750  1.047999E+01  3.345273E+01
    6.7250  1.060087E+01  3.400810E+01
    6.7750  1.025315E+01  3.455327E+01
    6.8250  9.634587E+00  3.507313E+01
    6.8750  9.790229E+00  3.560917E+01
    6.9250  9.552158E+00  3.613980E+01
    6.9750  9.143030E+00  3.665507E+01
    7.0250  9.330543E+00  3.718847E+01
    7.0750  9.251442E+00  3.772490E+01
    7.1250  9.345386E+00  3.827447E+01
    7.1750  8.976915E+00  3.880980E+01
    7.2250  8.380675E+00  3.931657E+01
    7.2750  8.219115E+00  3.982047E+01
    7.3250  8.238150E+00  4.033250E+01
    7.3750  8.129470E+00  4.084470E+01
    7.4250  8.330393E+00  4.137670E+01
    7.4750  8.592179E+00  4.193283E+01
    7.5250  8.311187E+00  4.247800E+01
    7.5750  8.406940E+00  4.303680E+01
    7.6250  8.430184E+00  4.360457E+01
    7.6750  8.189294E+00  4.416337E+01
    7.7250  7.769714E+00  4.470047E+01
    7.7750  7.746267E+00  4.524290E+01
    7.8250  7.565348E+00  4.577950E+01
    7.8750  7.165660E+00  4.629427E+01
    7.9250  6.943574E+00  4.679943E+01
    7.9750  6.563145E+00  4.728297E+01
    8.0250  6.248375E+00  4.774910E+01
    8.0750  6.006186E+00  4.820277E+01
    8.1250  5.754212E+00  4.864280E+01
    8.1750  5.604383E+00  4.907667E+01
    8.2250  5.234448E+00  4.948687E+01
    8.2750  5.393266E+00  4.991467E+01
    8.3250  5.015616E+00  5.031733E+01
    8.3750  4.858266E+00  5.071207E+01
    8.4250  4.596044E+00  5.108997E+01
    8.4750  4.615289E+00  5.147397E+01
    8.5250  4.751365E+00  5.187397E+01
    8.5750  4.763428E+00  5.227970E+01
    8.6250  4.579549E+00  5.267433E+01
    8.6750  4.523088E+00  5.306863E+01
    8.7250  4.345899E+00  5.345187E+01
    8.7750  4.549888E+00  5.385770E+01
    8.8250  4.480003E+00  5.426187E+01
    8.8750  4.427840E+00  5.466587E+01
    8.9250  4.483491E+00  5.507957E+01
    8.9750  4.342580E+00  5.548477E+01
    9.0250  4.418601E+00  5.590167E+01
    9.0750  4.378081E+00  5.631933E+01
    9.1250  4.517543E+00  5.675507E+01
    9.1750  4.587398E+00  5.720240E+01
    9.2250  4.604418E+00  5.765630E+01
    9.2750  4.715135E+00  5.812617E+01
    9.3250  4.504870E+00  5.857993E+01
    9.3750  4.325003E+00  5.902027E+01
    9.4250  4.424684E+00  5.947557E+01
    9.4750  4.459524E+00  5.993933E+01
    9.5250  4.571097E+00  6.041973E+01
    9.5750  4.567423E+00  6.090480E+01
    9.6250  4.337140E+00  6.137023E+01
    9.6750  4.267527E+00  6.183297E+01
    9.7250  4.358241E+00  6.231043E+01
    9.7750  4.491452E+00  6.280757E+01
    9.8250  4.464336E+00  6.330677E+01
    9.8750  4.481211E+00  6.381297E+01
    9.9250  4.465094E+00  6.432247E+01
    9.9750  4.498239E+00  6.484093E+01
   10.0250  4.545104E+00  6.537007E+01
   10.0750  4.554533E+00  6.590560E+01
   10.1250  4.469241E+00  6.643633E+01
   10.1750  4.312580E+00  6.695353E+01
   10.2250  4.489867E+00  6.749730E+01
   10.2750  4.327440E+00  6.802653E+01
   10.3250  4.275372E+00  6.855450E+01
   10.3750  4.221431E+00  6.908087E+01
   10.4250  4.119343E+00  6.959947E+01
   10.4750  4.044183E+00  7.011350E+01
   10.5250  3.812584E+00  7.060273E+01
   10.5750  3.846863E+00  7.110107E+01
   10.6250  3.671313E+00  7.158117E+01
   10.6750  3.592054E+00  7.205533E+01
   10.7250  3.601168E+00  7.253517E+01
   10.7750  3.553945E+00  7.301313E+01
   10.8250  3.491476E+00  7.348707E+01
   10.8750  3.287421E+00  7.393743E+01
   10.9250  3.240523E+00  7.438547E+01
   10.9750  2.958307E+00  7.479823E+01
   11.0250  2.775287E+00  7.518900E+01
   11.0750  2.681780E+00  7.557003E+01
   11.1250  2.615413E+00  7.594500E+01
   11.1750  2.529155E+00  7.631087E+01
   11.2250  2.650552E+00  7.669773E+01
   11.2750  2.524556E+00  7.706950E+01
   11.3250  2.429171E+00  7.743040E+01
   11.3750  2.292218E+00  7.777397E+01
   11.4250  2.288512E+00  7.812000E+01
   11.4750  2.275605E+00  7.846710E+01
   11.5250  2.134800E+00  7.879557E+01
   11.5750  2.090623E+00  7.912003E+01
   11.6250  1.940448E+00  7.942380E+01
   11.6750  1.747795E+00  7.969977E+01
   11.7250  1.639985E+00  7.996093E+01
   11.7750  1.559258E+00  8.021137E+01
   11.8250  1.484363E+00  8.045180E+01
   11.8750  1.509233E+00  8.069833E+01
   11.9250  1.414650E+00  8.093137E+01
   11.9750  1.284267E+00  8.114470E+01
   12.0250  1.293510E+00  8.136137E+01
   12.0750  1.194798E+00  8.156317E+01
   12.1250  1.101387E+00  8.175073E+01
   12.1750  1.074694E+00  8.193527E+01
   12.2250  1.033573E+00  8.211420E+01
   12.2750  9.537446E-01  8.228067E+01
   12.3250  8.567996E-01  8.243143E+01
   12.3750  7.559380E-01  8.256553E+01
   12.4250  6.816457E-01  8.268743E+01
   12.4750  6.314459E-01  8.280127E+01
   12.5250  5.992668E-01  8.291017E+01
   12.5750  5.038874E-01  8.300247E+01
   12.6250  4.878082E-01  8.309253E+01
   12.6750  4.728622E-01  8.318053E+01
   12.7250  4.465843E-01  8.326430E+01
   12.7750  4.041284E-01  8.334070E+01
   12.8250  3.684429E-01  8.341090E+01
   12.8750  3.287851E-01  8.347403E+01
   12.9250  3.012696E-01  8.353233E+01
   12.9750  3.013451E-01  8.359110E+01
   13.0250  2.780034E-01  8.364573E+01
   13.0750  2.378403E-01  8.369283E+01
   13.1250  2.233363E-01  8.373740E+01
   13.1750  1.483708E-01  8.376723E+01
   13.2250  1.163201E-01  8.379080E+01
   13.2750  1.043418E-01  8.381210E+01
   13.3250  1.134463E-01  8.383543E+01
   13.3750  8.927545E-02  8.385393E+01
   13.4250  5.188973E-02  8.386477E+01
   13.4750  4.706798E-02  8.387467E+01
   13.5250  4.797908E-02  8.388483E+01
   13.5750  3.529030E-02  8.389237E+01
   13.6250  2.991651E-02  8.389880E+01
   13.6750  2.308146E-02  8.390380E+01
   13.7250  3.650899E-02  8.391177E+01
   13.7750  4.033900E-02  8.392063E+01
   13.8250  5.269440E-02  8.393230E+01
   13.8750  4.543958E-02  8.394243E+01
   13.9250  4.229423E-02  8.395193E+01
   13.9750  5.333737E-02  8.396400E+01
   14.0250  3.130651E-02  8.397113E+01
   14.0750  2.658159E-02  8.397723E+01
   14.1250  2.394186E-02  8.398277E+01
   14.1750  2.119543E-02  8.398770E+01
   14.2250  1.706489E-02  8.399170E+01
   14.2750  1.849889E-02  8.399607E+01
   14.3250  8.133274E-03  8.399800E+01
   14.3750  4.595417E-03  8.399910E+01
   14.4250  3.733867E-03  8.400000E+01
   14.4750  0.000000E+00  8.400000E+01
   14.5250  0.000000E+00  8.400000E+01
   14.5750  0.000000E+00  8.400000E+01
   14.6250  0.000000E+00  8.400000E+01
   14.6750  0.000000E+00  8.400000E+01
   14.7250  0.000000E+00  8.400000E+01
   14.7750  0.000000E+00  8.400000E+01
   14.8250  0.000000E+00  8.400000E+01
   14.8750  0.000000E+00  8.400000E+01
   14.9250  0.000000E+00  8.400000E+01
   14.9750  0.000000E+00  8.400000E+01
   15.0250  0.000000E+00  8.400000E+01
   15.0750  0.000000E+00  8.400000E+01
   15.1250  0.000000E+00  8.400000E+01
   15.1750  0.000000E+00  8.400000E+01
   15.2250  0.000000E+00  8.400000E+01
   15.2750  0.000000E+00  8.400000E+01
   15.3250  0.000000E+00  8.400000E+01
   15.3750  0.000000E+00  8.400000E+01
   15.4250  0.000000E+00  8.400000E+01
   15.4750  0.000000E+00  8.400000E+01
   15.5250  0.000000E+00  8.400000E+01
   15.5750  0.000000E+00  8.400000E+01
   15.6250  0.000000E+00  8.400000E+01
   15.6750  0.000000E+00  8.400000E+01
   15.7250  0.000000E+00  8.400000E+01
   15.7750  0.000000E+00  8.400000E+01
   15.8250  0.000000E+00  8.400000E+01
   15.8750  0.000000E+00  8.400000E+01
   15.9250  0.000000E+00  8.400000E+01
   15.9750  0.000000E+00  8.400000E+01

g(r)  :H       N       

        r      g(r)         n(r)

    2.6250  0.000000E+00  0.000000E+00
    2.6750  0.000000E+00  0.000000E+00
    2.7250  3.255077E-01  2.000000E-04
    2.7750  2.458755E+00  1.766667E-03
    2.8250  3.785892E+00  4.266667E-03
    2.8750  2.095738E+00  5.700000E-03
    2.9250  5.885764E+00  9.866667E-03
    2.9750  6.281308E+00  1.446667E-02
    3.0250  4.930745E+00  1.820000E-02
    3.0750  6.731509E+00  2.346667E-02
    3.1250  1.002426E+01  3.156667E-02
    3.1750  1.094988E+01  4.070000E-02
    3.2250  1.487367E+01  5.350000E-02
    3.2750  2.159693E+01  7.266667E-02
    3.3250  2.594440E+01  9.640000E-02
    3.3750  2.981448E+01  1.245000E-01
    3.4250  3.362087E+01  1.571333E-01
    3.4750  4.070033E+01  1.978000E-01
    3.5250  4.934513E+01  2.485333E-01
    3.5750  4.986576E+01  3.012667E-01
    3.6250  4.436095E+01  3.495000E-01
    3.6750  4.119338E+01  3.955333E-01
    3.7250  3.867233E+01  4.399333E-01
    3.7750  3.974662E+01  4.868000E-01
    3.8250  3.692452E+01  5.315000E-01
    3.8750  3.133636E+01  5.704333E-01
    3.9250  3.459631E+01  6.145333E-01
    3.9750  3.161527E+01  6.558667E-01
    4.0250  2.934268E+01  6.952000E-01
    4.0750  2.341110E+01  7.273667E-01
    4.1250  2.102398E+01  7.569667E-01
    4.1750  2.341243E+01  7.907333E-01
    4.2250  2.028880E+01  8.207000E-01
    4.2750  2.506331E+01  8.586000E-01
    4.3250  2.325958E+01  8.946000E-01
    4.3750  2.409904E+01  9.327667E-01
    4.4250  1.868142E+01  9.630333E-01
    4.4750  1.897039E+01  9.944667E-01
    4.5250  1.802225E+01  1.025000E+00
    4.5750  1.535930E+01  1.051600E+00
    4.6250  1.339051E+01  1.075300E+00
    4.6750  1.489358E+01  1.102233E+00
    4.7250  1.577099E+01  1.131367E+00
    4.7750  1.560146E+01  1.160800E+00
    4.8250  1.564318E+01  1.190933E+00
    4.8750  1.735810E+01  1.225067E+00
    4.9250  1.865171E+01  1.262500E+00
    4.9750  2.102945E+01  1.305567E+00
    5.0250  2.299024E+01  1.353600E+00
    5.0750  1.986476E+01  1.395933E+00
    5.1250  1.895756E+01  1.437133E+00
    5.1750  2.406861E+01  1.490467E+00
    5.2250  2.415616E+01  1.545033E+00
    5.2750  2.520611E+01  1.603067E+00
    5.3250  2.280278E+01  1.656567E+00
    5.3750  2.313351E+01  1.711867E+00
    5.4250  1.991662E+01  1.760367E+00
    5.4750  2.026680E+01  1.810633E+00
    5.5250  1.694543E+01  1.853433E+00
    5.5750  1.627992E+01  1.895300E+00
    5.6250  1.574987E+01  1.936533E+00
    5.6750  1.518586E+01  1.977000E+00
    5.7250  1.386470E+01  2.014600E+00
    5.7750  1.009845E+01  2.042467E+00
    5.8250  7.123803E+00  2.062467E+00
    5.8750  6.571208E+00  2.081233E+00
    5.9250  7.149307E+00  2.102000E+00
    5.9750  7.707216E+00  2.124767E+00
    6.0250  7.102620E+00  2.146100E+00
    6.0750  6.680540E+00  2.166500E+00
    6.1250  5.659150E+00  2.184067E+00
    6.1750  6.296876E+00  2.203933E+00
    6.2250  4.813435E+00  2.219367E+00
    6.2750  4.542641E+00  2.234167E+00
    6.3250  4.632225E+00  2.249500E+00
    6.3750  4.331856E+00  2.264067E+00
    6.4250  3.806022E+00  2.277067E+00
    6.4750  4.151043E+00  2.291467E+00
    6.5250  5.459688E+00  2.310700E+00
    6.5750  6.206343E+00  2.332900E+00
    6.6250  6.039587E+00  2.354833E+00
    6.6750  6.283989E+00  2.378000E+00
    6.7250  7.108394E+00  2.404600E+00
    6.7750  5.757560E+00  2.426467E+00
    6.8250  4.151348E+00  2.442467E+00
    6.8750  5.565716E+00  2.464233E+00
    6.9250  7.241374E+00  2.492967E+00
    6.9750  9.050760E+00  2.529400E+00
    7.0250  6.636685E+00  2.556500E+00
    7.0750  6.317862E+00  2.582667E+00
    7.1250  8.832402E+00  2.619767E+00
    7.1750  9.813121E+00  2.661567E+00
    7.2250  9.832120E+00  2.704033E+00
    7.2750  1.017698E+01  2.748600E+00
    7.3250  9.197596E+00  2.789433E+00
    7.3750  1.038431E+01  2.836167E+00
    7.4250  9.667640E+00  2.880267E+00
    7.4750  1.022368E+01  2.927533E+00
    7.5250  1.083529E+01  2.978300E+00
    7.5750  1.046103E+01  3.027967E+00
    7.6250  1.029657E+01  3.077500E+00
    7.6750  9.574694E+00  3.124167E+00
    7.7250  1.059879E+01  3.176500E+00
    7.7750  1.172246E+01  3.235133E+00
    7.8250  1.213238E+01  3.296600E+00
    7.8750  1.238156E+01  3.360133E+00
    7.9250  1.218734E+01  3.423467E+00
    7.9750  1.068581E+01  3.479700E+00
    8.0250  9.696062E+00  3.531367E+00
    8.0750  1.026215E+01  3.586733E+00
    8.1250  1.049018E+01  3.644033E+00
    8.1750  8.861263E+00  3.693033E+00
    8.2250  8.039255E+00  3.738033E+00
    8.2750  7.654118E+00  3.781400E+00
    8.3250  8.568067E+00  3.830533E+00
    8.3750  8.609658E+00  3.880500E+00
    8.4250  8.275069E+00  3.929100E+00
    8.4750  7.667310E+00  3.974667E+00
    8.5250  8.447926E+00  4.025467E+00
    8.5750  9.319444E+00  4.082167E+00
    8.6250  8.605174E+00  4.135133E+00
    8.6750  8.415260E+00  4.187533E+00
    8.7250  7.758131E+00  4.236400E+00
    8.7750  7.288042E+00  4.282833E+00
    8.8250  7.578133E+00  4.331667E+00
    8.8750  8.326677E+00  4.385933E+00
    8.9250  6.741674E+00  4.430367E+00
    8.9750  6.636759E+00  4.474600E+00
    9.0250  6.395259E+00  4.517700E+00
    9.0750  5.821136E+00  4.557367E+00
    9.1250  5.786547E+00  4.597233E+00
    9.1750  5.407797E+00  4.634900E+00
    9.2250  5.150510E+00  4.671167E+00
    9.2750  4.195989E+00  4.701033E+00
    9.3250  4.202074E+00  4.731267E+00
    9.3750  3.932773E+00  4.759867E+00
    9.4250  3.478458E+00  4.785433E+00
    9.4750  2.993102E+00  4.807667E+00
    9.5250  3.023927E+00  4.830367E+00
    9.5750  3.049552E+00  4.853500E+00
    9.6250  1.987325E+00  4.868733E+00
    9.6750  1.527850E+00  4.880567E+00
    9.7250  1.218263E+00  4.890100E+00
    9.7750  1.070914E+00  4.898567E+00
    9.8250  8.471985E-01  4.905333E+00
    9.8750  9.130032E-01  4.912700E+00
    9.9250  6.993416E-01  4.918400E+00
    9.9750  6.599576E-01  4.923833E+00
   10.0250  8.017067E-01  4.930500E+00
   10.0750  1.023962E+00  4.939100E+00
   10.1250  6.837754E-01  4.944900E+00
   10.1750  6.303772E-01  4.950300E+00
   10.2250  4.855100E-01  4.954500E+00
   10.2750  5.761925E-01  4.959533E+00
   10.3250  7.709112E-01  4.966333E+00
   10.3750  7.859545E-01  4.973333E+00
   10.4250  7.117106E-01  4.979733E+00
   10.4750  4.993272E-01  4.984267E+00
   10.5250  4.291332E-01  4.988200E+00
   10.5750  2.485666E-01  4.990500E+00
   10.6250  3.747018E-01  4.994000E+00
   10.6750  3.712000E-01  4.997500E+00
   10.7250  1.856247E-01  4.999267E+00
   10.7750  7.633831E-02  5.000000E+00
   10.8250  0.000000E+00  5.000000E+00
   10.8750  0.000000E+00  5.000000E+00
   10.9250  0.000000E+00  5.000000E+00
   10.9750  0.000000E+00  5.000000E+00
   11.0250  0.000000E+00  5.000000E+00
   11.0750  0.000000E+00  5.000000E+00
   11.1250  0.000000E+00  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :H       OS      

        r      g(r)         n(r)

    1.7750  0.000000E+00  0.000000E+00
    1.8250  0.000000E+00  0.000000E+00
    1.8750  2.291695E+00  6.666667E-04
    1.9250  6.740017E+00  2.733333E-03
    1.9750  3.005320E+01  1.243333E-02
    2.0250  6.277459E+01  3.373333E-02
    2.0750  1.123676E+02  7.376667E-02
    2.1250  1.642370E+02  1.351333E-01
    2.1750  2.058231E+02  2.157000E-01
    2.2250  2.226348E+02  3.069000E-01
    2.2750  2.223746E+02  4.021333E-01
    2.3250  1.819116E+02  4.835000E-01
    2.3750  1.586209E+02  5.575333E-01
    2.4250  1.381042E+02  6.247333E-01
    2.4750  9.996169E+01  6.754000E-01
    2.5250  7.095745E+01  7.128333E-01
    2.5750  6.239611E+01  7.470667E-01
    2.6250  6.284806E+01  7.829000E-01
    2.6750  5.826870E+01  8.174000E-01
    2.7250  4.345527E+01  8.441000E-01
    2.7750  3.965397E+01  8.693667E-01
    2.8250  3.271010E+01  8.909667E-01
    2.8750  3.114364E+01  9.122667E-01
    2.9250  2.853419E+01  9.324667E-01
    2.9750  2.580798E+01  9.513667E-01
    3.0250  2.848386E+01  9.729333E-01
    3.0750  2.143006E+01  9.897000E-01
    3.1250  2.244113E+01  1.007833E+00
    3.1750  2.173990E+01  1.025967E+00
    3.2250  2.169077E+01  1.044633E+00
    3.2750  1.908042E+01  1.061567E+00
    3.3250  1.945830E+01  1.079367E+00
    3.3750  2.327156E+01  1.101300E+00
    3.4250  2.386773E+01  1.124467E+00
    3.4750  2.545438E+01  1.149900E+00
    3.5250  2.561278E+01  1.176233E+00
    3.5750  2.748606E+01  1.205300E+00
    3.6250  2.618124E+01  1.233767E+00
    3.6750  2.553334E+01  1.262300E+00
    3.7250  3.219791E+01  1.299267E+00
    3.7750  3.301853E+01  1.338200E+00
    3.8250  3.114216E+01  1.375900E+00
    3.8750  3.525341E+01  1.419700E+00
    3.9250  4.312118E+01  1.474667E+00
    3.9750  4.385344E+01  1.532000E+00
    4.0250  4.592876E+01  1.593567E+00
    4.0750  3.692403E+01  1.644300E+00
    4.1250  2.826873E+01  1.684100E+00
    4.1750  3.108560E+01  1.728933E+00
    4.2250  4.134492E+01  1.790000E+00
    4.2750  4.505665E+01  1.858133E+00
    4.3250  4.490391E+01  1.927633E+00
    4.3750  3.333876E+01  1.980433E+00
    4.4250  1.613021E+01  2.006567E+00
    4.4750  6.739216E+00  2.017733E+00
    4.5250  2.085544E+00  2.021267E+00
    4.5750  2.540637E+00  2.025667E+00
    4.6250  4.181003E+00  2.033067E+00
    4.6750  5.124277E+00  2.042333E+00
    4.7250  4.745732E+00  2.051100E+00
    4.7750  6.625760E+00  2.063600E+00
    4.8250  6.731413E+00  2.076567E+00
    4.8750  9.018073E+00  2.094300E+00
    4.9250  1.240679E+01  2.119200E+00
    4.9750  1.264697E+01  2.145100E+00
    5.0250  1.194982E+01  2.170067E+00
    5.0750  1.615771E+01  2.204500E+00
    5.1250  1.628878E+01  2.239900E+00
    5.1750  1.579503E+01  2.274900E+00
    5.2250  1.927181E+01  2.318433E+00
    5.2750  2.080481E+01  2.366333E+00
    5.3250  1.730454E+01  2.406933E+00
    5.3750  1.525501E+01  2.443400E+00
    5.4250  1.643977E+01  2.483433E+00
    5.4750  1.463564E+01  2.519733E+00
    5.5250  1.549372E+01  2.558867E+00
    5.5750  1.460785E+01  2.596433E+00
    5.6250  1.180285E+01  2.627333E+00
    5.6750  1.029486E+01  2.654767E+00
    5.7250  1.139413E+01  2.685667E+00
    5.7750  1.195869E+01  2.718667E+00
    5.8250  1.209859E+01  2.752633E+00
    5.8750  1.178849E+01  2.786300E+00
    5.9250  9.616564E+00  2.814233E+00
    5.9750  8.406846E+00  2.839067E+00
    6.0250  8.334480E+00  2.864100E+00
    6.0750  9.038378E+00  2.891700E+00
    6.1250  8.923631E+00  2.919400E+00
    6.1750  8.166921E+00  2.945167E+00
    6.2250  8.400120E+00  2.972100E+00
    6.2750  1.059949E+01  3.006633E+00
    6.3250  1.002977E+01  3.039833E+00
    6.3750  9.664896E+00  3.072333E+00
    6.4250  9.388188E+00  3.104400E+00
    6.4750  8.945882E+00  3.135433E+00
    6.5250  8.752533E+00  3.166267E+00
    6.5750  8.032835E+00  3.195000E+00
    6.6250  7.085959E+00  3.220733E+00
    6.6750  6.356323E+00  3.244167E+00
    6.7250  7.099486E+00  3.270733E+00
    6.7750  7.056521E+00  3.297533E+00
    6.8250  6.564319E+00  3.322833E+00
    6.8750  5.659472E+00  3.344967E+00
    6.9250  6.191291E+00  3.369533E+00
    6.9750  7.295260E+00  3.398900E+00
    7.0250  8.048920E+00  3.431767E+00
    7.0750  8.289679E+00  3.466100E+00
    7.1250  7.483338E+00  3.497533E+00
    7.1750  8.850590E+00  3.535233E+00
    7.2250  8.296333E+00  3.571067E+00
    7.2750  7.695532E+00  3.604767E+00
    7.3250  7.590832E+00  3.638467E+00
    7.3750  7.717865E+00  3.673200E+00
    7.4250  8.060020E+00  3.709967E+00
    7.4750  7.368550E+00  3.744033E+00
    7.5250  6.893890E+00  3.776333E+00
    7.5750  6.782120E+00  3.808533E+00
    7.6250  6.062922E+00  3.837700E+00
    7.6750  6.332976E+00  3.868567E+00
    7.7250  6.217507E+00  3.899267E+00
    7.7750  6.590968E+00  3.932233E+00
    7.8250  6.164880E+00  3.963467E+00
    7.8750  6.333696E+00  3.995967E+00
    7.9250  7.177700E+00  4.033267E+00
    7.9750  8.893229E+00  4.080067E+00
    8.0250  9.383286E+00  4.130067E+00
    8.0750  9.230374E+00  4.179867E+00
    8.1250  9.532089E+00  4.231933E+00
    8.1750  1.036225E+01  4.289233E+00
    8.2250  1.015328E+01  4.346067E+00
    8.2750  1.058986E+01  4.406067E+00
    8.3250  9.916637E+00  4.462933E+00
    8.3750  9.511403E+00  4.518133E+00
    8.4250  1.028424E+01  4.578533E+00
    8.4750  1.086436E+01  4.643100E+00
    8.5250  9.833741E+00  4.702233E+00
    8.5750  1.059053E+01  4.766667E+00
    8.6250  9.883224E+00  4.827500E+00
    8.6750  9.978400E+00  4.889633E+00
    8.7250  8.848291E+00  4.945367E+00
    8.7750  8.172234E+00  4.997433E+00
    8.8250  8.064375E+00  5.049400E+00
    8.8750  7.140074E+00  5.095933E+00
    8.9250  6.392705E+00  5.138067E+00
    8.9750  5.866555E+00  5.177167E+00
    9.0250  5.752271E+00  5.215933E+00
    9.0750  5.938537E+00  5.256400E+00
    9.1250  5.713974E+00  5.295767E+00
    9.1750  5.259442E+00  5.332400E+00
    9.2250  5.907938E+00  5.374000E+00
    9.2750  6.907459E+00  5.423167E+00
    9.3250  6.407353E+00  5.469267E+00
    9.3750  5.857907E+00  5.511867E+00
    9.4250  6.104309E+00  5.556733E+00
    9.4750  5.510539E+00  5.597667E+00
    9.5250  5.790310E+00  5.641133E+00
    9.5750  5.923338E+00  5.686067E+00
    9.6250  5.240102E+00  5.726233E+00
    9.6750  4.992410E+00  5.764900E+00
    9.7250  4.425787E+00  5.799533E+00
    9.7750  3.811440E+00  5.829667E+00
    9.8250  3.125870E+00  5.854633E+00
    9.8750  2.367198E+00  5.873733E+00
    9.9250  2.098025E+00  5.890833E+00
    9.9750  1.688358E+00  5.904733E+00
   10.0250  1.362901E+00  5.916067E+00
   10.0750  8.334575E-01  5.923067E+00
   10.1250  7.309323E-01  5.929267E+00
   10.1750  1.007825E+00  5.937900E+00
   10.2250  1.229188E+00  5.948533E+00
   10.2750  1.400415E+00  5.960767E+00
   10.3250  8.842805E-01  5.968567E+00
   10.3750  4.416316E-01  5.972500E+00
   10.4250  2.224096E-01  5.974500E+00
   10.4750  4.662835E-01  5.978733E+00
   10.5250  5.673287E-01  5.983933E+00
   10.5750  5.223500E-01  5.988767E+00
   10.6250  3.747018E-01  5.992267E+00
   10.6750  4.242285E-01  5.996267E+00
   10.7250  2.731835E-01  5.998867E+00
   10.7750  1.179774E-01  6.000000E+00
   10.8250  0.000000E+00  6.000000E+00
   10.8750  0.000000E+00  6.000000E+00
   10.9250  0.000000E+00  6.000000E+00
   10.9750  0.000000E+00  6.000000E+00
   11.0250  0.000000E+00  6.000000E+00
   11.0750  0.000000E+00  6.000000E+00
   11.1250  0.000000E+00  6.000000E+00
   11.1750  0.000000E+00  6.000000E+00
   11.2250  0.000000E+00  6.000000E+00
   11.2750  0.000000E+00  6.000000E+00
   11.3250  0.000000E+00  6.000000E+00
   11.3750  0.000000E+00  6.000000E+00
   11.4250  0.000000E+00  6.000000E+00
   11.4750  0.000000E+00  6.000000E+00
   11.5250  0.000000E+00  6.000000E+00
   11.5750  0.000000E+00  6.000000E+00
   11.6250  0.000000E+00  6.000000E+00
   11.6750  0.000000E+00  6.000000E+00
   11.7250  0.000000E+00  6.000000E+00
   11.7750  0.000000E+00  6.000000E+00
   11.8250  0.000000E+00  6.000000E+00
   11.8750  0.000000E+00  6.000000E+00
   11.9250  0.000000E+00  6.000000E+00
   11.9750  0.000000E+00  6.000000E+00
   12.0250  0.000000E+00  6.000000E+00
   12.0750  0.000000E+00  6.000000E+00
   12.1250  0.000000E+00  6.000000E+00
   12.1750  0.000000E+00  6.000000E+00
   12.2250  0.000000E+00  6.000000E+00
   12.2750  0.000000E+00  6.000000E+00
   12.3250  0.000000E+00  6.000000E+00
   12.3750  0.000000E+00  6.000000E+00
   12.4250  0.000000E+00  6.000000E+00
   12.4750  0.000000E+00  6.000000E+00
   12.5250  0.000000E+00  6.000000E+00
   12.5750  0.000000E+00  6.000000E+00
   12.6250  0.000000E+00  6.000000E+00
   12.6750  0.000000E+00  6.000000E+00
   12.7250  0.000000E+00  6.000000E+00
   12.7750  0.000000E+00  6.000000E+00
   12.8250  0.000000E+00  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
   14.0250  0.000000E+00  6.000000E+00
   14.0750  0.000000E+00  6.000000E+00
   14.1250  0.000000E+00  6.000000E+00
   14.1750  0.000000E+00  6.000000E+00
   14.2250  0.000000E+00  6.000000E+00
   14.2750  0.000000E+00  6.000000E+00
   14.3250  0.000000E+00  6.000000E+00
   14.3750  0.000000E+00  6.000000E+00
   14.4250  0.000000E+00  6.000000E+00
   14.4750  0.000000E+00  6.000000E+00
   14.5250  0.000000E+00  6.000000E+00
   14.5750  0.000000E+00  6.000000E+00
   14.6250  0.000000E+00  6.000000E+00
   14.6750  0.000000E+00  6.000000E+00
   14.7250  0.000000E+00  6.000000E+00
   14.7750  0.000000E+00  6.000000E+00
   14.8250  0.000000E+00  6.000000E+00
   14.8750  0.000000E+00  6.000000E+00
   14.9250  0.000000E+00  6.000000E+00
   14.9750  0.000000E+00  6.000000E+00
   15.0250  0.000000E+00  6.000000E+00
   15.0750  0.000000E+00  6.000000E+00
   15.1250  0.000000E+00  6.000000E+00
   15.1750  0.000000E+00  6.000000E+00
   15.2250  0.000000E+00  6.000000E+00
   15.2750  0.000000E+00  6.000000E+00
   15.3250  0.000000E+00  6.000000E+00
   15.3750  0.000000E+00  6.000000E+00
   15.4250  0.000000E+00  6.000000E+00
   15.4750  0.000000E+00  6.000000E+00
   15.5250  0.000000E+00  6.000000E+00
   15.5750  0.000000E+00  6.000000E+00
   15.6250  0.000000E+00  6.000000E+00
   15.6750  0.000000E+00  6.000000E+00
   15.7250  0.000000E+00  6.000000E+00
   15.7750  0.000000E+00  6.000000E+00
   15.8250  0.000000E+00  6.000000E+00
   15.8750  0.000000E+00  6.000000E+00
   15.9250  0.000000E+00  6.000000E+00
   15.9750  0.000000E+00  6.000000E+00

g(r)  :H       Oe      

        r      g(r)         n(r)

    1.5750  0.000000E+00  0.000000E+00
    1.6250  0.000000E+00  0.000000E+00
    1.6750  1.579378E+00  3.666667E-04
    1.7250  1.069482E+01  3.000000E-03
    1.7750  2.032951E+01  8.300000E-03
    1.8250  3.773609E+01  1.870000E-02
    1.8750  5.935491E+01  3.596667E-02
    1.9250  5.207207E+01  5.193333E-02
    1.9750  5.969330E+01  7.120000E-02
    2.0250  4.312683E+01  8.583333E-02
    2.0750  4.172850E+01  1.007000E-01
    2.1250  3.363246E+01  1.132667E-01
    2.1750  2.614303E+01  1.235000E-01
    2.2250  2.620190E+01  1.342333E-01
    2.2750  2.311699E+01  1.441333E-01
    2.3250  2.608318E+01  1.558000E-01
    2.3750  2.956734E+01  1.696000E-01
    2.4250  3.295045E+01  1.856333E-01
    2.4750  3.689375E+01  2.043333E-01
    2.5250  4.189206E+01  2.264333E-01
    2.5750  5.899379E+01  2.588000E-01
    2.6250  7.056522E+01  2.990333E-01
    2.6750  7.178028E+01  3.415333E-01
    2.7250  7.237121E+01  3.860000E-01
    2.7750  8.652726E+01  4.411333E-01
    2.8250  9.646452E+01  5.048333E-01
    2.8750  8.139261E+01  5.605000E-01
    2.9250  7.562030E+01  6.140333E-01
    2.9750  7.155229E+01  6.664333E-01
    3.0250  6.713738E+01  7.172667E-01
    3.0750  7.502651E+01  7.759667E-01
    3.1250  7.986403E+01  8.405000E-01
    3.1750  8.364269E+01  9.102667E-01
    3.2250  8.618210E+01  9.844333E-01
    3.2750  9.476356E+01  1.068533E+00
    3.3250  9.834824E+01  1.158500E+00
    3.3750  9.496071E+01  1.248000E+00
    3.4250  8.932369E+01  1.334700E+00
    3.4750  8.366920E+01  1.418300E+00
    3.5250  7.959415E+01  1.500133E+00
    3.5750  6.959773E+01  1.573733E+00
    3.6250  5.959757E+01  1.638533E+00
    3.6750  4.909798E+01  1.693400E+00
    3.7250  4.038529E+01  1.739767E+00
    3.7750  3.460161E+01  1.780567E+00
    3.8250  3.097695E+01  1.818067E+00
    3.8750  2.814370E+01  1.853033E+00
    3.9250  2.580995E+01  1.885933E+00
    3.9750  2.549618E+01  1.919267E+00
    4.0250  2.476721E+01  1.952467E+00
    4.0750  2.984005E+01  1.993467E+00
    4.1250  3.790472E+01  2.046833E+00
    4.1750  4.229491E+01  2.107833E+00
    4.2250  3.385228E+01  2.157833E+00
    4.2750  2.237402E+01  2.191667E+00
    4.3250  1.856459E+01  2.220400E+00
    4.3750  1.786907E+01  2.248700E+00
    4.4250  1.773500E+01  2.277433E+00
    4.4750  1.711962E+01  2.305800E+00
    4.5250  1.355604E+01  2.328767E+00
    4.5750  1.335759E+01  2.351900E+00
    4.6250  1.414384E+01  2.376933E+00
    4.6750  1.517007E+01  2.404367E+00
    4.7250  1.672735E+01  2.435267E+00
    4.7750  1.719164E+01  2.467700E+00
    4.8250  1.356665E+01  2.493833E+00
    4.8750  1.310333E+01  2.519600E+00
    4.9250  1.365246E+01  2.547000E+00
    4.9750  1.362357E+01  2.574900E+00
    5.0250  1.029056E+01  2.596400E+00
    5.0750  1.198142E+01  2.621933E+00
    5.1250  1.016898E+01  2.644033E+00
    5.1750  1.024420E+01  2.666733E+00
    5.2250  1.223302E+01  2.694367E+00
    5.2750  1.456482E+01  2.727900E+00
    5.3250  1.577015E+01  2.764900E+00
    5.3750  1.411158E+01  2.798633E+00
    5.4250  1.549527E+01  2.836367E+00
    5.4750  1.536138E+01  2.874467E+00
    5.5250  1.552012E+01  2.913667E+00
    5.5750  1.635769E+01  2.955733E+00
    5.6250  1.757059E+01  3.001733E+00
    5.6750  1.688707E+01  3.046733E+00
    5.7250  1.713421E+01  3.093200E+00
    5.7750  1.854201E+01  3.144367E+00
    5.8250  1.985166E+01  3.200100E+00
    5.8750  2.019217E+01  3.257767E+00
    5.9250  2.093152E+01  3.318567E+00
    5.9750  1.893515E+01  3.374500E+00
    6.0250  2.156311E+01  3.439267E+00
    6.0750  2.427700E+01  3.513400E+00
    6.1250  2.513865E+01  3.591433E+00
    6.1750  2.551503E+01  3.671933E+00
    6.2250  2.575136E+01  3.754500E+00
    6.2750  2.470828E+01  3.835000E+00
    6.3250  2.257706E+01  3.909733E+00
    6.3750  2.144120E+01  3.981833E+00
    6.4250  2.090385E+01  4.053233E+00
    6.4750  1.834338E+01  4.116867E+00
    6.5250  1.583972E+01  4.172667E+00
    6.5750  1.693232E+01  4.233233E+00
    6.6250  1.432796E+01  4.285267E+00
    6.6750  1.561503E+01  4.342833E+00
    6.7250  1.516101E+01  4.399567E+00
    6.7750  1.515748E+01  4.457133E+00
    6.8250  1.491026E+01  4.514600E+00
    6.8750  1.599824E+01  4.577167E+00
    6.9250  1.417192E+01  4.633400E+00
    6.9750  1.444147E+01  4.691533E+00
    7.0250  1.366520E+01  4.747333E+00
    7.0750  1.506629E+01  4.809733E+00
    7.1250  1.416517E+01  4.869233E+00
    7.1750  1.402322E+01  4.928967E+00
    7.2250  1.528841E+01  4.995000E+00
    7.2750  1.534539E+01  5.062200E+00
    7.3250  1.527927E+01  5.130033E+00
    7.3750  1.432471E+01  5.194500E+00
    7.4250  1.389860E+01  5.257900E+00
    7.4750  1.361235E+01  5.320833E+00
    7.5250  1.263524E+01  5.380033E+00
    7.5750  1.070676E+01  5.430867E+00
    7.6250  9.174067E+00  5.475000E+00
    7.6750  9.513142E+00  5.521367E+00
    7.7250  9.295882E+00  5.567267E+00
    7.7750  8.556929E+00  5.610067E+00
    7.8250  7.816304E+00  5.649667E+00
    7.8750  7.028778E+00  5.685733E+00
    7.9250  7.601049E+00  5.725233E+00
    7.9750  4.712651E+00  5.750033E+00
    8.0250  4.272523E+00  5.772800E+00
    8.0750  4.213598E+00  5.795533E+00
    8.1250  3.905593E+00  5.816867E+00
    8.1750  4.472828E+00  5.841600E+00
    8.2250  3.763562E+00  5.862667E+00
    8.2750  4.182996E+00  5.886367E+00
    8.3250  4.481669E+00  5.912067E+00
    8.3750  3.825238E+00  5.934267E+00
    8.4250  3.274839E+00  5.953500E+00
    8.4750  2.344503E+00  5.967433E+00
    8.5250  1.651891E+00  5.977367E+00
    8.5750  9.916633E-01  5.983400E+00
    8.6250  6.877640E-01  5.987633E+00
    8.6750  4.817897E-01  5.990633E+00
    8.7250  3.704428E-01  5.992967E+00
    8.7750  3.871609E-01  5.995433E+00
    8.8250  2.379482E-01  5.996967E+00
    8.8750  3.171093E-01  5.999033E+00
    8.9250  5.057520E-02  5.999367E+00
    8.9750  8.002121E-02  5.999900E+00
    9.0250  1.483819E-02  6.000000E+00
    9.0750  0.000000E+00  6.000000E+00
    9.1250  0.000000E+00  6.000000E+00
    9.1750  0.000000E+00  6.000000E+00
    9.2250  0.000000E+00  6.000000E+00
    9.2750  0.000000E+00  6.000000E+00
    9.3250  0.000000E+00  6.000000E+00
    9.3750  0.000000E+00  6.000000E+00
    9.4250  0.000000E+00  6.000000E+00
    9.4750  0.000000E+00  6.000000E+00
    9.5250  0.000000E+00  6.000000E+00
    9.5750  0.000000E+00  6.000000E+00
    9.6250  0.000000E+00  6.000000E+00
    9.6750  0.000000E+00  6.000000E+00
    9.7250  0.000000E+00  6.000000E+00
    9.7750  0.000000E+00  6.000000E+00
    9.8250  0.000000E+00  6.000000E+00
    9.8750  0.000000E+00  6.000000E+00
    9.9250  0.000000E+00  6.000000E+00
    9.9750  0.000000E+00  6.000000E+00
   10.0250  0.000000E+00  6.000000E+00
   10.0750  0.000000E+00  6.000000E+00
   10.1250  0.000000E+00  6.000000E+00
   10.1750  0.000000E+00  6.000000E+00
   10.2250  0.000000E+00  6.000000E+00
   10.2750  0.000000E+00  6.000000E+00
   10.3250  0.000000E+00  6.000000E+00
   10.3750  0.000000E+00  6.000000E+00
   10.4250  0.000000E+00  6.000000E+00
   10.4750  0.000000E+00  6.000000E+00
   10.5250  0.000000E+00  6.000000E+00
   10.5750  0.000000E+00  6.000000E+00
   10.6250  0.000000E+00  6.000000E+00
   10.6750  0.000000E+00  6.000000E+00
   10.7250  0.000000E+00  6.000000E+00
   10.7750  0.000000E+00  6.000000E+00
   10.8250  0.000000E+00  6.000000E+00
   10.8750  0.000000E+00  6.000000E+00
   10.9250  0.000000E+00  6.000000E+00
   10.9750  0.000000E+00  6.000000E+00
   11.0250  0.000000E+00  6.000000E+00
   11.0750  0.000000E+00  6.000000E+00
   11.1250  0.000000E+00  6.000000E+00
   11.1750  0.000000E+00  6.000000E+00
   11.2250  0.000000E+00  6.000000E+00
   11.2750  0.000000E+00  6.000000E+00
   11.3250  0.000000E+00  6.000000E+00
   11.3750  0.000000E+00  6.000000E+00
   11.4250  0.000000E+00  6.000000E+00
   11.4750  0.000000E+00  6.000000E+00
   11.5250  0.000000E+00  6.000000E+00
   11.5750  0.000000E+00  6.000000E+00
   11.6250  0.000000E+00  6.000000E+00
   11.6750  0.000000E+00  6.000000E+00
   11.7250  0.000000E+00  6.000000E+00
   11.7750  0.000000E+00  6.000000E+00
   11.8250  0.000000E+00  6.000000E+00
   11.8750  0.000000E+00  6.000000E+00
   11.9250  0.000000E+00  6.000000E+00
   11.9750  0.000000E+00  6.000000E+00
   12.0250  0.000000E+00  6.000000E+00
   12.0750  0.000000E+00  6.000000E+00
   12.1250  0.000000E+00  6.000000E+00
   12.1750  0.000000E+00  6.000000E+00
   12.2250  0.000000E+00  6.000000E+00
   12.2750  0.000000E+00  6.000000E+00
   12.3250  0.000000E+00  6.000000E+00
   12.3750  0.000000E+00  6.000000E+00
   12.4250  0.000000E+00  6.000000E+00
   12.4750  0.000000E+00  6.000000E+00
   12.5250  0.000000E+00  6.000000E+00
   12.5750  0.000000E+00  6.000000E+00
   12.6250  0.000000E+00  6.000000E+00
   12.6750  0.000000E+00  6.000000E+00
   12.7250  0.000000E+00  6.000000E+00
   12.7750  0.000000E+00  6.000000E+00
   12.8250  0.000000E+00  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
   14.0250  0.000000E+00  6.000000E+00
   14.0750  0.000000E+00  6.000000E+00
   14.1250  0.000000E+00  6.000000E+00
   14.1750  0.000000E+00  6.000000E+00
   14.2250  0.000000E+00  6.000000E+00
   14.2750  0.000000E+00  6.000000E+00
   14.3250  0.000000E+00  6.000000E+00
   14.3750  0.000000E+00  6.000000E+00
   14.4250  0.000000E+00  6.000000E+00
   14.4750  0.000000E+00  6.000000E+00
   14.5250  0.000000E+00  6.000000E+00
   14.5750  0.000000E+00  6.000000E+00
   14.6250  0.000000E+00  6.000000E+00
   14.6750  0.000000E+00  6.000000E+00
   14.7250  0.000000E+00  6.000000E+00
   14.7750  0.000000E+00  6.000000E+00
   14.8250  0.000000E+00  6.000000E+00
   14.8750  0.000000E+00  6.000000E+00
   14.9250  0.000000E+00  6.000000E+00
   14.9750  0.000000E+00  6.000000E+00
   15.0250  0.000000E+00  6.000000E+00
   15.0750  0.000000E+00  6.000000E+00
   15.1250  0.000000E+00  6.000000E+00
   15.1750  0.000000E+00  6.000000E+00
   15.2250  0.000000E+00  6.000000E+00
   15.2750  0.000000E+00  6.000000E+00
   15.3250  0.000000E+00  6.000000E+00
   15.3750  0.000000E+00  6.000000E+00
   15.4250  0.000000E+00  6.000000E+00
   15.4750  0.000000E+00  6.000000E+00
   15.5250  0.000000E+00  6.000000E+00
   15.5750  0.000000E+00  6.000000E+00
   15.6250  0.000000E+00  6.000000E+00
   15.6750  0.000000E+00  6.000000E+00
   15.7250  0.000000E+00  6.000000E+00
   15.7750  0.000000E+00  6.000000E+00
   15.8250  0.000000E+00  6.000000E+00
   15.8750  0.000000E+00  6.000000E+00
   15.9250  0.000000E+00  6.000000E+00
   15.9750  0.000000E+00  6.000000E+00

g(r)  :H       O       

        r      g(r)         n(r)

    1.6250  0.000000E+00  0.000000E+00
    1.6750  0.000000E+00  0.000000E+00
    1.7250  1.083020E+00  2.666667E-04
    1.7750  1.534302E+00  6.666667E-04
    1.8250  4.596062E+00  1.933333E-03
    1.8750  2.154194E+01  8.200000E-03
    1.9250  3.065621E+01  1.760000E-02
    1.9750  4.977884E+01  3.366667E-02
    2.0250  6.807949E+01  5.676667E-02
    2.0750  6.044084E+01  7.830000E-02
    2.1250  5.977121E+01  1.006333E-01
    2.1750  5.245637E+01  1.211667E-01
    2.2250  4.638224E+01  1.401667E-01
    2.2750  4.101904E+01  1.577333E-01
    2.3250  3.487694E+01  1.733333E-01
    2.3750  2.813897E+01  1.864667E-01
    2.4250  3.425203E+01  2.031333E-01
    2.4750  3.959009E+01  2.232000E-01
    2.5250  3.209829E+01  2.401333E-01
    2.5750  2.995256E+01  2.565667E-01
    2.6250  2.806239E+01  2.725667E-01
    2.6750  2.223781E+01  2.857333E-01
    2.7250  2.636612E+01  3.019333E-01
    2.7750  3.149299E+01  3.220000E-01
    2.8250  3.154910E+01  3.428333E-01
    2.8750  3.275200E+01  3.652333E-01
    2.9250  3.239525E+01  3.881667E-01
    2.9750  2.849347E+01  4.090333E-01
    3.0250  2.342104E+01  4.267667E-01
    3.0750  2.040755E+01  4.427333E-01
    3.1250  1.493325E+01  4.548000E-01
    3.1750  1.514600E+01  4.674333E-01
    3.2250  1.743009E+01  4.824333E-01
    3.2750  1.750290E+01  4.979667E-01
    3.3250  2.113449E+01  5.173000E-01
    3.3750  1.694085E+01  5.332667E-01
    3.4250  1.895682E+01  5.516667E-01
    3.4750  1.678054E+01  5.684333E-01
    3.5250  1.202828E+01  5.808000E-01
    3.5750  1.377455E+01  5.953667E-01
    3.6250  9.043869E+00  6.052000E-01
    3.6750  1.032072E+01  6.167333E-01
    3.7250  1.109071E+01  6.294667E-01
    3.7750  9.215789E+00  6.403333E-01
    3.8250  1.040825E+01  6.529333E-01
    3.8750  9.980417E+00  6.653333E-01
    3.9250  1.150595E+01  6.800000E-01
    3.9750  1.137130E+01  6.948667E-01
    4.0250  1.186141E+01  7.107667E-01
    4.0750  1.162064E+01  7.267333E-01
    4.1250  1.112756E+01  7.424000E-01
    4.1750  9.961260E+00  7.567667E-01
    4.2250  1.101328E+01  7.730333E-01
    4.2750  1.002973E+01  7.882000E-01
    4.3250  1.102676E+01  8.052667E-01
    4.3750  1.090245E+01  8.225333E-01
    4.4250  1.067804E+01  8.398333E-01
    4.4750  1.098392E+01  8.580333E-01
    4.5250  1.215912E+01  8.786333E-01
    4.5750  1.064373E+01  8.970667E-01
    4.6250  9.623839E+00  9.141000E-01
    4.6750  1.148354E+01  9.348667E-01
    4.7250  9.437331E+00  9.523000E-01
    4.7750  8.463304E+00  9.682667E-01
    4.8250  8.894464E+00  9.854000E-01
    4.8750  8.543438E+00  1.002200E+00
    4.9250  9.018593E+00  1.020300E+00
    4.9750  9.586954E+00  1.039933E+00
    5.0250  7.865501E+00  1.056367E+00
    5.0750  7.586148E+00  1.072533E+00
    5.1250  7.454187E+00  1.088733E+00
    5.1750  8.724872E+00  1.108067E+00
    5.2250  7.333911E+00  1.124633E+00
    5.2750  5.733267E+00  1.137833E+00
    5.3250  5.270923E+00  1.150200E+00
    5.3750  5.494034E+00  1.163333E+00
    5.4250  5.201591E+00  1.176000E+00
    5.4750  3.870583E+00  1.185600E+00
    5.5250  3.259752E+00  1.193833E+00
    5.5750  3.473740E+00  1.202767E+00
    5.6250  3.119416E+00  1.210933E+00
    5.6750  4.365621E+00  1.222567E+00
    5.7250  6.071953E+00  1.239033E+00
    5.7750  6.535002E+00  1.257067E+00
    5.8250  7.586850E+00  1.278367E+00
    5.8750  7.481606E+00  1.299733E+00
    5.9250  7.573904E+00  1.321733E+00
    5.9750  6.228965E+00  1.340133E+00
    6.0250  7.058228E+00  1.361333E+00
    6.0750  7.695720E+00  1.384833E+00
    6.1250  8.708862E+00  1.411867E+00
    6.1750  8.431052E+00  1.438467E+00
    6.2250  9.231815E+00  1.468067E+00
    6.2750  9.811695E+00  1.500033E+00
    6.3250  9.919004E+00  1.532867E+00
    6.3750  9.466642E+00  1.564700E+00
    6.4250  1.339915E+01  1.610467E+00
    6.4750  1.489379E+01  1.662133E+00
    6.5250  1.477995E+01  1.714200E+00
    6.5750  1.395961E+01  1.764133E+00
    6.6250  1.625548E+01  1.823167E+00
    6.6750  1.606712E+01  1.882400E+00
    6.7250  1.544606E+01  1.940200E+00
    6.7750  1.338457E+01  1.991033E+00
    6.8250  1.389837E+01  2.044600E+00
    6.8750  1.504363E+01  2.103433E+00
    6.9250  1.678453E+01  2.170033E+00
    6.9750  1.728173E+01  2.239600E+00
    7.0250  1.671008E+01  2.307833E+00
    7.0750  1.620109E+01  2.374933E+00
    7.1250  1.456196E+01  2.436100E+00
    7.1750  1.331110E+01  2.492800E+00
    7.2250  1.338218E+01  2.550600E+00
    7.2750  1.318364E+01  2.608333E+00
    7.3250  1.305683E+01  2.666300E+00
    7.3750  1.019914E+01  2.712200E+00
    7.4250  9.463034E+00  2.755367E+00
    7.4750  7.152252E+00  2.788433E+00
    7.5250  6.580855E+00  2.819267E+00
    7.5750  4.928621E+00  2.842667E+00
    7.6250  4.483098E+00  2.864233E+00
    7.6750  3.870912E+00  2.883100E+00
    7.7250  3.989736E+00  2.902800E+00
    7.7750  4.058543E+00  2.923100E+00
    7.8250  3.881834E+00  2.942767E+00
    7.8750  3.839194E+00  2.962467E+00
    7.9250  4.002578E+00  2.983267E+00
    7.9750  3.711846E+00  3.002800E+00
    8.0250  3.828381E+00  3.023200E+00
    8.0750  4.324807E+00  3.046533E+00
    8.1250  4.729430E+00  3.072367E+00
    8.1750  4.490912E+00  3.097200E+00
    8.2250  5.264223E+00  3.126667E+00
    8.2750  4.435976E+00  3.151800E+00
    8.3250  3.650438E+00  3.172733E+00
    8.3750  3.302570E+00  3.191900E+00
    8.4250  3.098894E+00  3.210100E+00
    8.4750  2.669817E+00  3.225967E+00
    8.5250  3.054336E+00  3.244333E+00
    8.5750  3.292761E+00  3.264367E+00
    8.6250  3.742086E+00  3.287400E+00
    8.6750  3.351115E+00  3.308267E+00
    8.7250  3.947862E+00  3.333133E+00
    8.7750  4.452350E+00  3.361500E+00
    8.8250  4.924493E+00  3.393233E+00
    8.8750  4.986800E+00  3.425733E+00
    8.9250  5.836378E+00  3.464200E+00
    8.9750  5.871556E+00  3.503333E+00
    9.0250  5.064768E+00  3.537467E+00
    9.0750  4.593317E+00  3.568767E+00
    9.1250  5.123707E+00  3.604067E+00
    9.1750  5.934220E+00  3.645400E+00
    9.2250  5.008492E+00  3.680667E+00
    9.2750  5.422941E+00  3.719267E+00
    9.3250  5.239852E+00  3.756967E+00
    9.3750  5.642475E+00  3.798000E+00
    9.4250  6.299320E+00  3.844300E+00
    9.4750  6.058003E+00  3.889300E+00
    9.5250  4.995474E+00  3.926800E+00
    9.5750  5.422403E+00  3.967933E+00
    9.6250  5.674966E+00  4.011433E+00
    9.6750  5.788613E+00  4.056267E+00
    9.7250  5.162709E+00  4.096667E+00
    9.7750  4.418572E+00  4.131600E+00
    9.8250  4.594904E+00  4.168300E+00
    9.8750  4.808759E+00  4.207100E+00
    9.9250  4.155152E+00  4.240967E+00
    9.9750  4.287700E+00  4.276267E+00
   10.0250  4.168875E+00  4.310933E+00
   10.0750  3.603712E+00  4.341200E+00
   10.1250  3.784343E+00  4.373300E+00
   10.1750  3.856196E+00  4.406333E+00
   10.2250  3.807015E+00  4.439267E+00
   10.2750  3.380838E+00  4.468800E+00
   10.3250  2.860685E+00  4.494033E+00
   10.3750  2.294239E+00  4.514467E+00
   10.4250  2.279698E+00  4.534967E+00
   10.4750  2.335089E+00  4.556167E+00
   10.5250  2.352959E+00  4.577733E+00
   10.5750  2.435232E+00  4.600267E+00
   10.6250  2.961929E+00  4.627933E+00
   10.6750  2.874148E+00  4.655033E+00
   10.7250  3.061056E+00  4.684167E+00
   10.7750  2.810638E+00  4.711167E+00
   10.8250  3.272921E+00  4.742900E+00
   10.8750  3.052136E+00  4.772767E+00
   10.9250  2.747489E+00  4.799900E+00
   10.9750  2.418152E+00  4.824000E+00
   11.0250  1.995233E+00  4.844067E+00
   11.0750  1.786759E+00  4.862200E+00
   11.1250  1.448486E+00  4.877033E+00
   11.1750  1.183928E+00  4.889267E+00
   11.2250  9.368054E-01  4.899033E+00
   11.2750  1.153514E+00  4.911167E+00
   11.3250  1.155915E+00  4.923433E+00
   11.3750  1.080391E+00  4.935000E+00
   11.4250  9.413300E-01  4.945167E+00
   11.4750  9.362041E-01  4.955367E+00
   11.5250  1.055485E+00  4.966967E+00
   11.5750  8.088440E-01  4.975933E+00
   11.6250  6.916025E-01  4.983667E+00
   11.6750  5.497354E-01  4.989867E+00
   11.7250  2.432243E-01  4.992633E+00
   11.7750  1.423734E-01  4.994267E+00
   11.8250  2.103173E-01  4.996700E+00
   11.8750  6.856438E-02  4.997500E+00
   11.9250  8.498828E-02  4.998500E+00
   11.9750  7.585204E-02  4.999400E+00
   12.0250  5.014838E-02  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :H       K       

        r      g(r)         n(r)

    3.6250  0.000000E+00  0.000000E+00
    3.6750  0.000000E+00  0.000000E+00
    3.7250  4.006593E+00  7.666667E-04
    3.7750  3.392315E+00  1.433333E-03
    3.8250  3.634629E+00  2.166667E-03
    3.8750  3.219489E+00  2.833333E-03
    3.9250  4.863881E+00  3.866667E-03
    3.9750  6.119084E+00  5.200000E-03
    4.0250  3.133202E+00  5.900000E-03
    4.0750  1.310051E+00  6.200000E-03
    4.1250  2.699024E+00  6.833333E-03
    4.1750  2.496093E+00  7.433333E-03
    4.2250  3.114410E+00  8.200000E-03
    4.2750  8.464654E+00  1.033333E-02
    4.3250  1.460185E+01  1.410000E-02
    4.3750  1.528027E+01  1.813333E-02
    4.4250  1.185077E+01  2.133333E-02
    4.4750  1.388077E+01  2.516667E-02
    4.5250  1.097862E+01  2.826667E-02
    4.5750  8.661262E+00  3.076667E-02
    4.6250  8.362005E+00  3.323333E-02
    4.6750  1.647879E+01  3.820000E-02
    4.7250  2.371062E+01  4.550000E-02
    4.7750  3.042549E+01  5.506667E-02
    4.8250  4.111526E+01  6.826667E-02
    4.8750  4.342914E+01  8.250000E-02
    4.9250  4.105702E+01  9.623333E-02
    4.9750  5.078319E+01  1.135667E-01
    5.0250  6.480662E+01  1.361333E-01
    5.0750  6.550678E+01  1.594000E-01
    5.1250  6.386673E+01  1.825333E-01
    5.1750  6.868581E+01  2.079000E-01
    5.2250  8.659033E+01  2.405000E-01
    5.2750  8.652021E+01  2.737000E-01
    5.3250  9.547332E+01  3.110333E-01
    5.3750  9.002407E+01  3.469000E-01
    5.4250  9.584616E+01  3.858000E-01
    5.4750  1.012803E+02  4.276667E-01
    5.5250  1.004848E+02  4.699667E-01
    5.5750  1.112893E+02  5.176667E-01
    5.6250  9.885367E+01  5.608000E-01
    5.6750  8.953902E+01  6.005667E-01
    5.7250  7.573962E+01  6.348000E-01
    5.7750  7.312921E+01  6.684333E-01
    5.8250  7.102432E+01  7.016667E-01
    5.8750  6.379791E+01  7.320333E-01
    5.9250  5.721741E+01  7.597333E-01
    5.9750  6.222194E+01  7.903667E-01
    6.0250  6.012811E+01  8.204667E-01
    6.0750  5.141396E+01  8.466333E-01
    6.1250  3.904491E+01  8.668333E-01
    6.1750  2.852612E+01  8.818333E-01
    6.2250  2.806971E+01  8.968333E-01
    6.2750  2.265182E+01  9.091333E-01
    6.3250  1.365499E+01  9.166667E-01
    6.3750  1.106259E+01  9.228667E-01
    6.4250  1.217927E+01  9.298000E-01
    6.4750  1.112710E+01  9.362333E-01
    6.5250  1.055981E+01  9.424333E-01
    6.5750  1.107077E+01  9.490333E-01
    6.6250  1.068401E+01  9.555000E-01
    6.6750  9.385296E+00  9.612667E-01
    6.7250  5.344657E+00  9.646000E-01
    6.7750  4.581473E+00  9.675000E-01
    6.8250  3.321079E+00  9.696333E-01
    6.8750  6.187917E+00  9.736667E-01
    6.9250  5.242016E+00  9.771333E-01
    6.9750  5.216815E+00  9.806333E-01
    7.0250  5.583632E+00  9.844333E-01
    7.0750  6.325910E+00  9.888000E-01
    7.1250  5.427999E+00  9.926000E-01
    7.1750  3.380597E+00  9.950000E-01
    7.2250  2.222646E+00  9.966000E-01
    7.2750  1.918174E+00  9.980000E-01
    7.3250  9.910879E-01  9.987333E-01
    7.3750  6.221695E-01  9.992000E-01
    7.4250  5.699742E-01  9.996333E-01
    7.4750  4.758555E-01  1.000000E+00
    7.5250  0.000000E+00  1.000000E+00
    7.5750  0.000000E+00  1.000000E+00
    7.6250  0.000000E+00  1.000000E+00
    7.6750  0.000000E+00  1.000000E+00
    7.7250  0.000000E+00  1.000000E+00
    7.7750  0.000000E+00  1.000000E+00
    7.8250  0.000000E+00  1.000000E+00
    7.8750  0.000000E+00  1.000000E+00
    7.9250  0.000000E+00  1.000000E+00
    7.9750  0.000000E+00  1.000000E+00
    8.0250  0.000000E+00  1.000000E+00
    8.0750  0.000000E+00  1.000000E+00
    8.1250  0.000000E+00  1.000000E+00
    8.1750  0.000000E+00  1.000000E+00
    8.2250  0.000000E+00  1.000000E+00
    8.2750  0.000000E+00  1.000000E+00
    8.3250  0.000000E+00  1.000000E+00
    8.3750  0.000000E+00  1.000000E+00
    8.4250  0.000000E+00  1.000000E+00
    8.4750  0.000000E+00  1.000000E+00
    8.5250  0.000000E+00  1.000000E+00
    8.5750  0.000000E+00  1.000000E+00
    8.6250  0.000000E+00  1.000000E+00
    8.6750  0.000000E+00  1.000000E+00
    8.7250  0.000000E+00  1.000000E+00
    8.7750  0.000000E+00  1.000000E+00
    8.8250  0.000000E+00  1.000000E+00
    8.8750  0.000000E+00  1.000000E+00
    8.9250  0.000000E+00  1.000000E+00
    8.9750  0.000000E+00  1.000000E+00
    9.0250  0.000000E+00  1.000000E+00
    9.0750  0.000000E+00  1.000000E+00
    9.1250  0.000000E+00  1.000000E+00
    9.1750  0.000000E+00  1.000000E+00
    9.2250  0.000000E+00  1.000000E+00
    9.2750  0.000000E+00  1.000000E+00
    9.3250  0.000000E+00  1.000000E+00
    9.3750  0.000000E+00  1.000000E+00
    9.4250  0.000000E+00  1.000000E+00
    9.4750  0.000000E+00  1.000000E+00
    9.5250  0.000000E+00  1.000000E+00
    9.5750  0.000000E+00  1.000000E+00
    9.6250  0.000000E+00  1.000000E+00
    9.6750  0.000000E+00  1.000000E+00
    9.7250  0.000000E+00  1.000000E+00
    9.7750  0.000000E+00  1.000000E+00
    9.8250  0.000000E+00  1.000000E+00
    9.8750  0.000000E+00  1.000000E+00
    9.9250  0.000000E+00  1.000000E+00
    9.9750  0.000000E+00  1.000000E+00
   10.0250  0.000000E+00  1.000000E+00
   10.0750  0.000000E+00  1.000000E+00
   10.1250  0.000000E+00  1.000000E+00
   10.1750  0.000000E+00  1.000000E+00
   10.2250  0.000000E+00  1.000000E+00
   10.2750  0.000000E+00  1.000000E+00
   10.3250  0.000000E+00  1.000000E+00
   10.3750  0.000000E+00  1.000000E+00
   10.4250  0.000000E+00  1.000000E+00
   10.4750  0.000000E+00  1.000000E+00
   10.5250  0.000000E+00  1.000000E+00
   10.5750  0.000000E+00  1.000000E+00
   10.6250  0.000000E+00  1.000000E+00
   10.6750  0.000000E+00  1.000000E+00
   10.7250  0.000000E+00  1.000000E+00
   10.7750  0.000000E+00  1.000000E+00
   10.8250  0.000000E+00  1.000000E+00
   10.8750  0.000000E+00  1.000000E+00
   10.9250  0.000000E+00  1.000000E+00
   10.9750  0.000000E+00  1.000000E+00
   11.0250  0.000000E+00  1.000000E+00
   11.0750  0.000000E+00  1.000000E+00
   11.1250  0.000000E+00  1.000000E+00
   11.1750  0.000000E+00  1.000000E+00
   11.2250  0.000000E+00  1.000000E+00
   11.2750  0.000000E+00  1.000000E+00
   11.3250  0.000000E+00  1.000000E+00
   11.3750  0.000000E+00  1.000000E+00
   11.4250  0.000000E+00  1.000000E+00
   11.4750  0.000000E+00  1.000000E+00
   11.5250  0.000000E+00  1.000000E+00
   11.5750  0.000000E+00  1.000000E+00
   11.6250  0.000000E+00  1.000000E+00
   11.6750  0.000000E+00  1.000000E+00
   11.7250  0.000000E+00  1.000000E+00
   11.7750  0.000000E+00  1.000000E+00
   11.8250  0.000000E+00  1.000000E+00
   11.8750  0.000000E+00  1.000000E+00
   11.9250  0.000000E+00  1.000000E+00
   11.9750  0.000000E+00  1.000000E+00
   12.0250  0.000000E+00  1.000000E+00
   12.0750  0.000000E+00  1.000000E+00
   12.1250  0.000000E+00  1.000000E+00
   12.1750  0.000000E+00  1.000000E+00
   12.2250  0.000000E+00  1.000000E+00
   12.2750  0.000000E+00  1.000000E+00
   12.3250  0.000000E+00  1.000000E+00
   12.3750  0.000000E+00  1.000000E+00
   12.4250  0.000000E+00  1.000000E+00
   12.4750  0.000000E+00  1.000000E+00
   12.5250  0.000000E+00  1.000000E+00
   12.5750  0.000000E+00  1.000000E+00
   12.6250  0.000000E+00  1.000000E+00
   12.6750  0.000000E+00  1.000000E+00
   12.7250  0.000000E+00  1.000000E+00
   12.7750  0.000000E+00  1.000000E+00
   12.8250  0.000000E+00  1.000000E+00
   12.8750  0.000000E+00  1.000000E+00
   12.9250  0.000000E+00  1.000000E+00
   12.9750  0.000000E+00  1.000000E+00
   13.0250  0.000000E+00  1.000000E+00
   13.0750  0.000000E+00  1.000000E+00
   13.1250  0.000000E+00  1.000000E+00
   13.1750  0.000000E+00  1.000000E+00
   13.2250  0.000000E+00  1.000000E+00
   13.2750  0.000000E+00  1.000000E+00
   13.3250  0.000000E+00  1.000000E+00
   13.3750  0.000000E+00  1.000000E+00
   13.4250  0.000000E+00  1.000000E+00
   13.4750  0.000000E+00  1.000000E+00
   13.5250  0.000000E+00  1.000000E+00
   13.5750  0.000000E+00  1.000000E+00
   13.6250  0.000000E+00  1.000000E+00
   13.6750  0.000000E+00  1.000000E+00
   13.7250  0.000000E+00  1.000000E+00
   13.7750  0.000000E+00  1.000000E+00
   13.8250  0.000000E+00  1.000000E+00
   13.8750  0.000000E+00  1.000000E+00
   13.9250  0.000000E+00  1.000000E+00
   13.9750  0.000000E+00  1.000000E+00
   14.0250  0.000000E+00  1.000000E+00
   14.0750  0.000000E+00  1.000000E+00
   14.1250  0.000000E+00  1.000000E+00
   14.1750  0.000000E+00  1.000000E+00
   14.2250  0.000000E+00  1.000000E+00
   14.2750  0.000000E+00  1.000000E+00
   14.3250  0.000000E+00  1.000000E+00
   14.3750  0.000000E+00  1.000000E+00
   14.4250  0.000000E+00  1.000000E+00
   14.4750  0.000000E+00  1.000000E+00
   14.5250  0.000000E+00  1.000000E+00
   14.5750  0.000000E+00  1.000000E+00
   14.6250  0.000000E+00  1.000000E+00
   14.6750  0.000000E+00  1.000000E+00
   14.7250  0.000000E+00  1.000000E+00
   14.7750  0.000000E+00  1.000000E+00
   14.8250  0.000000E+00  1.000000E+00
   14.8750  0.000000E+00  1.000000E+00
   14.9250  0.000000E+00  1.000000E+00
   14.9750  0.000000E+00  1.000000E+00
   15.0250  0.000000E+00  1.000000E+00
   15.0750  0.000000E+00  1.000000E+00
   15.1250  0.000000E+00  1.000000E+00
   15.1750  0.000000E+00  1.000000E+00
   15.2250  0.000000E+00  1.000000E+00
   15.2750  0.000000E+00  1.000000E+00
   15.3250  0.000000E+00  1.000000E+00
   15.3750  0.000000E+00  1.000000E+00
   15.4250  0.000000E+00  1.000000E+00
   15.4750  0.000000E+00  1.000000E+00
   15.5250  0.000000E+00  1.000000E+00
   15.5750  0.000000E+00  1.000000E+00
   15.6250  0.000000E+00  1.000000E+00
   15.6750  0.000000E+00  1.000000E+00
   15.7250  0.000000E+00  1.000000E+00
   15.7750  0.000000E+00  1.000000E+00
   15.8250  0.000000E+00  1.000000E+00
   15.8750  0.000000E+00  1.000000E+00
   15.9250  0.000000E+00  1.000000E+00
   15.9750  0.000000E+00  1.000000E+00

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  3.984948E-03  2.000000E-04
    1.7750  3.763620E-03  4.000000E-04
    1.8250  1.305418E-02  1.133333E-03
    1.8750  4.328550E-02  3.700000E-03
    1.9250  8.479909E-02  9.000000E-03
    1.9750  1.008267E-01  1.563333E-02
    2.0250  1.551900E-01  2.636667E-02
    2.0750  1.395392E-01  3.650000E-02
    2.1250  1.514322E-01  4.803333E-02
    2.1750  1.445501E-01  5.956667E-02
    2.2250  1.213599E-01  6.970000E-02
    2.2750  9.660958E-02  7.813333E-02
    2.3250  8.299333E-02  8.570000E-02
    2.3750  5.956424E-02  9.136667E-02
    2.4250  6.956831E-02  9.826667E-02
    2.4750  8.711211E-02  1.072667E-01
    2.5250  8.276644E-02  1.161667E-01
    2.5750  6.855509E-02  1.238333E-01
    2.6250  7.170480E-02  1.321667E-01
    2.6750  6.628740E-02  1.401667E-01
    2.7250  4.657714E-02  1.460000E-01
    2.7750  4.157739E-02  1.514000E-01
    2.8250  5.349159E-02  1.586000E-01
    2.8750  4.184382E-02  1.644333E-01
    2.9250  5.336170E-02  1.721333E-01
    2.9750  4.153448E-02  1.783333E-01
    3.0250  4.038880E-02  1.845667E-01
    3.0750  4.744670E-02  1.921333E-01
    3.1250  6.030967E-02  2.020667E-01
    3.1750  5.646457E-02  2.116667E-01
    3.2250  4.921660E-02  2.203000E-01
    3.2750  5.472747E-02  2.302000E-01
    3.3250  8.634469E-02  2.463000E-01
    3.3750  8.727552E-02  2.630667E-01
    3.4250  8.255572E-02  2.794000E-01
    3.4750  1.009829E-01  2.999667E-01
    3.5250  9.479833E-02  3.198333E-01
    3.5750  8.195900E-02  3.375000E-01
    3.6250  9.926611E-02  3.595000E-01
    3.6750  1.072661E-01  3.839333E-01
    3.7250  1.049756E-01  4.085000E-01
    3.7750  1.102572E-01  4.350000E-01
    3.8250  9.996377E-02  4.596667E-01
    3.8750  1.246466E-01  4.912333E-01
    3.9250  1.348334E-01  5.262667E-01
    3.9750  1.427203E-01  5.643000E-01
    4.0250  1.504200E-01  6.054000E-01
    4.0750  1.869801E-01  6.577667E-01
    4.1250  1.617998E-01  7.042000E-01
    4.1750  1.734815E-01  7.552000E-01
    4.2250  1.703963E-01  8.065000E-01
    4.2750  1.578904E-01  8.551667E-01
    4.3250  1.730680E-01  9.097667E-01
    4.3750  1.685153E-01  9.641667E-01
    4.4250  1.752260E-01  1.022033E+00
    4.4750  1.924527E-01  1.087033E+00
    4.5250  1.990339E-01  1.155767E+00
    4.5750  1.979177E-01  1.225633E+00
    4.6250  2.126951E-01  1.302367E+00
    4.6750  1.952384E-01  1.374333E+00
    4.7250  1.998924E-01  1.449600E+00
    4.7750  2.032694E-01  1.527767E+00
    4.8250  2.175007E-01  1.613167E+00
    4.8750  2.044131E-01  1.695100E+00
    4.9250  2.344248E-01  1.791000E+00
    4.9750  2.070583E-01  1.877433E+00
    5.0250  2.244830E-01  1.973033E+00
    5.0750  2.367334E-01  2.075867E+00
    5.1250  2.530554E-01  2.187967E+00
    5.1750  2.573403E-01  2.304200E+00
    5.2250  2.805277E-01  2.433367E+00
    5.2750  2.756611E-01  2.562733E+00
    5.3250  2.766423E-01  2.695033E+00
    5.3750  3.068875E-01  2.844567E+00
    5.4250  3.169709E-01  3.001900E+00
    5.4750  3.480650E-01  3.177867E+00
    5.5250  3.745552E-01  3.370700E+00
    5.5750  4.045582E-01  3.582767E+00
    5.6250  4.288176E-01  3.811600E+00
    5.6750  4.376801E-01  4.049333E+00
    5.7250  4.207217E-01  4.281900E+00
    5.7750  4.537067E-01  4.537100E+00
    5.8250  4.366315E-01  4.786967E+00
    5.8750  4.000851E-01  5.019867E+00
    5.9250  4.201594E-01  5.268633E+00
    5.9750  4.205199E-01  5.521833E+00
    6.0250  4.416089E-01  5.792200E+00
    6.0750  4.382789E-01  6.065000E+00
    6.1250  4.328911E-01  6.338900E+00
    6.1750  4.435322E-01  6.624133E+00
    6.2250  4.450555E-01  6.915000E+00
    6.2750  4.554085E-01  7.217433E+00
    6.3250  4.375657E-01  7.512667E+00
    6.3750  4.475067E-01  7.819400E+00
    6.4250  4.556981E-01  8.136667E+00
    6.4750  4.619341E-01  8.463300E+00
    6.5250  4.661157E-01  8.798000E+00
    6.5750  4.772950E-01  9.146000E+00
    6.6250  4.619672E-01  9.487967E+00
    6.6750  4.733480E-01  9.843667E+00
    6.7250  4.701375E-01  1.020227E+01
    6.7750  4.724384E-01  1.056800E+01
    6.8250  4.993159E-01  1.096027E+01
    6.8750  4.797441E-01  1.134270E+01
    6.9250  4.776634E-01  1.172903E+01
    6.9750  4.816459E-01  1.212423E+01
    7.0250  4.850265E-01  1.252793E+01
    7.0750  4.970688E-01  1.294757E+01
    7.1250  5.066241E-01  1.338133E+01
    7.1750  5.163265E-01  1.382963E+01
    7.2250  5.254476E-01  1.429223E+01
    7.2750  5.271375E-01  1.476277E+01
    7.3250  5.273327E-01  1.523997E+01
    7.3750  5.176994E-01  1.571487E+01
    7.4250  5.369567E-01  1.621413E+01
    7.4750  5.334053E-01  1.671680E+01
    7.5250  5.293421E-01  1.722233E+01
    7.5750  5.328481E-01  1.773800E+01
    7.6250  5.503244E-01  1.827763E+01
    7.6750  5.485458E-01  1.882260E+01
    7.7250  5.439518E-01  1.937007E+01
    7.7750  5.633955E-01  1.994447E+01
    7.8250  5.703242E-01  2.053343E+01
    7.8750  5.552650E-01  2.111420E+01
    7.9250  5.767284E-01  2.172510E+01
    7.9750  5.983263E-01  2.236690E+01
    8.0250  5.821166E-01  2.299917E+01
    8.0750  5.892367E-01  2.364717E+01
    8.1250  5.764383E-01  2.428897E+01
    8.1750  5.938659E-01  2.495833E+01
    8.2250  6.063878E-01  2.565020E+01
    8.2750  6.083471E-01  2.635277E+01
    8.3250  5.798161E-01  2.703050E+01
    8.3750  5.904403E-01  2.772897E+01
    8.4250  5.982940E-01  2.844520E+01
    8.4750  6.172313E-01  2.919290E+01
    8.5250  6.377512E-01  2.997460E+01
    8.5750  6.608700E-01  3.079417E+01
    8.6250  6.915411E-01  3.166180E+01
    8.6750  6.971441E-01  3.254663E+01
    8.7250  6.853084E-01  3.342650E+01
    8.7750  6.759551E-01  3.430433E+01
    8.8250  6.725553E-01  3.518773E+01
    8.8750  7.195997E-01  3.614367E+01
    8.9250  7.136934E-01  3.710247E+01
    8.9750  7.046349E-01  3.805973E+01
    9.0250  7.066035E-01  3.903040E+01
    9.0750  7.076942E-01  4.001337E+01
    9.1250  7.188778E-01  4.102290E+01
    9.1750  7.132005E-01  4.203547E+01
    9.2250  7.054903E-01  4.304803E+01
    9.2750  7.229240E-01  4.409690E+01
    9.3250  7.207381E-01  4.515390E+01
    9.3750  7.264956E-01  4.623080E+01
    9.4250  7.191639E-01  4.730823E+01
    9.4750  7.188368E-01  4.839663E+01
    9.5250  7.104820E-01  4.948377E+01
    9.5750  7.294462E-01  5.061167E+01
    9.6250  7.189644E-01  5.173500E+01
    9.6750  7.165566E-01  5.286623E+01
    9.7250  7.286632E-01  5.402850E+01
    9.7750  7.504551E-01  5.523787E+01
    9.8250  7.683476E-01  5.648877E+01
    9.8750  7.678425E-01  5.775160E+01
    9.9250  7.815338E-01  5.905000E+01
    9.9750  7.752878E-01  6.035103E+01
   10.0250  7.751252E-01  6.166487E+01
   10.0750  7.762127E-01  6.299370E+01
   10.1250  7.853768E-01  6.435160E+01
   10.1750  8.039070E-01  6.575530E+01
   10.2250  8.013383E-01  6.716830E+01
   10.2750  8.082539E-01  6.860747E+01
   10.3250  8.093622E-01  7.006267E+01
   10.3750  8.053991E-01  7.152480E+01
   10.4250  8.189873E-01  7.302597E+01
   10.4750  8.259576E-01  7.455447E+01
   10.5250  8.113132E-01  7.607023E+01
   10.5750  8.099334E-01  7.759783E+01
   10.6250  8.146887E-01  7.914897E+01
   10.6750  7.976918E-01  8.068207E+01
   10.7250  7.861993E-01  8.220727E+01
   10.7750  7.922830E-01  8.375863E+01
   10.8250  7.896360E-01  8.531920E+01
   10.8750  8.038830E-01  8.692263E+01
   10.9250  8.216618E-01  8.857663E+01
   10.9750  8.290255E-01  9.026077E+01
   11.0250  8.034419E-01  9.190783E+01
   11.0750  8.025847E-01  9.356810E+01
   11.1250  8.059901E-01  9.525050E+01
   11.1750  7.926373E-01  9.691993E+01
   11.2250  8.220612E-01  9.866687E+01
   11.2750  8.286232E-01  1.004435E+02
   11.3250  8.408162E-01  1.022622E+02
   11.3750  8.428500E-01  1.041015E+02
   11.4250  8.426508E-01  1.059566E+02
   11.4750  8.320663E-01  1.078044E+02
   11.5250  8.454262E-01  1.096983E+02
   11.5750  8.323260E-01  1.115791E+02
   11.6250  8.352289E-01  1.134828E+02
   11.6750  8.504491E-01  1.154378E+02
   11.7250  8.373170E-01  1.173792E+02
   11.7750  8.479254E-01  1.193620E+02
   11.8250  8.701129E-01  1.214140E+02
   11.8750  8.588347E-01  1.234566E+02
   11.9250  8.576102E-01  1.255135E+02
   11.9750  8.591603E-01  1.275914E+02
   12.0250  8.726692E-01  1.297196E+02
   12.0750  9.005515E-01  1.319341E+02
   12.1250  8.979658E-01  1.341606E+02
   12.1750  9.096589E-01  1.364348E+02
   12.2250  9.264077E-01  1.387698E+02
   12.2750  9.208042E-01  1.411098E+02
   12.3250  9.254224E-01  1.434807E+02
   12.3750  9.264902E-01  1.458736E+02
   12.4250  9.253216E-01  1.482829E+02
   12.4750  9.617843E-01  1.508073E+02
   12.5250  9.543727E-01  1.533324E+02
   12.5750  9.766452E-01  1.559370E+02
   12.6250  9.789438E-01  1.585686E+02
   12.6750  9.834148E-01  1.612332E+02
   12.7250  9.873705E-01  1.639297E+02
   12.7750  9.853243E-01  1.666418E+02
   12.8250  9.864763E-01  1.693783E+02
   12.8750  9.696963E-01  1.720893E+02
   12.9250  9.922233E-01  1.748849E+02
   12.9750  9.960021E-01  1.777128E+02
   13.0250  9.796790E-01  1.805159E+02
   13.0750  9.858079E-01  1.833583E+02
   13.1250  9.907711E-01  1.862368E+02
   13.1750  9.962342E-01  1.891533E+02
   13.2250  1.008954E+00  1.921295E+02
   13.2750  1.004374E+00  1.951146E+02
   13.3250  1.022252E+00  1.981758E+02
   13.3750  1.029428E+00  2.012817E+02
   13.4250  1.009799E+00  2.043512E+02
   13.4750  1.010102E+00  2.074445E+02
   13.5250  1.009271E+00  2.105582E+02
   13.5750  1.014280E+00  2.137106E+02
   13.6250  1.004486E+00  2.168555E+02
   13.6750  1.017678E+00  2.200652E+02
   13.7250  1.004297E+00  2.232559E+02
   13.7750  1.013258E+00  2.264986E+02
   13.8250  1.022859E+00  2.297958E+02
   13.8750  1.008612E+00  2.330706E+02
   13.9250  9.964584E-01  2.363294E+02
   13.9750  9.925893E-01  2.395988E+02
   14.0250  1.010041E+00  2.429496E+02
   14.0750  1.021235E+00  2.463617E+02
   14.1250  1.020516E+00  2.497956E+02
   14.1750  1.023156E+00  2.532629E+02
   14.2250  1.024620E+00  2.567597E+02
   14.2750  1.039588E+00  2.603325E+02
   14.3250  1.047658E+00  2.639583E+02
   14.3750  1.059540E+00  2.676509E+02
   14.4250  1.048712E+00  2.713313E+02
   14.4750  1.054403E+00  2.750573E+02
   14.5250  1.059025E+00  2.788255E+02
   14.5750  1.040309E+00  2.825527E+02
   14.6250  1.040647E+00  2.863067E+02
   14.6750  1.038689E+00  2.900793E+02
   14.7250  1.051873E+00  2.939258E+02
   14.7750  1.070026E+00  2.978654E+02
   14.8250  1.062946E+00  3.018054E+02
   14.8750  1.063637E+00  3.057747E+02
   14.9250  1.037704E+00  3.096732E+02
   14.9750  1.052026E+00  3.136521E+02
   15.0250  1.045421E+00  3.176324E+02
   15.0750  1.051056E+00  3.216609E+02
   15.1250  1.054616E+00  3.257298E+02
   15.1750  1.054449E+00  3.298251E+02
   15.2250  1.042444E+00  3.339005E+02
   15.2750  1.059086E+00  3.380681E+02
   15.3250  1.078393E+00  3.423396E+02
   15.3750  1.091406E+00  3.466909E+02
   15.4250  1.084358E+00  3.510422E+02
   15.4750  1.077965E+00  3.553960E+02
   15.5250  1.079512E+00  3.597842E+02
   15.5750  1.084536E+00  3.642213E+02
   15.6250  1.069737E+00  3.686260E+02
   15.6750  1.056344E+00  3.730034E+02
   15.7250  1.063968E+00  3.774406E+02
   15.7750  1.066582E+00  3.819171E+02
   15.8250  1.059348E+00  3.863914E+02
   15.8750  1.068323E+00  3.909321E+02
   15.9250  1.074336E+00  3.955273E+02
   15.9750  1.074336E+00  4.001513E+02

g(r)  :H       HW      

        r      g(r)         n(r)

    1.3750  0.000000E+00  0.000000E+00
    1.4250  0.000000E+00  0.000000E+00
    1.4750  3.633409E-03  2.666667E-04
    1.5250  1.699540E-03  4.000000E-04
    1.5750  1.991693E-03  5.666667E-04
    1.6250  1.122613E-03  6.666667E-04
    1.6750  5.282985E-03  1.166667E-03
    1.7250  1.693603E-02  2.866667E-03
    1.7750  1.819083E-02  4.800000E-03
    1.8250  2.017465E-02  7.066667E-03
    1.8750  1.967523E-02  9.400000E-03
    1.9250  3.039967E-02  1.320000E-02
    1.9750  5.193336E-02  2.003333E-02
    2.0250  4.458098E-02  2.620000E-02
    2.0750  4.199947E-02  3.230000E-02
    2.1250  5.208216E-02  4.023333E-02
    2.1750  5.827959E-02  4.953333E-02
    2.2250  5.109891E-02  5.806667E-02
    2.2750  4.658644E-02  6.620000E-02
    2.3250  5.392738E-02  7.603333E-02
    2.3750  7.287860E-02  8.990000E-02
    2.4250  7.813832E-02  1.054000E-01
    2.4750  8.388574E-02  1.227333E-01
    2.5250  8.757123E-02  1.415667E-01
    2.5750  7.928545E-02  1.593000E-01
    2.6250  8.131324E-02  1.782000E-01
    2.6750  8.313545E-02  1.982667E-01
    2.7250  7.798344E-02  2.178000E-01
    2.7750  9.932377E-02  2.436000E-01
    2.8250  9.410557E-02  2.689333E-01
    2.8750  1.108264E-01  2.998333E-01
    2.9250  1.047599E-01  3.300667E-01
    2.9750  1.155596E-01  3.645667E-01
    3.0250  1.146869E-01  3.999667E-01
    3.0750  1.225881E-01  4.390667E-01
    3.1250  1.339765E-01  4.832000E-01
    3.1750  1.201833E-01  5.240667E-01
    3.2250  1.193360E-01  5.659333E-01
    3.2750  1.135088E-01  6.070000E-01
    3.3250  1.108358E-01  6.483333E-01
    3.3750  1.032384E-01  6.880000E-01
    3.4250  1.128823E-01  7.326667E-01
    3.4750  1.245511E-01  7.834000E-01
    3.5250  1.147601E-01  8.315000E-01
    3.5750  1.207735E-01  8.835667E-01
    3.6250  1.166377E-01  9.352667E-01
    3.6750  1.265096E-01  9.929000E-01
    3.7250  1.247030E-01  1.051267E+00
    3.7750  1.310604E-01  1.114267E+00
    3.8250  1.294126E-01  1.178133E+00
    3.8750  1.318859E-01  1.244933E+00
    3.9250  1.387463E-01  1.317033E+00
    3.9750  1.400310E-01  1.391667E+00
    4.0250  1.356586E-01  1.465800E+00
    4.0750  1.515717E-01  1.550700E+00
    4.1250  1.461192E-01  1.634567E+00
    4.1750  1.414498E-01  1.717733E+00
    4.2250  1.530688E-01  1.809900E+00
    4.2750  1.665960E-01  1.912600E+00
    4.3250  1.744944E-01  2.022700E+00
    4.3750  1.826615E-01  2.140633E+00
    4.4250  1.821906E-01  2.260967E+00
    4.4750  2.025194E-01  2.397767E+00
    4.5250  2.076729E-01  2.541200E+00
    4.5750  2.197775E-01  2.696367E+00
    4.6250  2.273399E-01  2.860400E+00
    4.6750  2.438897E-01  3.040200E+00
    4.7250  2.677478E-01  3.241833E+00
    4.7750  2.743054E-01  3.452800E+00
    4.8250  2.706448E-01  3.665333E+00
    4.8750  2.728974E-01  3.884100E+00
    4.9250  2.794846E-01  4.112767E+00
    4.9750  2.659098E-01  4.334767E+00
    5.0250  2.664366E-01  4.561700E+00
    5.0750  2.541143E-01  4.782467E+00
    5.1250  2.436872E-01  4.998367E+00
    5.1750  2.554215E-01  5.229100E+00
    5.2250  2.566738E-01  5.465467E+00
    5.2750  2.621657E-01  5.711533E+00
    5.3250  2.700905E-01  5.969867E+00
    5.3750  2.708012E-01  6.233767E+00
    5.4250  2.734546E-01  6.505233E+00
    5.4750  2.733289E-01  6.781600E+00
    5.5250  2.831663E-01  7.073167E+00
    5.5750  2.817981E-01  7.368600E+00
    5.6250  3.014216E-01  7.690300E+00
    5.6750  3.162625E-01  8.033867E+00
    5.7250  3.229433E-01  8.390900E+00
    5.7750  3.292870E-01  8.761333E+00
    5.8250  3.443074E-01  9.155400E+00
    5.8750  3.593722E-01  9.573800E+00
    5.9250  3.752328E-01  1.001813E+01
    5.9750  3.806879E-01  1.047657E+01
    6.0250  4.079070E-01  1.097603E+01
    6.0750  4.236857E-01  1.150347E+01
    6.1250  4.312053E-01  1.204913E+01
    6.1750  4.415626E-01  1.261707E+01
    6.2250  4.313610E-01  1.318090E+01
    6.2750  4.362595E-01  1.376033E+01
    6.3250  4.490767E-01  1.436633E+01
    6.3750  4.608075E-01  1.499803E+01
    6.4250  4.550039E-01  1.563160E+01
    6.4750  4.586578E-01  1.628023E+01
    6.5250  4.582938E-01  1.693840E+01
    6.5750  4.656598E-01  1.761743E+01
    6.6250  4.627327E-01  1.830250E+01
    6.6750  4.743904E-01  1.901547E+01
    6.7250  4.647623E-01  1.972447E+01
    6.7750  4.736440E-01  2.045780E+01
    6.8250  4.705696E-01  2.119717E+01
    6.8750  4.815631E-01  2.196493E+01
    6.9250  4.768803E-01  2.273633E+01
    6.9750  4.681788E-01  2.350463E+01
    7.0250  4.804410E-01  2.430440E+01
    7.0750  5.045511E-01  2.515630E+01
    7.1250  4.911681E-01  2.599737E+01
    7.1750  4.937139E-01  2.685470E+01
    7.2250  4.931135E-01  2.772297E+01
    7.2750  5.081298E-01  2.863010E+01
    7.3250  5.140536E-01  2.956047E+01
    7.3750  4.979137E-01  3.047397E+01
    7.4250  5.040825E-01  3.141137E+01
    7.4750  5.160024E-01  3.238390E+01
    7.5250  5.211922E-01  3.337940E+01
    7.5750  5.167283E-01  3.437953E+01
    7.6250  5.144780E-01  3.538850E+01
    7.6750  5.223582E-01  3.642640E+01
    7.7250  5.311346E-01  3.749553E+01
    7.7750  5.478164E-01  3.861257E+01
    7.8250  5.543787E-01  3.975757E+01
    7.8750  5.679491E-01  4.094563E+01
    7.9250  5.752022E-01  4.216420E+01
    7.9750  5.820273E-01  4.341283E+01
    8.0250  5.921521E-01  4.469917E+01
    8.0750  6.009062E-01  4.602083E+01
    8.1250  6.074547E-01  4.737350E+01
    8.1750  6.170664E-01  4.876453E+01
    8.2250  6.121140E-01  5.016133E+01
    8.2750  6.103964E-01  5.157120E+01
    8.3250  6.240324E-01  5.303003E+01
    8.3750  6.350882E-01  5.453260E+01
    8.4250  6.443627E-01  5.607537E+01
    8.4750  6.504029E-01  5.765113E+01
    8.5250  6.499482E-01  5.924443E+01
    8.5750  6.517984E-01  6.086107E+01
    8.6250  6.573214E-01  6.251047E+01
    8.6750  6.569096E-01  6.417800E+01
    8.7250  6.670567E-01  6.589087E+01
    8.7750  6.647641E-01  6.761747E+01
    8.8250  6.727710E-01  6.938483E+01
    8.8750  6.783478E-01  7.118710E+01
    8.9250  6.795768E-01  7.301303E+01
    8.9750  6.824785E-01  7.486737E+01
    9.0250  6.849347E-01  7.674917E+01
    9.0750  6.875474E-01  7.865913E+01
    9.1250  6.815762E-01  8.057343E+01
    9.1750  6.872100E-01  8.252477E+01
    9.2250  7.107042E-01  8.456487E+01
    9.2750  7.088289E-01  8.662170E+01
    9.3250  7.275455E-01  8.875567E+01
    9.3750  7.154656E-01  9.087677E+01
    9.4250  7.225903E-01  9.304190E+01
    9.4750  7.346987E-01  9.526673E+01
    9.5250  7.422330E-01  9.753817E+01
    9.5750  7.436311E-01  9.983783E+01
    9.6250  7.472430E-01  1.021729E+02
    9.6750  7.510680E-01  1.045443E+02
    9.7250  7.613577E-01  1.069731E+02
    9.7750  7.602906E-01  1.094236E+02
    9.8250  7.772745E-01  1.119544E+02
    9.8750  7.786958E-01  1.145158E+02
    9.9250  7.888472E-01  1.171369E+02
    9.9750  7.926484E-01  1.197972E+02
   10.0250  7.891960E-01  1.224726E+02
   10.0750  8.037155E-01  1.252244E+02
   10.1250  8.033932E-01  1.280025E+02
   10.1750  8.042506E-01  1.308111E+02
   10.2250  7.971699E-01  1.336224E+02
   10.2750  7.992587E-01  1.364687E+02
   10.3250  7.899606E-01  1.393094E+02
   10.3750  7.890484E-01  1.421743E+02
   10.4250  7.806612E-01  1.450361E+02
   10.4750  7.793146E-01  1.479205E+02
   10.5250  7.812946E-01  1.508398E+02
   10.5750  7.726073E-01  1.537542E+02
   10.6250  7.723033E-01  1.566951E+02
   10.6750  7.750322E-01  1.596742E+02
   10.7250  7.744980E-01  1.626792E+02
   10.7750  7.807327E-01  1.657367E+02
   10.8250  7.801571E-01  1.688204E+02
   10.8750  7.872381E-01  1.719608E+02
   10.9250  7.890569E-01  1.751376E+02
   10.9750  7.897188E-01  1.783461E+02
   11.0250  8.003037E-01  1.816274E+02
   11.0750  8.007397E-01  1.849403E+02
   11.1250  8.132161E-01  1.883353E+02
   11.1750  8.121830E-01  1.917565E+02
   11.2250  8.259277E-01  1.952668E+02
   11.2750  8.388997E-01  1.988640E+02
   11.3250  8.371949E-01  2.024859E+02
   11.3750  8.382064E-01  2.061442E+02
   11.4250  8.376844E-01  2.098325E+02
   11.4750  8.569150E-01  2.136385E+02
   11.5250  8.672921E-01  2.175243E+02
   11.5750  8.739917E-01  2.214741E+02
   11.6250  8.813047E-01  2.254915E+02
   11.6750  8.876197E-01  2.295725E+02
   11.7250  8.981440E-01  2.337374E+02
   11.7750  8.996770E-01  2.379450E+02
   11.8250  9.097740E-01  2.422361E+02
   11.8750  9.134115E-01  2.465808E+02
   11.9250  9.162612E-01  2.509759E+02
   11.9750  9.248339E-01  2.554494E+02
   12.0250  9.204052E-01  2.599387E+02
   12.0750  9.153063E-01  2.644403E+02
   12.1250  9.136209E-01  2.689709E+02
   12.1750  9.140923E-01  2.735414E+02
   12.2250  9.167472E-01  2.781628E+02
   12.2750  9.334031E-01  2.829068E+02
   12.3250  9.257932E-01  2.876505E+02
   12.3750  9.264966E-01  2.924364E+02
   12.4250  9.237405E-01  2.972467E+02
   12.4750  9.314952E-01  3.021365E+02
   12.5250  9.328038E-01  3.070725E+02
   12.5750  9.378868E-01  3.120751E+02
   12.6250  9.390349E-01  3.171237E+02
   12.6750  9.396681E-01  3.222158E+02
   12.7250  9.558492E-01  3.274366E+02
   12.7750  9.540614E-01  3.326886E+02
   12.8250  9.605635E-01  3.380179E+02
   12.8750  9.557762E-01  3.433621E+02
   12.9250  9.565294E-01  3.487521E+02
   12.9750  9.553115E-01  3.541770E+02
   13.0250  9.589305E-01  3.596644E+02
   13.0750  9.702584E-01  3.652594E+02
   13.1250  9.744449E-01  3.709216E+02
   13.1750  9.788190E-01  3.766527E+02
   13.2250  9.838394E-01  3.824569E+02
   13.2750  9.880892E-01  3.883304E+02
   13.3250  1.003490E+00  3.943404E+02
   13.3750  1.000747E+00  4.003791E+02
   13.4250  9.971993E-01  4.064414E+02
   13.4750  1.017253E+00  4.126718E+02
   13.5250  1.013090E+00  4.189228E+02
   13.5750  1.016232E+00  4.252397E+02
   13.6250  1.021179E+00  4.316342E+02
   13.6750  1.012690E+00  4.380221E+02
   13.7250  1.021713E+00  4.445142E+02
   13.7750  1.036485E+00  4.511482E+02
   13.8250  1.037186E+00  4.578349E+02
   13.8750  1.030053E+00  4.645238E+02
   13.9250  1.036959E+00  4.713062E+02
   13.9750  1.044692E+00  4.781883E+02
   14.0250  1.044450E+00  4.851181E+02
   14.0750  1.042475E+00  4.920843E+02
   14.1250  1.047803E+00  4.991358E+02
   14.1750  1.039750E+00  5.061828E+02
   14.2250  1.050015E+00  5.133497E+02
   14.2750  1.046630E+00  5.205438E+02
   14.3250  1.039948E+00  5.277421E+02
   14.3750  1.031750E+00  5.349336E+02
   14.4250  1.026220E+00  5.421364E+02
   14.4750  1.014747E+00  5.493081E+02
   14.5250  1.030429E+00  5.566411E+02
   14.5750  1.032699E+00  5.640409E+02
   14.6250  1.030612E+00  5.714765E+02
   14.6750  1.043787E+00  5.790587E+02
   14.7250  1.050684E+00  5.867431E+02
   14.7750  1.043055E+00  5.944237E+02
   14.8250  1.045563E+00  6.021749E+02
   14.8750  1.056277E+00  6.100584E+02
   14.9250  1.054957E+00  6.179851E+02
   14.9750  1.050017E+00  6.259276E+02
   15.0250  1.054071E+00  6.339542E+02
   15.0750  1.054205E+00  6.420352E+02
   15.1250  1.060421E+00  6.502180E+02
   15.1750  1.062418E+00  6.584704E+02
   15.2250  1.059774E+00  6.667566E+02
   15.2750  1.063097E+00  6.751235E+02
   15.3250  1.068580E+00  6.835887E+02
   15.3750  1.066570E+00  6.920932E+02
   15.4250  1.069381E+00  7.006757E+02
   15.4750  1.061900E+00  7.092535E+02
   15.5250  1.067716E+00  7.179340E+02
   15.5750  1.067210E+00  7.266665E+02
   15.6250  1.067187E+00  7.354549E+02
   15.6750  1.065888E+00  7.442888E+02
   15.7250  1.073292E+00  7.532410E+02
   15.7750  1.076101E+00  7.622738E+02
   15.8250  1.076114E+00  7.713640E+02
   15.8750  1.075597E+00  7.805074E+02
   15.9250  1.081385E+00  7.897579E+02
   15.9750  1.072338E+00  7.989888E+02

g(r)  :HC      HC      

        r      g(r)         n(r)

    1.9750  0.000000E+00  0.000000E+00
    2.0250  0.000000E+00  0.000000E+00
    2.0750  9.547109E-04  4.761905E-06
    2.1250  2.913005E-02  1.571429E-04
    2.1750  2.450420E-01  1.500000E-03
    2.2250  9.864322E-01  7.157143E-03
    2.2750  2.630505E+00  2.292857E-02
    2.3250  5.869857E+00  5.968571E-02
    2.3750  9.847035E+00  1.240286E-01
    2.4250  1.384831E+01  2.183667E-01
    2.4750  1.641020E+01  3.348143E-01
    2.5250  1.714458E+01  4.614381E-01
    2.5750  1.637614E+01  5.872238E-01
    2.6250  1.470651E+01  7.046143E-01
    2.6750  1.260104E+01  8.090667E-01
    2.7250  1.125493E+01  9.058810E-01
    2.7750  1.019054E+01  9.967857E-01
    2.8250  1.004935E+01  1.089690E+00
    2.8750  1.025290E+01  1.187862E+00
    2.9250  1.069864E+01  1.293895E+00
    2.9750  1.060493E+01  1.402624E+00
    3.0250  1.012204E+01  1.509919E+00
    3.0750  9.806423E+00  1.617333E+00
    3.1250  8.856148E+00  1.717519E+00
    3.1750  7.617041E+00  1.806467E+00
    3.2250  6.408027E+00  1.883671E+00
    3.2750  5.606003E+00  1.953324E+00
    3.3250  4.843010E+00  2.015348E+00
    3.3750  4.885715E+00  2.079814E+00
    3.4250  6.995617E+00  2.174876E+00
    3.4750  1.165896E+01  2.337967E+00
    3.5250  1.738407E+01  2.588190E+00
    3.5750  2.153058E+01  2.906952E+00
    3.6250  2.140341E+01  3.232757E+00
    3.6750  1.758095E+01  3.507810E+00
    3.7250  1.271865E+01  3.712243E+00
    3.7750  8.857230E+00  3.858457E+00
    3.8250  6.524125E+00  3.969029E+00
    3.8750  5.374850E+00  4.062519E+00
    3.9250  5.216371E+00  4.155610E+00
    3.9750  5.459826E+00  4.255543E+00
    4.0250  6.336436E+00  4.374457E+00
    4.0750  8.420025E+00  4.536424E+00
    4.1250  1.026436E+01  4.738743E+00
    4.1750  9.771412E+00  4.936043E+00
    4.2250  8.120402E+00  5.103957E+00
    4.2750  7.302653E+00  5.258557E+00
    4.3250  7.094348E+00  5.412281E+00
    4.3750  7.141873E+00  5.570633E+00
    4.4250  7.052349E+00  5.730595E+00
    4.4750  6.918833E+00  5.891095E+00
    4.5250  7.198220E+00  6.061829E+00
    4.5750  7.095557E+00  6.233867E+00
    4.6250  7.314641E+00  6.415114E+00
    4.6750  7.529738E+00  6.605748E+00
    4.7250  7.441192E+00  6.798190E+00
    4.7750  7.783060E+00  7.003757E+00
    4.8250  7.833598E+00  7.215014E+00
    4.8750  7.802252E+00  7.429810E+00
    4.9250  7.764627E+00  7.647976E+00
    4.9750  7.800673E+00  7.871629E+00
    5.0250  7.745843E+00  8.098195E+00
    5.0750  7.752778E+00  8.329500E+00
    5.1250  7.646535E+00  8.562152E+00
    5.1750  7.594814E+00  8.797762E+00
    5.2250  7.528605E+00  9.035852E+00
    5.2750  7.405322E+00  9.274548E+00
    5.3250  7.278362E+00  9.513619E+00
    5.3750  7.302091E+00  9.757995E+00
    5.4250  7.374554E+00  1.000941E+01
    5.4750  7.398870E+00  1.026632E+01
    5.5250  7.624044E+00  1.053591E+01
    5.5750  7.590275E+00  1.080919E+01
    5.6250  7.550651E+00  1.108594E+01
    5.6750  7.565358E+00  1.136818E+01
    5.7250  7.487220E+00  1.165244E+01
    5.7750  7.300694E+00  1.193449E+01
    5.8250  7.340667E+00  1.222301E+01
    5.8750  7.402643E+00  1.251899E+01
    5.9250  7.239004E+00  1.281337E+01
    5.9750  7.106727E+00  1.310727E+01
    6.0250  7.131157E+00  1.340714E+01
    6.0750  7.145135E+00  1.371260E+01
    6.1250  7.160338E+00  1.402377E+01
    6.1750  7.184355E+00  1.434110E+01
    6.2250  7.220895E+00  1.466524E+01
    6.2750  7.496944E+00  1.500719E+01
    6.3250  7.665778E+00  1.536244E+01
    6.3750  7.836304E+00  1.573135E+01
    6.4250  7.893364E+00  1.610880E+01
    6.4750  7.885569E+00  1.649178E+01
    6.5250  7.962246E+00  1.688447E+01
    6.5750  8.094548E+00  1.728982E+01
    6.6250  8.136171E+00  1.770349E+01
    6.6750  8.026179E+00  1.811774E+01
    6.7250  7.787202E+00  1.852570E+01
    6.7750  7.754722E+00  1.893802E+01
    6.8250  7.574887E+00  1.934675E+01
    6.8750  7.545731E+00  1.975990E+01
    6.9250  7.294093E+00  2.016509E+01
    6.9750  7.302612E+00  2.057664E+01
    7.0250  7.247426E+00  2.099095E+01
    7.0750  7.137878E+00  2.140483E+01
    7.1250  7.043556E+00  2.181904E+01
    7.1750  6.884484E+00  2.222959E+01
    7.2250  6.723534E+00  2.263615E+01
    7.2750  6.608908E+00  2.304133E+01
    7.3250  6.454100E+00  2.344248E+01
    7.3750  6.417748E+00  2.384683E+01
    7.4250  6.356510E+00  2.425278E+01
    7.4750  6.291916E+00  2.466002E+01
    7.5250  6.363501E+00  2.507743E+01
    7.5750  6.450994E+00  2.550622E+01
    7.6250  6.409516E+00  2.593790E+01
    7.6750  6.388456E+00  2.637382E+01
    7.7250  6.292455E+00  2.680880E+01
    7.7750  6.199067E+00  2.724289E+01
    7.8250  6.214695E+00  2.768369E+01
    7.8750  6.119523E+00  2.812330E+01
    7.9250  6.070301E+00  2.856494E+01
    7.9750  5.978911E+00  2.900543E+01
    8.0250  5.868192E+00  2.944320E+01
    8.0750  5.844227E+00  2.988463E+01
    8.1250  5.794812E+00  3.032777E+01
    8.1750  5.773169E+00  3.077470E+01
    8.2250  5.653061E+00  3.121771E+01
    8.2750  5.637541E+00  3.166489E+01
    8.3250  5.625841E+00  3.211654E+01
    8.3750  5.599483E+00  3.257150E+01
    8.4250  5.491635E+00  3.302304E+01
    8.4750  5.460453E+00  3.347736E+01
    8.5250  5.365705E+00  3.392908E+01
    8.5750  5.199216E+00  3.437193E+01
    8.6250  5.101810E+00  3.481157E+01
    8.6750  4.988381E+00  3.524643E+01
    8.7250  4.993310E+00  3.568675E+01
    8.7750  4.919217E+00  3.612553E+01
    8.8250  4.882108E+00  3.656597E+01
    8.8750  4.774698E+00  3.700162E+01
    8.9250  4.820436E+00  3.744641E+01
    8.9750  4.744115E+00  3.788908E+01
    9.0250  4.637035E+00  3.832659E+01
    9.0750  4.531372E+00  3.875888E+01
    9.1250  4.403104E+00  3.918357E+01
    9.1750  4.362179E+00  3.960894E+01
    9.2250  4.383711E+00  4.004109E+01
    9.2750  4.377336E+00  4.047729E+01
    9.3250  4.334019E+00  4.091385E+01
    9.3750  4.226501E+00  4.134415E+01
    9.4250  4.182147E+00  4.177450E+01
    9.4750  4.230849E+00  4.221448E+01
    9.5250  4.144635E+00  4.265006E+01
    9.5750  4.063305E+00  4.308159E+01
    9.6250  4.017782E+00  4.351275E+01
    9.6750  3.936310E+00  4.393957E+01
    9.7250  3.968743E+00  4.437437E+01
    9.7750  3.945971E+00  4.481112E+01
    9.8250  3.860515E+00  4.524280E+01
    9.8750  3.864308E+00  4.567932E+01
    9.9250  3.772054E+00  4.610974E+01
    9.9750  3.713553E+00  4.653776E+01
   10.0250  3.682370E+00  4.696646E+01
   10.0750  3.565603E+00  4.738571E+01
   10.1250  3.549361E+00  4.780720E+01
   10.1750  3.590601E+00  4.823782E+01
   10.2250  3.569254E+00  4.867009E+01
   10.2750  3.480245E+00  4.909571E+01
   10.3250  3.455758E+00  4.952247E+01
   10.3750  3.381438E+00  4.994410E+01
   10.4250  3.336408E+00  5.036413E+01
   10.4750  3.298189E+00  5.078334E+01
   10.5250  3.244179E+00  5.119964E+01
   10.5750  3.226991E+00  5.161767E+01
   10.6250  3.150299E+00  5.202964E+01
   10.6750  3.043804E+00  5.243143E+01
   10.7250  3.042936E+00  5.283689E+01
   10.7750  2.947310E+00  5.323327E+01
   10.8250  2.865700E+00  5.362226E+01
   10.8750  2.793389E+00  5.400494E+01
   10.9250  2.766225E+00  5.438740E+01
   10.9750  2.701591E+00  5.476435E+01
   11.0250  2.663242E+00  5.513934E+01
   11.0750  2.638814E+00  5.551427E+01
   11.1250  2.597079E+00  5.588660E+01
   11.1750  2.593839E+00  5.626183E+01
   11.2250  2.508794E+00  5.662800E+01
   11.2750  2.519544E+00  5.699903E+01
   11.3250  2.542090E+00  5.737671E+01
   11.3750  2.546637E+00  5.775841E+01
   11.4250  2.563983E+00  5.814610E+01
   11.4750  2.553582E+00  5.853560E+01
   11.5250  2.531937E+00  5.892517E+01
   11.5750  2.489369E+00  5.931152E+01
   11.6250  2.513751E+00  5.970503E+01
   11.6750  2.502279E+00  6.010013E+01
   11.7250  2.452158E+00  6.049063E+01
   11.7750  2.398407E+00  6.087584E+01
   11.8250  2.328954E+00  6.125308E+01
   11.8750  2.319820E+00  6.163202E+01
   11.9250  2.352065E+00  6.201948E+01
   11.9750  2.296488E+00  6.240095E+01
   12.0250  2.266997E+00  6.278068E+01
   12.0750  2.261597E+00  6.316266E+01
   12.1250  2.265436E+00  6.354847E+01
   12.1750  2.236579E+00  6.393250E+01
   12.2250  2.181270E+00  6.431013E+01
   12.2750  2.157343E+00  6.468667E+01
   12.3250  2.153081E+00  6.506554E+01
   12.3750  2.110431E+00  6.543992E+01
   12.4250  2.077210E+00  6.581139E+01
   12.4750  2.022450E+00  6.617599E+01
   12.5250  1.974444E+00  6.653479E+01
   12.5750  1.986538E+00  6.689867E+01
   12.6250  1.935913E+00  6.725611E+01
   12.6750  1.919467E+00  6.761332E+01
   12.7250  1.881031E+00  6.796615E+01
   12.7750  1.842683E+00  6.831451E+01
   12.8250  1.800552E+00  6.865757E+01
   12.8750  1.783445E+00  6.900003E+01
   12.9250  1.731359E+00  6.933507E+01
   12.9750  1.686639E+00  6.966399E+01
   13.0250  1.675290E+00  6.999322E+01
   13.0750  1.669090E+00  7.032375E+01
   13.1250  1.620507E+00  7.064712E+01
   13.1750  1.577585E+00  7.096433E+01
   13.2250  1.544549E+00  7.127726E+01
   13.2750  1.522649E+00  7.158809E+01
   13.3250  1.511753E+00  7.189902E+01
   13.3750  1.453891E+00  7.220030E+01
   13.4250  1.441622E+00  7.250128E+01
   13.4750  1.402757E+00  7.279633E+01
   13.5250  1.362336E+00  7.308500E+01
   13.5750  1.325818E+00  7.336802E+01
   13.6250  1.322283E+00  7.365237E+01
   13.6750  1.275174E+00  7.392860E+01
   13.7250  1.237727E+00  7.419869E+01
   13.7750  1.210105E+00  7.446468E+01
   13.8250  1.173902E+00  7.472458E+01
   13.8750  1.146815E+00  7.498033E+01
   13.9250  1.107939E+00  7.522919E+01
   13.9750  1.062222E+00  7.546950E+01
   14.0250  1.033742E+00  7.570504E+01
   14.0750  9.792442E-01  7.592976E+01
   14.1250  9.436224E-01  7.614785E+01
   14.1750  9.036496E-01  7.635818E+01
   14.2250  8.612892E-01  7.656006E+01
   14.2750  8.255510E-01  7.675493E+01
   14.3250  7.776492E-01  7.693979E+01
   14.3750  7.567518E-01  7.712093E+01
   14.4250  7.208536E-01  7.729468E+01
   14.4750  6.813516E-01  7.746005E+01
   14.5250  6.453177E-01  7.761776E+01
   14.5750  6.071296E-01  7.776716E+01
   14.6250  5.682178E-01  7.790795E+01
   14.6750  5.448248E-01  7.804386E+01
   14.7250  5.204656E-01  7.817459E+01
   14.7750  4.920921E-01  7.829902E+01
   14.8250  4.672685E-01  7.841799E+01
   14.8750  4.420796E-01  7.853130E+01
   14.9250  4.194501E-01  7.863953E+01
   14.9750  3.911549E-01  7.874114E+01
   15.0250  3.744252E-01  7.883905E+01
   15.0750  3.341034E-01  7.892700E+01
   15.1250  3.097596E-01  7.900909E+01
   15.1750  2.950651E-01  7.908780E+01
   15.2250  2.729309E-01  7.916109E+01
   15.2750  2.495469E-01  7.922853E+01
   15.3250  2.213682E-01  7.928876E+01
   15.3750  2.051841E-01  7.934494E+01
   15.4250  1.919865E-01  7.939786E+01
   15.4750  1.662521E-01  7.944398E+01
   15.5250  1.505152E-01  7.948600E+01
   15.5750  1.326210E-01  7.952327E+01
   15.6250  1.146663E-01  7.955570E+01
   15.6750  1.006685E-01  7.958435E+01
   15.7250  9.924800E-02  7.961278E+01
   15.7750  8.773367E-02  7.963807E+01
   15.8250  7.330946E-02  7.965933E+01
   15.8750  6.572015E-02  7.967852E+01
   15.9250  5.655498E-02  7.969513E+01
   15.9750  4.848568E-02  7.970947E+01

g(r)  :HC      N       

        r      g(r)         n(r)

    2.1750  0.000000E+00  0.000000E+00
    2.2250  0.000000E+00  0.000000E+00
    2.2750  5.003678E-02  2.142857E-05
    2.3250  9.954194E-01  4.666667E-04
    2.3750  3.147524E+00  1.935714E-03
    2.4250  7.515874E+00  5.592857E-03
    2.4750  1.387626E+01  1.262619E-02
    2.5250  2.028258E+01  2.332619E-02
    2.5750  2.269660E+01  3.577857E-02
    2.6250  2.174835E+01  4.817857E-02
    2.6750  2.059712E+01  6.037381E-02
    2.7250  1.701165E+01  7.082619E-02
    2.7750  1.308596E+01  7.916429E-02
    2.8250  1.157401E+01  8.680714E-02
    2.8750  1.117147E+01  9.444762E-02
    2.9250  1.000244E+01  1.015286E-01
    2.9750  1.061515E+01  1.093024E-01
    3.0250  1.126399E+01  1.178310E-01
    3.0750  1.284525E+01  1.278810E-01
    3.1250  1.324781E+01  1.385857E-01
    3.1750  1.374729E+01  1.500524E-01
    3.2250  1.306427E+01  1.612952E-01
    3.2750  1.238671E+01  1.722881E-01
    3.3250  1.184000E+01  1.831190E-01
    3.3750  1.077687E+01  1.932762E-01
    3.4250  1.036640E+01  2.033381E-01
    3.4750  8.771540E+00  2.121024E-01
    3.5250  7.961731E+00  2.202881E-01
    3.5750  8.456556E+00  2.292310E-01
    3.6250  1.022198E+01  2.403452E-01
    3.6750  1.317575E+01  2.550690E-01
    3.7250  1.810018E+01  2.758500E-01
    3.7750  2.218937E+01  3.020143E-01
    3.8250  2.332613E+01  3.302524E-01
    3.8750  2.237545E+01  3.580524E-01
    3.9250  2.159981E+01  3.855857E-01
    3.9750  2.504818E+01  4.183333E-01
    4.0250  2.891284E+01  4.570905E-01
    4.0750  3.099241E+01  4.996738E-01
    4.1250  2.873548E+01  5.401310E-01
    4.1750  2.213632E+01  5.720571E-01
    4.2250  1.673592E+01  5.967762E-01
    4.2750  1.256787E+01  6.157810E-01
    4.3250  1.166209E+01  6.338310E-01
    4.3750  1.230209E+01  6.533143E-01
    4.4250  1.538954E+01  6.782476E-01
    4.4750  2.153675E+01  7.139333E-01
    4.5250  2.537647E+01  7.569262E-01
    4.5750  2.329604E+01  7.972714E-01
    4.6250  1.582943E+01  8.252881E-01
    4.6750  1.279753E+01  8.484310E-01
    4.7250  1.353990E+01  8.734429E-01
    4.7750  1.401758E+01  8.998881E-01
    4.8250  1.503876E+01  9.288571E-01
    4.8750  1.532879E+01  9.590000E-01
    4.9250  1.568229E+01  9.904738E-01
    4.9750  1.571861E+01  1.022664E+00
    5.0250  1.474981E+01  1.053481E+00
    5.0750  1.404946E+01  1.083421E+00
    5.1250  1.301415E+01  1.111705E+00
    5.1750  1.254254E+01  1.139498E+00
    5.2250  1.222775E+01  1.167119E+00
    5.2750  1.179022E+01  1.194264E+00
    5.3250  1.184892E+01  1.222064E+00
    5.3750  1.206377E+01  1.250902E+00
    5.4250  1.208294E+01  1.280326E+00
    5.4750  1.197366E+01  1.310024E+00
    5.5250  1.195965E+01  1.340231E+00
    5.5750  1.180812E+01  1.370598E+00
    5.6250  1.124445E+01  1.400036E+00
    5.6750  1.137420E+01  1.430345E+00
    5.7250  1.113162E+01  1.460533E+00
    5.7750  1.129001E+01  1.491688E+00
    5.8250  1.002675E+01  1.519838E+00
    5.8750  9.685904E+00  1.547500E+00
    5.9250  9.369838E+00  1.574717E+00
    5.9750  9.187885E+00  1.601857E+00
    6.0250  9.487070E+00  1.630352E+00
    6.0750  1.000600E+01  1.660907E+00
    6.1250  1.036181E+01  1.693071E+00
    6.1750  1.048599E+01  1.726155E+00
    6.2250  1.077639E+01  1.760707E+00
    6.2750  1.102993E+01  1.796643E+00
    6.3250  1.082819E+01  1.832486E+00
    6.3750  1.102081E+01  1.869545E+00
    6.4250  1.117200E+01  1.907705E+00
    6.4750  1.065283E+01  1.944660E+00
    6.5250  1.092884E+01  1.983160E+00
    6.5750  1.112403E+01  2.022950E+00
    6.6250  1.142224E+01  2.064431E+00
    6.6750  1.169287E+01  2.107538E+00
    6.7250  1.145029E+01  2.150386E+00
    6.7750  1.089197E+01  2.191752E+00
    6.8250  1.094980E+01  2.233955E+00
    6.8750  1.074788E+01  2.275988E+00
    6.9250  1.070905E+01  2.318481E+00
    6.9750  1.036265E+01  2.360195E+00
    7.0250  9.856486E+00  2.400443E+00
    7.0750  9.764805E+00  2.440886E+00
    7.1250  9.197443E+00  2.479519E+00
    7.1750  8.706937E+00  2.516607E+00
    7.2250  8.392251E+00  2.552855E+00
    7.2750  8.359933E+00  2.589464E+00
    7.3250  8.408158E+00  2.626793E+00
    7.3750  8.079739E+00  2.663155E+00
    7.4250  8.072547E+00  2.699979E+00
    7.4750  8.355796E+00  2.738610E+00
    7.5250  8.055068E+00  2.776350E+00
    7.5750  8.294105E+00  2.815729E+00
    7.6250  8.181727E+00  2.855088E+00
    7.6750  7.133147E+00  2.889855E+00
    7.7250  6.950936E+00  2.924176E+00
    7.7750  6.698072E+00  2.957679E+00
    7.8250  6.220334E+00  2.989193E+00
    7.8750  5.768535E+00  3.018793E+00
    7.9250  5.374340E+00  3.046721E+00
    7.9750  5.115326E+00  3.073640E+00
    8.0250  4.968673E+00  3.100117E+00
    8.0750  4.955435E+00  3.126852E+00
    8.1250  4.854967E+00  3.153371E+00
    8.1750  4.818150E+00  3.180014E+00
    8.2250  4.977532E+00  3.207876E+00
    8.2750  4.962528E+00  3.235993E+00
    8.3250  4.918044E+00  3.264195E+00
    8.3750  5.087600E+00  3.293721E+00
    8.4250  5.152661E+00  3.323983E+00
    8.4750  5.249892E+00  3.355183E+00
    8.5250  4.793335E+00  3.384007E+00
    8.5750  4.730946E+00  3.412790E+00
    8.6250  4.832529E+00  3.442536E+00
    8.6750  4.643535E+00  3.471450E+00
    8.7250  4.796100E+00  3.501660E+00
    8.7750  4.831663E+00  3.532443E+00
    8.8250  4.894565E+00  3.563983E+00
    8.8750  4.798653E+00  3.595257E+00
    8.9250  4.737451E+00  3.626481E+00
    8.9750  4.619081E+00  3.657267E+00
    9.0250  4.925219E+00  3.690460E+00
    9.0750  4.863759E+00  3.723602E+00
    9.1250  4.689647E+00  3.755912E+00
    9.1750  4.656448E+00  3.788345E+00
    9.2250  4.585144E+00  3.820631E+00
    9.2750  4.496037E+00  3.852633E+00
    9.3250  4.443649E+00  3.884605E+00
    9.3750  4.192404E+00  3.915093E+00
    9.4250  4.154195E+00  3.945626E+00
    9.4750  4.320414E+00  3.977719E+00
    9.5250  4.319579E+00  4.010145E+00
    9.5750  4.304401E+00  4.042798E+00
    9.6250  4.359194E+00  4.076212E+00
    9.6750  4.289661E+00  4.109436E+00
    9.7250  4.247490E+00  4.142674E+00
    9.7750  4.158674E+00  4.175552E+00
    9.8250  4.287265E+00  4.209795E+00
    9.8750  4.393275E+00  4.245243E+00
    9.9250  4.263530E+00  4.279993E+00
    9.9750  4.214243E+00  4.314688E+00
   10.0250  4.213828E+00  4.349729E+00
   10.0750  4.119094E+00  4.384324E+00
   10.1250  4.032198E+00  4.418526E+00
   10.1750  3.862867E+00  4.451617E+00
   10.2250  3.942980E+00  4.485726E+00
   10.2750  4.046976E+00  4.521079E+00
   10.3250  4.008684E+00  4.556438E+00
   10.3750  3.897425E+00  4.591150E+00
   10.4250  3.917321E+00  4.626376E+00
   10.4750  3.725547E+00  4.660200E+00
   10.5250  3.700105E+00  4.694114E+00
   10.5750  3.532424E+00  4.726800E+00
   10.6250  3.423551E+00  4.758779E+00
   10.6750  3.392061E+00  4.790762E+00
   10.7250  3.428552E+00  4.823393E+00
   10.7750  3.543783E+00  4.857436E+00
   10.8250  3.586756E+00  4.892212E+00
   10.8750  3.554337E+00  4.926993E+00
   10.9250  3.626271E+00  4.962805E+00
   10.9750  3.584704E+00  4.998531E+00
   11.0250  3.595587E+00  5.034693E+00
   11.0750  3.461141E+00  5.069819E+00
   11.1250  3.346864E+00  5.104093E+00
   11.1750  3.250619E+00  5.137681E+00
   11.2250  3.234285E+00  5.171400E+00
   11.2750  3.307977E+00  5.206195E+00
   11.3250  3.097996E+00  5.239071E+00
   11.3750  2.999877E+00  5.271188E+00
   11.4250  2.879103E+00  5.302283E+00
   11.4750  2.775832E+00  5.332526E+00
   11.5250  2.549888E+00  5.360550E+00
   11.5750  2.543370E+00  5.388745E+00
   11.6250  2.375893E+00  5.415312E+00
   11.6750  2.199575E+00  5.440119E+00
   11.7250  2.060918E+00  5.463562E+00
   11.7750  1.802289E+00  5.484238E+00
   11.8250  1.785640E+00  5.504898E+00
   11.8750  1.667175E+00  5.524350E+00
   11.9250  1.546584E+00  5.542548E+00
   11.9750  1.538713E+00  5.560805E+00
   12.0250  1.492710E+00  5.578664E+00
   12.0750  1.414062E+00  5.595724E+00
   12.1250  1.343704E+00  5.612069E+00
   12.1750  1.174087E+00  5.626469E+00
   12.2250  1.109821E+00  5.640193E+00
   12.2750  9.791446E-01  5.652400E+00
   12.3250  9.460220E-01  5.664290E+00
   12.3750  8.609763E-01  5.675200E+00
   12.4250  8.428772E-01  5.685967E+00
   12.4750  7.414636E-01  5.695514E+00
   12.5250  6.058703E-01  5.703379E+00
   12.5750  5.655768E-01  5.710779E+00
   12.6250  5.098336E-01  5.717502E+00
   12.6750  4.631900E-01  5.723660E+00
   12.7250  4.314790E-01  5.729440E+00
   12.7750  4.102997E-01  5.734981E+00
   12.8250  4.050073E-01  5.740493E+00
   12.8750  3.727041E-01  5.745605E+00
   12.9250  3.510506E-01  5.750457E+00
   12.9750  3.249331E-01  5.754983E+00
   13.0250  2.730845E-01  5.758817E+00
   13.0750  2.124235E-01  5.761821E+00
   13.1250  1.905959E-01  5.764538E+00
   13.1750  1.946227E-01  5.767333E+00
   13.2250  1.775238E-01  5.769902E+00
   13.2750  1.885991E-01  5.772652E+00
   13.3250  1.395389E-01  5.774702E+00
   13.3750  1.294896E-01  5.776619E+00
   13.4250  9.691405E-02  5.778064E+00
   13.4750  5.942926E-02  5.778957E+00
   13.5250  6.009183E-02  5.779867E+00
   13.5750  4.637708E-02  5.780574E+00
   13.6250  5.006753E-02  5.781343E+00
   13.6750  4.970207E-02  5.782112E+00
   13.7250  4.032793E-02  5.782740E+00
   13.7750  3.427298E-02  5.783279E+00
   13.8250  2.589553E-02  5.783688E+00
   13.8750  2.914710E-02  5.784152E+00
   13.9250  2.196332E-02  5.784505E+00
   13.9750  1.841760E-02  5.784802E+00
   14.0250  1.331258E-02  5.785019E+00
   14.0750  1.307291E-02  5.785233E+00
   14.1250  6.201807E-03  5.785336E+00
   14.1750  8.306318E-03  5.785474E+00
   14.2250  1.023893E-02  5.785645E+00
   14.2750  2.541833E-03  5.785688E+00
   14.3250  1.542518E-03  5.785714E+00
   14.3750  0.000000E+00  5.785714E+00
   14.4250  0.000000E+00  5.785714E+00
   14.4750  0.000000E+00  5.785714E+00
   14.5250  0.000000E+00  5.785714E+00
   14.5750  0.000000E+00  5.785714E+00
   14.6250  0.000000E+00  5.785714E+00
   14.6750  0.000000E+00  5.785714E+00
   14.7250  0.000000E+00  5.785714E+00
   14.7750  0.000000E+00  5.785714E+00
   14.8250  0.000000E+00  5.785714E+00
   14.8750  0.000000E+00  5.785714E+00
   14.9250  0.000000E+00  5.785714E+00
   14.9750  0.000000E+00  5.785714E+00
   15.0250  0.000000E+00  5.785714E+00
   15.0750  0.000000E+00  5.785714E+00
   15.1250  0.000000E+00  5.785714E+00
   15.1750  0.000000E+00  5.785714E+00
   15.2250  0.000000E+00  5.785714E+00
   15.2750  0.000000E+00  5.785714E+00
   15.3250  0.000000E+00  5.785714E+00
   15.3750  0.000000E+00  5.785714E+00
   15.4250  0.000000E+00  5.785714E+00
   15.4750  0.000000E+00  5.785714E+00
   15.5250  0.000000E+00  5.785714E+00
   15.5750  0.000000E+00  5.785714E+00
   15.6250  0.000000E+00  5.785714E+00
   15.6750  0.000000E+00  5.785714E+00
   15.7250  0.000000E+00  5.785714E+00
   15.7750  0.000000E+00  5.785714E+00
   15.8250  0.000000E+00  5.785714E+00
   15.8750  0.000000E+00  5.785714E+00
   15.9250  0.000000E+00  5.785714E+00
   15.9750  0.000000E+00  5.785714E+00

g(r)  :HC      OS      

        r      g(r)         n(r)

    2.0750  0.000000E+00  0.000000E+00
    2.1250  0.000000E+00  0.000000E+00
    2.1750  1.216521E-02  4.761905E-06
    2.2250  1.453078E-01  6.428571E-05
    2.2750  7.449921E-01  3.833333E-04
    2.3250  2.954320E+00  1.704762E-03
    2.3750  6.218528E+00  4.607143E-03
    2.4250  9.575889E+00  9.266667E-03
    2.4750  1.169195E+01  1.519286E-02
    2.5250  1.511039E+01  2.316429E-02
    2.5750  1.558818E+01  3.171667E-02
    2.6250  1.499166E+01  4.026429E-02
    2.6750  1.387350E+01  4.847857E-02
    2.7250  1.151677E+01  5.555476E-02
    2.7750  9.435193E+00  6.156667E-02
    2.8250  8.732790E+00  6.733333E-02
    2.8750  8.442134E+00  7.310714E-02
    2.9250  7.604408E+00  7.849048E-02
    2.9750  7.858138E+00  8.424524E-02
    3.0250  9.172821E+00  9.119048E-02
    3.0750  9.491672E+00  9.861667E-02
    3.1250  1.089939E+01  1.074238E-01
    3.1750  1.176341E+01  1.172357E-01
    3.2250  1.272396E+01  1.281857E-01
    3.2750  1.297962E+01  1.397048E-01
    3.3250  1.366974E+01  1.522095E-01
    3.3750  1.379823E+01  1.652143E-01
    3.4250  1.316527E+01  1.779929E-01
    3.4750  1.196227E+01  1.899452E-01
    3.5250  1.268365E+01  2.029857E-01
    3.5750  1.285820E+01  2.165833E-01
    3.6250  1.440888E+01  2.322500E-01
    3.6750  1.663587E+01  2.508405E-01
    3.7250  1.875135E+01  2.723690E-01
    3.7750  2.119995E+01  2.973667E-01
    3.8250  2.169960E+01  3.236357E-01
    3.8750  2.150159E+01  3.503500E-01
    3.9250  2.167079E+01  3.779738E-01
    3.9750  2.079214E+01  4.051571E-01
    4.0250  1.879211E+01  4.303476E-01
    4.0750  1.591470E+01  4.522143E-01
    4.1250  1.328711E+01  4.709214E-01
    4.1750  1.044826E+01  4.859905E-01
    4.2250  9.430278E+00  4.999190E-01
    4.2750  9.758915E+00  5.146762E-01
    4.3250  9.508430E+00  5.293929E-01
    4.3750  1.051909E+01  5.460524E-01
    4.4250  1.167442E+01  5.649667E-01
    4.4750  1.446561E+01  5.889357E-01
    4.5250  1.559240E+01  6.153524E-01
    4.5750  1.692796E+01  6.446690E-01
    4.6250  1.774505E+01  6.760762E-01
    4.6750  1.810876E+01  7.088238E-01
    4.7250  1.794279E+01  7.419690E-01
    4.7750  1.741755E+01  7.748286E-01
    4.8250  1.639592E+01  8.064119E-01
    4.8750  1.535906E+01  8.366143E-01
    4.9250  1.534893E+01  8.674190E-01
    4.9750  1.614180E+01  9.004762E-01
    5.0250  1.701647E+01  9.360286E-01
    5.0750  1.663925E+01  9.714881E-01
    5.1250  1.676206E+01  1.007917E+00
    5.1750  1.578536E+01  1.042895E+00
    5.2250  1.425464E+01  1.075095E+00
    5.2750  1.253170E+01  1.103948E+00
    5.3250  1.094980E+01  1.129638E+00
    5.3750  9.811771E+00  1.153093E+00
    5.4250  8.810439E+00  1.174548E+00
    5.4750  8.762570E+00  1.196281E+00
    5.5250  9.153324E+00  1.219400E+00
    5.5750  9.138010E+00  1.242900E+00
    5.6250  9.221831E+00  1.267043E+00
    5.6750  9.780207E+00  1.293105E+00
    5.7250  9.659286E+00  1.319300E+00
    5.7750  9.093265E+00  1.344393E+00
    5.8250  7.435893E+00  1.365269E+00
    5.8750  6.002626E+00  1.382412E+00
    5.9250  5.448457E+00  1.398238E+00
    5.9750  5.222239E+00  1.413664E+00
    6.0250  5.332514E+00  1.429681E+00
    6.0750  5.676276E+00  1.447014E+00
    6.1250  6.140845E+00  1.466076E+00
    6.1750  6.100665E+00  1.485324E+00
    6.2250  6.479053E+00  1.506098E+00
    6.2750  7.041970E+00  1.529040E+00
    6.3250  7.805731E+00  1.554879E+00
    6.3750  8.398901E+00  1.583121E+00
    6.4250  9.100297E+00  1.614205E+00
    6.4750  1.037349E+01  1.650190E+00
    6.5250  1.151009E+01  1.690738E+00
    6.5750  1.202130E+01  1.733738E+00
    6.6250  1.215850E+01  1.777893E+00
    6.6750  1.201320E+01  1.822181E+00
    6.7250  1.137712E+01  1.864755E+00
    6.7750  1.096344E+01  1.906393E+00
    6.8250  1.045374E+01  1.946683E+00
    6.8750  9.468170E+00  1.983712E+00
    6.9250  9.090121E+00  2.019781E+00
    6.9750  8.765669E+00  2.055067E+00
    7.0250  8.703142E+00  2.090605E+00
    7.0750  8.151709E+00  2.124367E+00
    7.1250  7.558160E+00  2.156114E+00
    7.1750  7.607460E+00  2.188519E+00
    7.2250  7.812335E+00  2.222262E+00
    7.2750  7.895069E+00  2.256836E+00
    7.3250  7.897061E+00  2.291895E+00
    7.3750  7.679244E+00  2.326455E+00
    7.4250  7.692564E+00  2.361545E+00
    7.4750  7.843891E+00  2.397810E+00
    7.5250  7.647512E+00  2.433640E+00
    7.5750  7.485707E+00  2.469181E+00
    7.6250  7.552173E+00  2.505512E+00
    7.6750  7.208865E+00  2.540648E+00
    7.7250  7.432655E+00  2.577348E+00
    7.7750  6.931798E+00  2.612019E+00
    7.8250  6.809659E+00  2.646519E+00
    7.8750  6.677989E+00  2.680786E+00
    7.9250  6.305343E+00  2.713552E+00
    7.9750  6.313849E+00  2.746779E+00
    8.0250  5.886001E+00  2.778143E+00
    8.0750  5.903803E+00  2.809995E+00
    8.1250  5.807391E+00  2.841717E+00
    8.1750  6.008694E+00  2.874943E+00
    8.2250  5.962660E+00  2.908319E+00
    8.2750  5.978230E+00  2.942190E+00
    8.3250  5.937360E+00  2.976238E+00
    8.3750  5.737447E+00  3.009536E+00
    8.4250  5.718197E+00  3.043119E+00
    8.4750  5.618875E+00  3.076512E+00
    8.5250  5.250654E+00  3.108086E+00
    8.5750  5.056544E+00  3.138850E+00
    8.6250  5.033288E+00  3.169831E+00
    8.6750  4.707391E+00  3.199143E+00
    8.7250  4.487650E+00  3.227410E+00
    8.7750  4.527839E+00  3.256257E+00
    8.8250  4.722385E+00  3.286688E+00
    8.8750  4.956477E+00  3.318990E+00
    8.9250  4.971542E+00  3.351757E+00
    8.9750  4.830923E+00  3.383955E+00
    9.0250  4.536600E+00  3.414529E+00
    9.0750  4.933640E+00  3.448148E+00
    9.1250  5.128891E+00  3.483483E+00
    9.1750  5.151764E+00  3.519367E+00
    9.2250  5.256009E+00  3.556376E+00
    9.2750  5.124231E+00  3.592850E+00
    9.3250  5.222644E+00  3.630426E+00
    9.3750  5.196224E+00  3.668214E+00
    9.4250  4.976353E+00  3.704790E+00
    9.4750  5.041284E+00  3.742238E+00
    9.5250  5.127418E+00  3.780729E+00
    9.5750  5.148395E+00  3.819783E+00
    9.6250  4.770450E+00  3.856350E+00
    9.6750  4.882048E+00  3.894162E+00
    9.7250  4.807331E+00  3.931781E+00
    9.7750  4.768517E+00  3.969481E+00
    9.8250  4.623521E+00  4.006410E+00
    9.8750  4.486523E+00  4.042610E+00
    9.9250  4.384176E+00  4.078343E+00
    9.9750  4.282495E+00  4.113600E+00
   10.0250  4.252195E+00  4.148960E+00
   10.0750  4.030362E+00  4.182810E+00
   10.1250  4.008058E+00  4.216807E+00
   10.1750  3.958758E+00  4.250719E+00
   10.2250  3.772061E+00  4.283350E+00
   10.2750  3.809848E+00  4.316631E+00
   10.3250  3.663178E+00  4.348943E+00
   10.3750  3.481992E+00  4.379955E+00
   10.4250  3.641692E+00  4.412702E+00
   10.4750  3.555608E+00  4.444983E+00
   10.5250  3.472550E+00  4.476812E+00
   10.5750  3.563559E+00  4.509786E+00
   10.6250  3.612176E+00  4.543526E+00
   10.6750  3.673364E+00  4.578162E+00
   10.7250  3.684224E+00  4.613226E+00
   10.7750  3.677871E+00  4.648557E+00
   10.8250  3.336032E+00  4.680902E+00
   10.8750  3.341437E+00  4.713600E+00
   10.9250  3.420378E+00  4.747379E+00
   10.9750  3.223964E+00  4.779510E+00
   11.0250  3.177270E+00  4.811464E+00
   11.0750  3.080845E+00  4.842731E+00
   11.1250  3.080882E+00  4.874281E+00
   11.1750  2.915118E+00  4.904402E+00
   11.2250  2.843759E+00  4.934050E+00
   11.2750  3.027294E+00  4.965893E+00
   11.3250  3.071296E+00  4.998486E+00
   11.3750  2.982307E+00  5.030414E+00
   11.4250  2.977204E+00  5.062569E+00
   11.4750  3.061020E+00  5.095919E+00
   11.5250  2.867270E+00  5.127431E+00
   11.5750  2.761582E+00  5.158045E+00
   11.6250  2.603943E+00  5.187162E+00
   11.6750  2.592665E+00  5.216402E+00
   11.7250  2.372379E+00  5.243388E+00
   11.7750  2.266352E+00  5.269388E+00
   11.8250  2.219856E+00  5.295071E+00
   11.8750  2.116109E+00  5.319762E+00
   11.9250  1.970109E+00  5.342943E+00
   11.9750  1.897304E+00  5.365455E+00
   12.0250  1.902056E+00  5.388212E+00
   12.0750  1.778580E+00  5.409669E+00
   12.1250  1.590523E+00  5.429017E+00
   12.1750  1.500028E+00  5.447414E+00
   12.2250  1.384965E+00  5.464540E+00
   12.2750  1.326916E+00  5.481083E+00
   12.3250  1.255553E+00  5.496864E+00
   12.3750  1.123102E+00  5.511095E+00
   12.4250  1.074380E+00  5.524819E+00
   12.4750  1.047849E+00  5.538312E+00
   12.5250  1.007032E+00  5.551383E+00
   12.5750  9.772032E-01  5.564169E+00
   12.6250  9.191087E-01  5.576290E+00
   12.6750  8.939602E-01  5.588174E+00
   12.7250  7.927627E-01  5.598795E+00
   12.7750  6.971744E-01  5.608210E+00
   12.8250  6.628823E-01  5.617231E+00
   12.8750  6.072282E-01  5.625560E+00
   12.9250  5.482797E-01  5.633138E+00
   12.9750  4.878270E-01  5.639933E+00
   13.0250  4.618690E-01  5.646417E+00
   13.0750  4.366296E-01  5.652593E+00
   13.1250  3.715034E-01  5.657888E+00
   13.1750  3.582450E-01  5.663033E+00
   13.2250  3.325076E-01  5.667845E+00
   13.2750  3.195570E-01  5.672505E+00
   13.3250  3.328838E-01  5.677395E+00
   13.3750  3.040191E-01  5.681895E+00
   13.4250  2.113908E-01  5.685048E+00
   13.4750  2.239295E-01  5.688412E+00
   13.5250  2.005683E-01  5.691448E+00
   13.5750  2.092434E-01  5.694638E+00
   13.6250  1.641533E-01  5.697160E+00
   13.6750  1.574155E-01  5.699595E+00
   13.7250  1.632975E-01  5.702140E+00
   13.7750  1.395183E-01  5.704331E+00
   13.8250  1.193904E-01  5.706219E+00
   13.8750  1.068727E-01  5.707921E+00
   13.9250  8.711127E-02  5.709319E+00
   13.9750  6.792411E-02  5.710417E+00
   14.0250  4.959303E-02  5.711224E+00
   14.0750  4.807927E-02  5.712012E+00
   14.1250  2.653796E-02  5.712450E+00
   14.1750  2.506217E-02  5.712867E+00
   14.2250  1.407853E-02  5.713102E+00
   14.2750  9.037627E-03  5.713255E+00
   14.3250  7.432130E-03  5.713381E+00
   14.3750  4.734672E-03  5.713462E+00
   14.4250  1.230793E-02  5.713674E+00
   14.4750  9.888310E-03  5.713845E+00
   14.5250  1.213904E-02  5.714057E+00
   14.5750  7.721194E-03  5.714193E+00
   14.6250  5.246861E-03  5.714286E+00
   14.6750  0.000000E+00  5.714286E+00
   14.7250  0.000000E+00  5.714286E+00
   14.7750  0.000000E+00  5.714286E+00
   14.8250  0.000000E+00  5.714286E+00
   14.8750  0.000000E+00  5.714286E+00
   14.9250  0.000000E+00  5.714286E+00
   14.9750  0.000000E+00  5.714286E+00
   15.0250  0.000000E+00  5.714286E+00
   15.0750  0.000000E+00  5.714286E+00
   15.1250  0.000000E+00  5.714286E+00
   15.1750  0.000000E+00  5.714286E+00
   15.2250  0.000000E+00  5.714286E+00
   15.2750  0.000000E+00  5.714286E+00
   15.3250  0.000000E+00  5.714286E+00
   15.3750  0.000000E+00  5.714286E+00
   15.4250  0.000000E+00  5.714286E+00
   15.4750  0.000000E+00  5.714286E+00
   15.5250  0.000000E+00  5.714286E+00
   15.5750  0.000000E+00  5.714286E+00
   15.6250  0.000000E+00  5.714286E+00
   15.6750  0.000000E+00  5.714286E+00
   15.7250  0.000000E+00  5.714286E+00
   15.7750  0.000000E+00  5.714286E+00
   15.8250  0.000000E+00  5.714286E+00
   15.8750  0.000000E+00  5.714286E+00
   15.9250  0.000000E+00  5.714286E+00
   15.9750  0.000000E+00  5.714286E+00

g(r)  :HC      Oe      

        r      g(r)         n(r)

    2.0250  0.000000E+00  0.000000E+00
    2.0750  0.000000E+00  0.000000E+00
    2.1250  6.372198E-03  2.380952E-06
    2.1750  4.744431E-01  1.880952E-04
    2.2250  2.173804E+00  1.078571E-03
    2.2750  5.848744E+00  3.583333E-03
    2.3250  1.135949E+01  8.664286E-03
    2.3750  1.900758E+01  1.753571E-02
    2.4250  2.846344E+01  3.138571E-02
    2.4750  3.538118E+01  4.931905E-02
    2.5250  3.871473E+01  6.974286E-02
    2.5750  3.892705E+01  9.110000E-02
    2.6250  3.587142E+01  1.115524E-01
    2.6750  3.103643E+01  1.299286E-01
    2.7250  2.735814E+01  1.467381E-01
    2.7750  2.311529E+01  1.614667E-01
    2.8250  1.900878E+01  1.740190E-01
    2.8750  1.706529E+01  1.856905E-01
    2.9250  1.536353E+01  1.965667E-01
    2.9750  1.366152E+01  2.065714E-01
    3.0250  1.222309E+01  2.158262E-01
    3.0750  1.067242E+01  2.241762E-01
    3.1250  1.005077E+01  2.322976E-01
    3.1750  8.920326E+00  2.397381E-01
    3.2250  7.849072E+00  2.464929E-01
    3.2750  8.080739E+00  2.536643E-01
    3.3250  8.313245E+00  2.612690E-01
    3.3750  7.962654E+00  2.687738E-01
    3.4250  6.085903E+00  2.746810E-01
    3.4750  6.505380E+00  2.811810E-01
    3.5250  7.239200E+00  2.886238E-01
    3.5750  8.283192E+00  2.973833E-01
    3.6250  9.000073E+00  3.071690E-01
    3.6750  9.165922E+00  3.174119E-01
    3.7250  1.026326E+01  3.291952E-01
    3.7750  1.179031E+01  3.430976E-01
    3.8250  1.231997E+01  3.580119E-01
    3.8750  1.289520E+01  3.740333E-01
    3.9250  1.394723E+01  3.918119E-01
    3.9750  1.433432E+01  4.105524E-01
    4.0250  1.403547E+01  4.293667E-01
    4.0750  1.396002E+01  4.485476E-01
    4.1250  1.509323E+01  4.697976E-01
    4.1750  1.409665E+01  4.901286E-01
    4.2250  1.427277E+01  5.112095E-01
    4.2750  1.450296E+01  5.331405E-01
    4.3250  1.557869E+01  5.572524E-01
    4.3750  1.690842E+01  5.840310E-01
    4.4250  1.795985E+01  6.131286E-01
    4.4750  1.976214E+01  6.458738E-01
    4.5250  2.033125E+01  6.803190E-01
    4.5750  2.190474E+01  7.182548E-01
    4.6250  2.359280E+01  7.600119E-01
    4.6750  2.552396E+01  8.061690E-01
    4.7250  2.740074E+01  8.567857E-01
    4.7750  2.754045E+01  9.087429E-01
    4.8250  2.693431E+01  9.606262E-01
    4.8750  2.484329E+01  1.009479E+00
    4.9250  2.203991E+01  1.053712E+00
    4.9750  1.975754E+01  1.094174E+00
    5.0250  1.793270E+01  1.131640E+00
    5.0750  1.661243E+01  1.167043E+00
    5.1250  1.485907E+01  1.199336E+00
    5.1750  1.400278E+01  1.230364E+00
    5.2250  1.338718E+01  1.260605E+00
    5.2750  1.265786E+01  1.289748E+00
    5.3250  1.233907E+01  1.318698E+00
    5.3750  1.145420E+01  1.346079E+00
    5.4250  1.121080E+01  1.373379E+00
    5.4750  1.091673E+01  1.400455E+00
    5.5250  1.074455E+01  1.427593E+00
    5.5750  1.071008E+01  1.455136E+00
    5.6250  1.075244E+01  1.483286E+00
    5.6750  1.106595E+01  1.512774E+00
    5.7250  1.118957E+01  1.543119E+00
    5.7750  1.213212E+01  1.576598E+00
    5.8250  1.304758E+01  1.613229E+00
    5.8750  1.380687E+01  1.652660E+00
    5.9250  1.394697E+01  1.693171E+00
    5.9750  1.415703E+01  1.734990E+00
    6.0250  1.347199E+01  1.775455E+00
    6.0750  1.297435E+01  1.815074E+00
    6.1250  1.285620E+01  1.854981E+00
    6.1750  1.222246E+01  1.893543E+00
    6.2250  1.214349E+01  1.932479E+00
    6.2750  1.229860E+01  1.972548E+00
    6.3250  1.209198E+01  2.012574E+00
    6.3750  1.186835E+01  2.052483E+00
    6.4250  1.197851E+01  2.093398E+00
    6.4750  1.190748E+01  2.134705E+00
    6.5250  1.160539E+01  2.175588E+00
    6.5750  1.203661E+01  2.218643E+00
    6.6250  1.216113E+01  2.262807E+00
    6.6750  1.230318E+01  2.308164E+00
    6.7250  1.199176E+01  2.353038E+00
    6.7750  1.164677E+01  2.397271E+00
    6.8250  1.174486E+01  2.442538E+00
    6.8750  1.158438E+01  2.487843E+00
    6.9250  1.128630E+01  2.532626E+00
    6.9750  1.079857E+01  2.576095E+00
    7.0250  1.041100E+01  2.618607E+00
    7.0750  1.029714E+01  2.661255E+00
    7.1250  9.896915E+00  2.702826E+00
    7.1750  9.814798E+00  2.744633E+00
    7.2250  1.003663E+01  2.787983E+00
    7.2750  1.001767E+01  2.831852E+00
    7.3250  9.820243E+00  2.875450E+00
    7.3750  9.995979E+00  2.920436E+00
    7.4250  1.019377E+01  2.966936E+00
    7.4750  1.021750E+01  3.014174E+00
    7.5250  1.036167E+01  3.062721E+00
    7.5750  1.020628E+01  3.111179E+00
    7.6250  1.011543E+01  3.159840E+00
    7.6750  1.003731E+01  3.208762E+00
    7.7250  1.034274E+01  3.259831E+00
    7.7750  1.008352E+01  3.310267E+00
    7.8250  1.016467E+01  3.361764E+00
    7.8750  1.019841E+01  3.414095E+00
    7.9250  9.783774E+00  3.464938E+00
    7.9750  9.837026E+00  3.516705E+00
    8.0250  9.463267E+00  3.567131E+00
    8.0750  9.057823E+00  3.616000E+00
    8.1250  8.709561E+00  3.663574E+00
    8.1750  8.754050E+00  3.711981E+00
    8.2250  8.588391E+00  3.760055E+00
    8.2750  8.500046E+00  3.808214E+00
    8.3250  8.241720E+00  3.855476E+00
    8.3750  8.097246E+00  3.902469E+00
    8.4250  7.816153E+00  3.948374E+00
    8.4750  7.764664E+00  3.994519E+00
    8.5250  8.052771E+00  4.042943E+00
    8.5750  7.850733E+00  4.090707E+00
    8.6250  7.404875E+00  4.136286E+00
    8.6750  7.113663E+00  4.180581E+00
    8.7250  6.726183E+00  4.222948E+00
    8.7750  6.523063E+00  4.264507E+00
    8.8250  6.376199E+00  4.305595E+00
    8.8750  6.300173E+00  4.346655E+00
    8.9250  6.237006E+00  4.387762E+00
    8.9750  6.041601E+00  4.428029E+00
    9.0250  6.027838E+00  4.468652E+00
    9.0750  6.096819E+00  4.510198E+00
    9.1250  6.060945E+00  4.551955E+00
    9.1750  6.006005E+00  4.593788E+00
    9.2250  5.822389E+00  4.634786E+00
    9.2750  5.805610E+00  4.676110E+00
    9.3250  5.869601E+00  4.718340E+00
    9.3750  5.899814E+00  4.761245E+00
    9.4250  5.743765E+00  4.803462E+00
    9.4750  5.844851E+00  4.846879E+00
    9.5250  5.811560E+00  4.890505E+00
    9.5750  5.550148E+00  4.932607E+00
    9.6250  5.342295E+00  4.973557E+00
    9.6750  5.104924E+00  5.013095E+00
    9.7250  5.131370E+00  5.053250E+00
    9.7750  5.108221E+00  5.093636E+00
    9.8250  4.963057E+00  5.133276E+00
    9.8750  4.646460E+00  5.170767E+00
    9.9250  4.550394E+00  5.207855E+00
    9.9750  4.221762E+00  5.242612E+00
   10.0250  4.187486E+00  5.277433E+00
   10.0750  3.993509E+00  5.310974E+00
   10.1250  3.851430E+00  5.343643E+00
   10.1750  3.694711E+00  5.375293E+00
   10.2250  3.530407E+00  5.405833E+00
   10.2750  3.386562E+00  5.435417E+00
   10.3250  3.253969E+00  5.464119E+00
   10.3750  2.920864E+00  5.490133E+00
   10.4250  2.744905E+00  5.514817E+00
   10.4750  2.641136E+00  5.538795E+00
   10.5250  2.410887E+00  5.560893E+00
   10.5750  2.283158E+00  5.582019E+00
   10.6250  2.260701E+00  5.603136E+00
   10.6750  2.081497E+00  5.622762E+00
   10.7250  2.078646E+00  5.642545E+00
   10.7750  1.995701E+00  5.661717E+00
   10.8250  1.931387E+00  5.680443E+00
   10.8750  1.790064E+00  5.697960E+00
   10.9250  1.603747E+00  5.713798E+00
   10.9750  1.572922E+00  5.729474E+00
   11.0250  1.433216E+00  5.743888E+00
   11.0750  1.320362E+00  5.757288E+00
   11.1250  1.226680E+00  5.769850E+00
   11.1750  1.124939E+00  5.781474E+00
   11.2250  1.033181E+00  5.792245E+00
   11.2750  9.642795E-01  5.802388E+00
   11.3250  9.620658E-01  5.812598E+00
   11.3750  9.954368E-01  5.823255E+00
   11.4250  8.531492E-01  5.832469E+00
   11.4750  7.696804E-01  5.840855E+00
   11.5250  6.891413E-01  5.848429E+00
   11.5750  6.380976E-01  5.855502E+00
   11.6250  5.459572E-01  5.861607E+00
   11.6750  5.482576E-01  5.867790E+00
   11.7250  5.069614E-01  5.873557E+00
   11.7750  4.767225E-01  5.879026E+00
   11.8250  4.181652E-01  5.883864E+00
   11.8750  3.817975E-01  5.888319E+00
   11.9250  3.302402E-01  5.892205E+00
   11.9750  3.012008E-01  5.895779E+00
   12.0250  2.549209E-01  5.898829E+00
   12.0750  2.032776E-01  5.901281E+00
   12.1250  1.939709E-01  5.903640E+00
   12.1750  1.797627E-01  5.905845E+00
   12.2250  1.979347E-01  5.908293E+00
   12.2750  1.718803E-01  5.910436E+00
   12.3250  1.318445E-01  5.912093E+00
   12.3750  1.057900E-01  5.913433E+00
   12.4250  1.163103E-01  5.914919E+00
   12.4750  1.187081E-01  5.916448E+00
   12.5250  7.135439E-02  5.917374E+00
   12.5750  8.152458E-02  5.918440E+00
   12.6250  9.676729E-02  5.919717E+00
   12.6750  9.994587E-02  5.921045E+00
   12.7250  8.690002E-02  5.922210E+00
   12.7750  5.307271E-02  5.922926E+00
   12.8250  5.318454E-02  5.923650E+00
   12.8750  5.798005E-02  5.924445E+00
   12.9250  5.667107E-02  5.925229E+00
   12.9750  4.837247E-02  5.925902E+00
   13.0250  4.359175E-02  5.926514E+00
   13.0750  3.585278E-02  5.927021E+00
   13.1250  4.075846E-02  5.927602E+00
   13.1750  2.320884E-02  5.927936E+00
   13.2250  2.155294E-02  5.928248E+00
   13.2750  1.240998E-02  5.928429E+00
   13.3250  9.075702E-03  5.928562E+00
   13.3750  6.434266E-04  5.928571E+00
   13.4250  0.000000E+00  5.928571E+00
   13.4750  0.000000E+00  5.928571E+00
   13.5250  0.000000E+00  5.928571E+00
   13.5750  0.000000E+00  5.928571E+00
   13.6250  0.000000E+00  5.928571E+00
   13.6750  0.000000E+00  5.928571E+00
   13.7250  0.000000E+00  5.928571E+00
   13.7750  0.000000E+00  5.928571E+00
   13.8250  0.000000E+00  5.928571E+00
   13.8750  0.000000E+00  5.928571E+00
   13.9250  0.000000E+00  5.928571E+00
   13.9750  0.000000E+00  5.928571E+00
   14.0250  0.000000E+00  5.928571E+00
   14.0750  0.000000E+00  5.928571E+00
   14.1250  0.000000E+00  5.928571E+00
   14.1750  0.000000E+00  5.928571E+00
   14.2250  0.000000E+00  5.928571E+00
   14.2750  0.000000E+00  5.928571E+00
   14.3250  0.000000E+00  5.928571E+00
   14.3750  0.000000E+00  5.928571E+00
   14.4250  0.000000E+00  5.928571E+00
   14.4750  0.000000E+00  5.928571E+00
   14.5250  0.000000E+00  5.928571E+00
   14.5750  0.000000E+00  5.928571E+00
   14.6250  0.000000E+00  5.928571E+00
   14.6750  0.000000E+00  5.928571E+00
   14.7250  0.000000E+00  5.928571E+00
   14.7750  0.000000E+00  5.928571E+00
   14.8250  0.000000E+00  5.928571E+00
   14.8750  0.000000E+00  5.928571E+00
   14.9250  0.000000E+00  5.928571E+00
   14.9750  0.000000E+00  5.928571E+00
   15.0250  0.000000E+00  5.928571E+00
   15.0750  0.000000E+00  5.928571E+00
   15.1250  0.000000E+00  5.928571E+00
   15.1750  0.000000E+00  5.928571E+00
   15.2250  0.000000E+00  5.928571E+00
   15.2750  0.000000E+00  5.928571E+00
   15.3250  0.000000E+00  5.928571E+00
   15.3750  0.000000E+00  5.928571E+00
   15.4250  0.000000E+00  5.928571E+00
   15.4750  0.000000E+00  5.928571E+00
   15.5250  0.000000E+00  5.928571E+00
   15.5750  0.000000E+00  5.928571E+00
   15.6250  0.000000E+00  5.928571E+00
   15.6750  0.000000E+00  5.928571E+00
   15.7250  0.000000E+00  5.928571E+00
   15.7750  0.000000E+00  5.928571E+00
   15.8250  0.000000E+00  5.928571E+00
   15.8750  0.000000E+00  5.928571E+00
   15.9250  0.000000E+00  5.928571E+00
   15.9750  0.000000E+00  5.928571E+00

g(r)  :HC      O       

        r      g(r)         n(r)

    2.0250  0.000000E+00  0.000000E+00
    2.0750  0.000000E+00  0.000000E+00
    2.1250  1.911659E-02  7.142857E-06
    2.1750  1.946433E-01  8.333333E-05
    2.2250  6.626034E-01  3.547619E-04
    2.2750  2.268334E+00  1.326190E-03
    2.3250  5.738300E+00  3.892857E-03
    2.3750  1.250847E+01  9.730952E-03
    2.4250  2.055122E+01  1.973095E-02
    2.4750  2.903023E+01  3.444524E-02
    2.5250  3.623244E+01  5.355952E-02
    2.5750  4.021160E+01  7.562143E-02
    2.6250  3.918295E+01  9.796190E-02
    2.6750  3.373472E+01  1.179357E-01
    2.7250  3.159749E+01  1.373500E-01
    2.7750  2.800291E+01  1.551929E-01
    2.8250  2.430903E+01  1.712452E-01
    2.8750  2.144128E+01  1.859095E-01
    2.9250  1.917750E+01  1.994857E-01
    2.9750  1.572928E+01  2.110048E-01
    3.0250  1.446205E+01  2.219548E-01
    3.0750  1.348432E+01  2.325048E-01
    3.1250  1.205445E+01  2.422452E-01
    3.1750  1.206884E+01  2.523119E-01
    3.2250  1.127422E+01  2.620143E-01
    3.2750  1.064554E+01  2.714619E-01
    3.3250  1.098369E+01  2.815095E-01
    3.3750  1.093097E+01  2.918119E-01
    3.4250  1.086190E+01  3.023548E-01
    3.4750  9.948704E+00  3.122952E-01
    3.5250  1.083101E+01  3.234310E-01
    3.5750  1.131819E+01  3.354000E-01
    3.6250  1.261762E+01  3.491190E-01
    3.6750  1.293712E+01  3.635762E-01
    3.7250  1.496043E+01  3.807524E-01
    3.7750  1.563090E+01  3.991833E-01
    3.8250  1.659774E+01  4.192762E-01
    3.8750  1.476749E+01  4.376238E-01
    3.9250  1.542284E+01  4.572833E-01
    3.9750  1.533778E+01  4.773357E-01
    4.0250  1.436761E+01  4.965952E-01
    4.0750  1.410211E+01  5.159714E-01
    4.1250  1.378938E+01  5.353857E-01
    4.1750  1.403227E+01  5.556238E-01
    4.2250  1.342485E+01  5.754524E-01
    4.2750  1.473127E+01  5.977286E-01
    4.3250  1.645400E+01  6.231952E-01
    4.3750  1.680769E+01  6.498143E-01
    4.4250  1.718979E+01  6.776643E-01
    4.4750  1.752340E+01  7.067000E-01
    4.5250  1.850148E+01  7.380452E-01
    4.5750  1.964319E+01  7.720643E-01
    4.6250  2.032656E+01  8.080405E-01
    4.6750  2.116463E+01  8.463143E-01
    4.7250  2.053734E+01  8.842524E-01
    4.7750  1.966904E+01  9.213595E-01
    4.8250  1.893843E+01  9.578405E-01
    4.8750  1.735204E+01  9.919619E-01
    4.9250  1.641783E+01  1.024912E+00
    4.9750  1.468620E+01  1.054988E+00
    5.0250  1.423015E+01  1.084719E+00
    5.0750  1.312549E+01  1.112690E+00
    5.1250  1.347319E+01  1.141971E+00
    5.1750  1.418651E+01  1.173407E+00
    5.2250  1.397217E+01  1.204969E+00
    5.2750  1.508395E+01  1.239698E+00
    5.3250  1.509327E+01  1.275110E+00
    5.3750  1.484764E+01  1.310602E+00
    5.4250  1.393968E+01  1.344548E+00
    5.4750  1.342417E+01  1.377843E+00
    5.5250  1.265157E+01  1.409798E+00
    5.5750  1.271359E+01  1.442493E+00
    5.6250  1.200111E+01  1.473912E+00
    5.6750  1.177002E+01  1.505276E+00
    5.7250  1.184716E+01  1.537405E+00
    5.7750  1.118215E+01  1.568262E+00
    5.8250  1.104783E+01  1.599279E+00
    5.8750  1.062048E+01  1.629610E+00
    5.9250  1.093298E+01  1.661367E+00
    5.9750  1.051541E+01  1.692429E+00
    6.0250  1.015294E+01  1.722924E+00
    6.0750  1.031164E+01  1.754412E+00
    6.1250  9.758160E+00  1.784702E+00
    6.1750  9.828681E+00  1.815712E+00
    6.2250  9.092952E+00  1.844867E+00
    6.2750  8.340598E+00  1.872040E+00
    6.3250  7.542471E+00  1.897007E+00
    6.3750  7.387804E+00  1.921850E+00
    6.4250  6.849446E+00  1.945245E+00
    6.4750  6.980176E+00  1.969460E+00
    6.5250  7.108814E+00  1.994502E+00
    6.5750  7.216105E+00  2.020314E+00
    6.6250  7.149554E+00  2.046279E+00
    6.6750  6.990534E+00  2.072050E+00
    6.7250  6.872338E+00  2.097767E+00
    6.7750  6.998218E+00  2.124345E+00
    6.8250  6.727408E+00  2.150274E+00
    6.8750  6.711491E+00  2.176521E+00
    6.9250  6.326302E+00  2.201624E+00
    6.9750  6.212860E+00  2.226633E+00
    7.0250  6.517153E+00  2.253245E+00
    7.0750  6.320161E+00  2.279421E+00
    7.1250  6.283351E+00  2.305814E+00
    7.1750  6.330234E+00  2.332779E+00
    7.2250  6.569814E+00  2.361155E+00
    7.2750  6.676094E+00  2.390390E+00
    7.3250  6.726848E+00  2.420255E+00
    7.3750  6.949147E+00  2.451529E+00
    7.4250  6.610553E+00  2.481683E+00
    7.4750  6.177367E+00  2.510243E+00
    7.5250  5.671223E+00  2.536814E+00
    7.5750  5.584066E+00  2.563326E+00
    7.6250  5.358138E+00  2.589102E+00
    7.6750  5.490305E+00  2.615862E+00
    7.7250  5.509635E+00  2.643067E+00
    7.7750  5.370929E+00  2.669931E+00
    7.8250  5.255045E+00  2.696555E+00
    7.8750  5.441874E+00  2.724479E+00
    7.9250  5.495756E+00  2.753038E+00
    7.9750  5.653734E+00  2.782790E+00
    8.0250  5.618801E+00  2.812731E+00
    8.0750  5.722867E+00  2.843607E+00
    8.1250  5.951671E+00  2.876117E+00
    8.1750  5.977693E+00  2.909171E+00
    8.2250  6.010725E+00  2.942817E+00
    8.2750  6.079926E+00  2.977264E+00
    8.3250  5.978050E+00  3.011545E+00
    8.3750  5.894986E+00  3.045757E+00
    8.4250  5.809007E+00  3.079874E+00
    8.4750  5.521921E+00  3.112690E+00
    8.5250  5.576518E+00  3.146224E+00
    8.5750  5.397404E+00  3.179062E+00
    8.6250  5.320307E+00  3.211810E+00
    8.6750  5.261832E+00  3.244574E+00
    8.7250  5.000978E+00  3.276074E+00
    8.7750  4.874639E+00  3.307131E+00
    8.8250  5.042728E+00  3.339626E+00
    8.8750  4.957938E+00  3.371938E+00
    8.9250  4.650389E+00  3.402588E+00
    8.9750  4.682670E+00  3.433798E+00
    9.0250  4.575462E+00  3.464633E+00
    9.0750  4.344538E+00  3.494238E+00
    9.1250  4.653015E+00  3.526295E+00
    9.1750  4.735070E+00  3.559276E+00
    9.2250  4.693348E+00  3.592324E+00
    9.2750  4.660611E+00  3.625498E+00
    9.3250  4.528366E+00  3.658079E+00
    9.3750  4.589872E+00  3.691457E+00
    9.4250  4.325235E+00  3.723248E+00
    9.4750  4.256308E+00  3.754864E+00
    9.5250  4.057911E+00  3.785326E+00
    9.5750  4.016897E+00  3.815798E+00
    9.6250  4.335276E+00  3.849029E+00
    9.6750  4.443060E+00  3.883440E+00
    9.7250  4.301344E+00  3.917100E+00
    9.7750  4.147230E+00  3.949888E+00
    9.8250  4.167728E+00  3.983176E+00
    9.8750  3.866247E+00  4.014371E+00
    9.9250  3.817751E+00  4.045488E+00
    9.9750  3.617621E+00  4.075271E+00
   10.0250  3.619992E+00  4.105374E+00
   10.0750  3.887767E+00  4.138026E+00
   10.1250  3.919639E+00  4.171274E+00
   10.1750  3.856196E+00  4.204307E+00
   10.2250  3.821052E+00  4.237362E+00
   10.2750  3.812574E+00  4.270667E+00
   10.3250  3.853476E+00  4.304657E+00
   10.3750  3.630094E+00  4.336988E+00
   10.4250  3.554581E+00  4.368952E+00
   10.4750  3.480080E+00  4.400548E+00
   10.5250  3.315652E+00  4.430938E+00
   10.5750  3.319367E+00  4.461652E+00
   10.6250  3.245377E+00  4.491967E+00
   10.6750  3.255701E+00  4.522664E+00
   10.7250  3.245930E+00  4.553557E+00
   10.7750  3.064438E+00  4.582995E+00
   10.8250  2.999850E+00  4.612081E+00
   10.8750  2.923666E+00  4.640690E+00
   10.9250  2.723380E+00  4.667586E+00
   10.9750  2.699816E+00  4.694493E+00
   11.0250  2.694559E+00  4.721593E+00
   11.0750  2.664888E+00  4.748638E+00
   11.1250  2.616111E+00  4.775429E+00
   11.1750  2.567175E+00  4.801955E+00
   11.2250  2.444555E+00  4.827440E+00
   11.2750  2.410020E+00  4.852790E+00
   11.3250  2.292535E+00  4.877119E+00
   11.3750  2.259304E+00  4.901307E+00
   11.4250  2.229872E+00  4.925390E+00
   11.4750  2.193218E+00  4.949286E+00
   11.5250  2.159497E+00  4.973019E+00
   11.5750  2.067213E+00  4.995936E+00
   11.6250  2.130809E+00  5.019762E+00
   11.6750  2.167275E+00  5.044205E+00
   11.7250  2.158458E+00  5.068757E+00
   11.7750  2.272993E+00  5.094833E+00
   11.8250  2.170055E+00  5.119940E+00
   11.8750  2.185898E+00  5.145445E+00
   11.9250  2.007342E+00  5.169064E+00
   11.9750  1.977170E+00  5.192524E+00
   12.0250  1.966334E+00  5.216050E+00
   12.0750  1.951859E+00  5.239598E+00
   12.1250  1.822466E+00  5.261767E+00
   12.1750  1.849459E+00  5.284450E+00
   12.2250  1.641048E+00  5.304743E+00
   12.2750  1.724532E+00  5.326243E+00
   12.3250  1.706780E+00  5.347695E+00
   12.3750  1.729657E+00  5.369612E+00
   12.4250  1.757703E+00  5.392064E+00
   12.4750  1.776184E+00  5.414936E+00
   12.5250  1.717091E+00  5.437224E+00
   12.5750  1.683810E+00  5.459255E+00
   12.6250  1.573552E+00  5.480007E+00
   12.6750  1.536444E+00  5.500431E+00
   12.7250  1.449578E+00  5.519852E+00
   12.7750  1.411805E+00  5.538917E+00
   12.8250  1.336961E+00  5.557112E+00
   12.8750  1.298302E+00  5.574919E+00
   12.9250  1.249520E+00  5.592190E+00
   12.9750  1.206235E+00  5.608993E+00
   13.0250  1.228711E+00  5.626240E+00
   13.0750  1.181963E+00  5.642960E+00
   13.1250  1.165792E+00  5.659576E+00
   13.1750  1.171383E+00  5.676400E+00
   13.2250  1.121740E+00  5.692633E+00
   13.2750  9.454447E-01  5.706419E+00
   13.3250  9.847136E-01  5.720886E+00
   13.3750  9.950593E-01  5.735614E+00
   13.4250  9.127803E-01  5.749226E+00
   13.4750  8.022158E-01  5.761279E+00
   13.5250  7.417094E-01  5.772505E+00
   13.5750  7.390664E-01  5.783774E+00
   13.6250  6.778492E-01  5.794186E+00
   13.6750  6.450498E-01  5.804167E+00
   13.7250  6.296656E-01  5.813981E+00
   13.7750  6.355667E-01  5.823960E+00
   13.8250  5.526889E-01  5.832700E+00
   13.8750  4.784608E-01  5.840321E+00
   13.9250  4.241295E-01  5.847126E+00
   13.9750  3.736563E-01  5.853164E+00
   14.0250  3.616341E-01  5.859050E+00
   14.0750  3.779525E-01  5.865245E+00
   14.1250  3.556664E-01  5.871117E+00
   14.1750  2.928693E-01  5.875986E+00
   14.2250  2.755979E-01  5.880600E+00
   14.2750  2.637857E-01  5.885048E+00
   14.3250  2.201593E-01  5.888786E+00
   14.3750  2.113892E-01  5.892400E+00
   14.4250  2.023203E-01  5.895883E+00
   14.4750  1.826591E-01  5.899050E+00
   14.5250  1.623085E-01  5.901883E+00
   14.5750  1.548302E-01  5.904605E+00
   14.6250  1.422034E-01  5.907121E+00
   14.6750  1.215939E-01  5.909288E+00
   14.7250  1.247510E-01  5.911526E+00
   14.7750  9.807192E-02  5.913298E+00
   14.8250  8.654436E-02  5.914871E+00
   14.8750  8.453297E-02  5.916419E+00
   14.9250  6.794911E-02  5.917671E+00
   14.9750  6.800940E-02  5.918933E+00
   15.0250  6.997938E-02  5.920240E+00
   15.0750  7.204840E-02  5.921595E+00
   15.1250  8.654150E-02  5.923233E+00
   15.1750  7.447587E-02  5.924652E+00
   15.2250  4.965605E-02  5.925605E+00
   15.2750  5.093477E-02  5.926588E+00
   15.3250  3.014122E-02  5.927174E+00
   15.3750  3.043242E-02  5.927769E+00
   15.4250  2.152764E-02  5.928193E+00
   15.4750  1.081454E-02  5.928407E+00
   15.5250  4.775552E-03  5.928502E+00
   15.5750  2.016599E-03  5.928543E+00
   15.6250  1.414386E-03  5.928571E+00
   15.6750  0.000000E+00  5.928571E+00
   15.7250  0.000000E+00  5.928571E+00
   15.7750  0.000000E+00  5.928571E+00
   15.8250  0.000000E+00  5.928571E+00
   15.8750  0.000000E+00  5.928571E+00
   15.9250  0.000000E+00  5.928571E+00
   15.9750  0.000000E+00  5.928571E+00

g(r)  :HC      K       

        r      g(r)         n(r)

    2.2250  0.000000E+00  0.000000E+00
    2.2750  0.000000E+00  0.000000E+00
    2.3250  2.235701E-01  1.666667E-05
    2.3750  1.836481E-01  3.095238E-05
    2.4250  4.991010E-01  7.142857E-05
    2.4750  1.268311E+00  1.785714E-04
    2.5250  1.462296E+00  3.071429E-04
    2.5750  2.395511E+00  5.261905E-04
    2.6250  3.883634E+00  8.952381E-04
    2.6750  3.763941E+00  1.266667E-03
    2.7250  3.301578E+00  1.604762E-03
    2.7750  2.668011E+00  1.888095E-03
    2.8250  3.872426E+00  2.314286E-03
    2.8750  4.177551E+00  2.790476E-03
    2.9250  3.410380E+00  3.192857E-03
    2.9750  3.199176E+00  3.583333E-03
    3.0250  3.811265E+00  4.064286E-03
    3.0750  5.550756E+00  4.788095E-03
    3.1250  7.496092E+00  5.797619E-03
    3.1750  7.278986E+00  6.809524E-03
    3.2250  7.752239E+00  7.921429E-03
    3.2750  8.611943E+00  9.195238E-03
    3.3250  1.097848E+01  1.086905E-02
    3.3750  1.201977E+01  1.275714E-02
    3.4250  1.242201E+01  1.476667E-02
    3.4750  1.136654E+01  1.665952E-02
    3.5250  1.103249E+01  1.855000E-02
    3.5750  1.023973E+01  2.035476E-02
    3.6250  1.129936E+01  2.240238E-02
    3.6750  1.177380E+01  2.459524E-02
    3.7250  1.058885E+01  2.662143E-02
    3.7750  8.807903E+00  2.835238E-02
    3.8250  9.015767E+00  3.017143E-02
    3.8750  1.001491E+01  3.224524E-02
    3.9250  1.088209E+01  3.455714E-02
    3.9750  1.012927E+01  3.676429E-02
    4.0250  1.126461E+01  3.928095E-02
    4.0750  1.047001E+01  4.167857E-02
    4.1250  1.165857E+01  4.441429E-02
    4.1750  1.028153E+01  4.688571E-02
    4.2250  9.391590E+00  4.919762E-02
    4.2750  9.418817E+00  5.157143E-02
    4.3250  1.050373E+01  5.428095E-02
    4.3750  1.263734E+01  5.761667E-02
    4.4250  1.305877E+01  6.114286E-02
    4.4750  1.413942E+01  6.504762E-02
    4.5250  1.513566E+01  6.932143E-02
    4.5750  1.534281E+01  7.375000E-02
    4.6250  1.422187E+01  7.794524E-02
    4.6750  1.424317E+01  8.223810E-02
    4.7250  1.507240E+01  8.687857E-02
    4.7750  1.521275E+01  9.166190E-02
    4.8250  1.412781E+01  9.619762E-02
    4.8750  1.240833E+01  1.002643E-01
    4.9250  1.406530E+01  1.049690E-01
    4.9750  1.322595E+01  1.094833E-01
    5.0250  1.286833E+01  1.139643E-01
    5.0750  1.303834E+01  1.185952E-01
    5.1250  1.282462E+01  1.232405E-01
    5.1750  1.329361E+01  1.281500E-01
    5.2250  1.249653E+01  1.328548E-01
    5.2750  1.223593E+01  1.375500E-01
    5.3250  1.180630E+01  1.421667E-01
    5.3750  1.091237E+01  1.465143E-01
    5.4250  1.094094E+01  1.509548E-01
    5.4750  1.151959E+01  1.557167E-01
    5.5250  1.248849E+01  1.609738E-01
    5.5750  1.469859E+01  1.672738E-01
    5.6250  1.656656E+01  1.745024E-01
    5.6750  1.808257E+01  1.825333E-01
    5.7250  1.944324E+01  1.913214E-01
    5.7750  2.019518E+01  2.006095E-01
    5.8250  2.010439E+01  2.100167E-01
    5.8750  1.853311E+01  2.188381E-01
    5.9250  1.955444E+01  2.283048E-01
    5.9750  1.951388E+01  2.379119E-01
    6.0250  1.683701E+01  2.463405E-01
    6.0750  1.461485E+01  2.537786E-01
    6.1250  1.440943E+01  2.612333E-01
    6.1750  1.417250E+01  2.686857E-01
    6.2250  1.358930E+01  2.759476E-01
    6.2750  1.345692E+01  2.832548E-01
    6.3250  1.447499E+01  2.912405E-01
    6.3750  1.449947E+01  2.993667E-01
    6.4250  1.378951E+01  3.072167E-01
    6.4750  1.278669E+01  3.146095E-01
    6.5250  1.365395E+01  3.226262E-01
    6.5750  1.409407E+01  3.310286E-01
    6.6250  1.323700E+01  3.390405E-01
    6.6750  1.358969E+01  3.473905E-01
    6.7250  1.377013E+01  3.559786E-01
    6.7750  1.414690E+01  3.649333E-01
    6.8250  1.450748E+01  3.742524E-01
    6.8750  1.433741E+01  3.835976E-01
    6.9250  1.518240E+01  3.936381E-01
    6.9750  1.568593E+01  4.041619E-01
    7.0250  1.509960E+01  4.144381E-01
    7.0750  1.534568E+01  4.250310E-01
    7.1250  1.578065E+01  4.360786E-01
    7.1750  1.523281E+01  4.468929E-01
    7.2250  1.548245E+01  4.580381E-01
    7.2750  1.404051E+01  4.682857E-01
    7.3250  1.299355E+01  4.779000E-01
    7.3750  1.271638E+01  4.874381E-01
    7.4250  1.260833E+01  4.970238E-01
    7.4750  1.199527E+01  5.062667E-01
    7.5250  1.137294E+01  5.151476E-01
    7.5750  1.001972E+01  5.230762E-01
    7.6250  1.047376E+01  5.314738E-01
    7.6750  1.064550E+01  5.401214E-01
    7.7250  9.064426E+00  5.475810E-01
    7.7750  8.739720E+00  5.548667E-01
    7.8250  8.518418E+00  5.620595E-01
    7.8750  8.360479E+00  5.692095E-01
    7.9250  8.117866E+00  5.762405E-01
    7.9750  8.100548E+00  5.833452E-01
    8.0250  7.463734E+00  5.899738E-01
    8.0750  6.884387E+00  5.961643E-01
    8.1250  7.166067E+00  6.026881E-01
    8.1750  6.773829E+00  6.089310E-01
    8.2250  7.031158E+00  6.154905E-01
    8.2750  7.775985E+00  6.228333E-01
    8.3250  7.329110E+00  6.298381E-01
    8.3750  6.963706E+00  6.365738E-01
    8.4250  6.691568E+00  6.431238E-01
    8.4750  6.437367E+00  6.495000E-01
    8.5250  6.369204E+00  6.558833E-01
    8.5750  7.417517E+00  6.634048E-01
    8.6250  8.701105E+00  6.723310E-01
    8.6750  8.635507E+00  6.812929E-01
    8.7250  8.970008E+00  6.907095E-01
    8.7750  8.468957E+00  6.997024E-01
    8.8250  8.852116E+00  7.092095E-01
    8.8750  8.949935E+00  7.189310E-01
    8.9250  8.706881E+00  7.284952E-01
    8.9750  8.845916E+00  7.383214E-01
    9.0250  8.044418E+00  7.473571E-01
    9.0750  7.861679E+00  7.562857E-01
    9.1250  7.844186E+00  7.652929E-01
    9.1750  6.940576E+00  7.733500E-01
    9.2250  7.482306E+00  7.821310E-01
    9.2750  7.562413E+00  7.911024E-01
    9.3250  7.243267E+00  7.997881E-01
    9.3750  7.048346E+00  8.083310E-01
    9.4250  7.014578E+00  8.169238E-01
    9.4750  7.910021E+00  8.267167E-01
    9.5250  7.673049E+00  8.363167E-01
    9.5750  6.772040E+00  8.448786E-01
    9.6250  6.774548E+00  8.535333E-01
    9.6750  6.579283E+00  8.620262E-01
    9.7250  6.143039E+00  8.700381E-01
    9.7750  6.026147E+00  8.779786E-01
    9.8250  5.492779E+00  8.852905E-01
    9.8750  5.331065E+00  8.924595E-01
    9.9250  5.219647E+00  8.995500E-01
    9.9750  4.698945E+00  9.059976E-01
   10.0250  4.449472E+00  9.121643E-01
   10.0750  4.490465E+00  9.184500E-01
   10.1250  4.043706E+00  9.241667E-01
   10.1750  3.873985E+00  9.296976E-01
   10.2250  3.851052E+00  9.352500E-01
   10.2750  3.269088E+00  9.400095E-01
   10.3250  2.790504E+00  9.441119E-01
   10.3750  2.511846E+00  9.478405E-01
   10.4250  2.290819E+00  9.512738E-01
   10.4750  2.376000E+00  9.548690E-01
   10.5250  2.015264E+00  9.579476E-01
   10.5750  1.970006E+00  9.609857E-01
   10.6250  1.763393E+00  9.637310E-01
   10.6750  1.634795E+00  9.663000E-01
   10.7250  1.723157E+00  9.690333E-01
   10.7750  1.836581E+00  9.719738E-01
   10.8250  2.134962E+00  9.754238E-01
   10.8750  1.816099E+00  9.783857E-01
   10.9250  1.669324E+00  9.811333E-01
   10.9750  1.827590E+00  9.841690E-01
   11.0250  1.727245E+00  9.870643E-01
   11.0750  1.262649E+00  9.892000E-01
   11.1250  7.798111E-01  9.905310E-01
   11.1750  6.580965E-01  9.916643E-01
   11.2250  9.290405E-01  9.932786E-01
   11.2750  7.170980E-01  9.945357E-01
   11.3250  4.173140E-01  9.952738E-01
   11.3750  3.202478E-01  9.958452E-01
   11.4250  3.478732E-01  9.964714E-01
   11.4750  1.717685E-01  9.967833E-01
   11.5250  1.910791E-01  9.971333E-01
   11.5750  1.572156E-01  9.974238E-01
   11.6250  1.111504E-01  9.976310E-01
   11.6750  1.608673E-01  9.979333E-01
   11.7250  3.956057E-01  9.986833E-01
   11.7750  1.705990E-01  9.990095E-01
   11.8250  4.938959E-02  9.991048E-01
   11.8750  2.693601E-02  9.991571E-01
   11.9250  2.549648E-02  9.992071E-01
   11.9750  3.491602E-02  9.992762E-01
   12.0250  4.417833E-02  9.993643E-01
   12.0750  8.052160E-02  9.995262E-01
   12.1250  8.807964E-02  9.997048E-01
   12.1750  5.241461E-02  9.998119E-01
   12.2250  2.426048E-02  9.998619E-01
   12.2750  1.833390E-02  9.999000E-01
   12.3250  9.092722E-03  9.999190E-01
   12.3750  1.127424E-02  9.999429E-01
   12.4250  2.684085E-02  1.000000E+00
   12.4750  0.000000E+00  1.000000E+00
   12.5250  0.000000E+00  1.000000E+00
   12.5750  0.000000E+00  1.000000E+00
   12.6250  0.000000E+00  1.000000E+00
   12.6750  0.000000E+00  1.000000E+00
   12.7250  0.000000E+00  1.000000E+00
   12.7750  0.000000E+00  1.000000E+00
   12.8250  0.000000E+00  1.000000E+00
   12.8750  0.000000E+00  1.000000E+00
   12.9250  0.000000E+00  1.000000E+00
   12.9750  0.000000E+00  1.000000E+00
   13.0250  0.000000E+00  1.000000E+00
   13.0750  0.000000E+00  1.000000E+00
   13.1250  0.000000E+00  1.000000E+00
   13.1750  0.000000E+00  1.000000E+00
   13.2250  0.000000E+00  1.000000E+00
   13.2750  0.000000E+00  1.000000E+00
   13.3250  0.000000E+00  1.000000E+00
   13.3750  0.000000E+00  1.000000E+00
   13.4250  0.000000E+00  1.000000E+00
   13.4750  0.000000E+00  1.000000E+00
   13.5250  0.000000E+00  1.000000E+00
   13.5750  0.000000E+00  1.000000E+00
   13.6250  0.000000E+00  1.000000E+00
   13.6750  0.000000E+00  1.000000E+00
   13.7250  0.000000E+00  1.000000E+00
   13.7750  0.000000E+00  1.000000E+00
   13.8250  0.000000E+00  1.000000E+00
   13.8750  0.000000E+00  1.000000E+00
   13.9250  0.000000E+00  1.000000E+00
   13.9750  0.000000E+00  1.000000E+00
   14.0250  0.000000E+00  1.000000E+00
   14.0750  0.000000E+00  1.000000E+00
   14.1250  0.000000E+00  1.000000E+00
   14.1750  0.000000E+00  1.000000E+00
   14.2250  0.000000E+00  1.000000E+00
   14.2750  0.000000E+00  1.000000E+00
   14.3250  0.000000E+00  1.000000E+00
   14.3750  0.000000E+00  1.000000E+00
   14.4250  0.000000E+00  1.000000E+00
   14.4750  0.000000E+00  1.000000E+00
   14.5250  0.000000E+00  1.000000E+00
   14.5750  0.000000E+00  1.000000E+00
   14.6250  0.000000E+00  1.000000E+00
   14.6750  0.000000E+00  1.000000E+00
   14.7250  0.000000E+00  1.000000E+00
   14.7750  0.000000E+00  1.000000E+00
   14.8250  0.000000E+00  1.000000E+00
   14.8750  0.000000E+00  1.000000E+00
   14.9250  0.000000E+00  1.000000E+00
   14.9750  0.000000E+00  1.000000E+00
   15.0250  0.000000E+00  1.000000E+00
   15.0750  0.000000E+00  1.000000E+00
   15.1250  0.000000E+00  1.000000E+00
   15.1750  0.000000E+00  1.000000E+00
   15.2250  0.000000E+00  1.000000E+00
   15.2750  0.000000E+00  1.000000E+00
   15.3250  0.000000E+00  1.000000E+00
   15.3750  0.000000E+00  1.000000E+00
   15.4250  0.000000E+00  1.000000E+00
   15.4750  0.000000E+00  1.000000E+00
   15.5250  0.000000E+00  1.000000E+00
   15.5750  0.000000E+00  1.000000E+00
   15.6250  0.000000E+00  1.000000E+00
   15.6750  0.000000E+00  1.000000E+00
   15.7250  0.000000E+00  1.000000E+00
   15.7750  0.000000E+00  1.000000E+00
   15.8250  0.000000E+00  1.000000E+00
   15.8750  0.000000E+00  1.000000E+00
   15.9250  0.000000E+00  1.000000E+00
   15.9750  0.000000E+00  1.000000E+00

g(r)  :HC      OW      

        r      g(r)         n(r)

    2.2750  0.000000E+00  0.000000E+00
    2.3250  0.000000E+00  0.000000E+00
    2.3750  9.259987E-04  8.809524E-05
    2.4250  4.801125E-03  5.642857E-04
    2.4750  1.587837E-02  2.204762E-03
    2.5250  2.898375E-02  5.321429E-03
    2.5750  5.228922E-02  1.116905E-02
    2.6250  8.321854E-02  2.084048E-02
    2.6750  1.280373E-01  3.629286E-02
    2.7250  1.487997E-01  5.492857E-02
    2.7750  1.793988E-01  7.822857E-02
    2.8250  1.927926E-01  1.041786E-01
    2.8750  2.089629E-01  1.333095E-01
    2.9250  2.371411E-01  1.675286E-01
    2.9750  2.485689E-01  2.046333E-01
    3.0250  2.730178E-01  2.467690E-01
    3.0750  2.877707E-01  2.926619E-01
    3.1250  2.903595E-01  3.404857E-01
    3.1750  2.998700E-01  3.914690E-01
    3.2250  3.125919E-01  4.463024E-01
    3.2750  3.172035E-01  5.036833E-01
    3.3250  3.266592E-01  5.645929E-01
    3.3750  3.421121E-01  6.303167E-01
    3.4250  3.455547E-01  6.986833E-01
    3.4750  3.395285E-01  7.678333E-01
    3.5250  3.440530E-01  8.399357E-01
    3.5750  3.478950E-01  9.149262E-01
    3.6250  3.509659E-01  9.927095E-01
    3.6750  3.526235E-01  1.073031E+00
    3.7250  3.594280E-01  1.157145E+00
    3.7750  3.579841E-01  1.243186E+00
    3.8250  3.741694E-01  1.335514E+00
    3.8750  3.749552E-01  1.430471E+00
    3.9250  3.807481E-01  1.529400E+00
    3.9750  3.833005E-01  1.631545E+00
    4.0250  3.933560E-01  1.739024E+00
    4.0750  4.027546E-01  1.851821E+00
    4.1250  3.957299E-01  1.965388E+00
    4.1750  3.989265E-01  2.082664E+00
    4.2250  4.133687E-01  2.207114E+00
    4.2750  4.152038E-01  2.335093E+00
    4.3250  4.253041E-01  2.469269E+00
    4.3750  4.264584E-01  2.606938E+00
    4.4250  4.322467E-01  2.749683E+00
    4.4750  4.369451E-01  2.897260E+00
    4.5250  4.458406E-01  3.051224E+00
    4.5750  4.476284E-01  3.209240E+00
    4.6250  4.487598E-01  3.371138E+00
    4.6750  4.483003E-01  3.536386E+00
    4.7250  4.502447E-01  3.705919E+00
    4.7750  4.561210E-01  3.881319E+00
    4.8250  4.525988E-01  4.059029E+00
    4.8750  4.588187E-01  4.242933E+00
    4.9250  4.604628E-01  4.431302E+00
    4.9750  4.625188E-01  4.624374E+00
    5.0250  4.720169E-01  4.825390E+00
    5.0750  4.763335E-01  5.032302E+00
    5.1250  4.828972E-01  5.246219E+00
    5.1750  4.898839E-01  5.467486E+00
    5.2250  5.075250E-01  5.701171E+00
    5.2750  5.096792E-01  5.940362E+00
    5.3250  5.066698E-01  6.182669E+00
    5.3750  5.143703E-01  6.433300E+00
    5.4250  5.226758E-01  6.692738E+00
    5.4750  5.229970E-01  6.957143E+00
    5.5250  5.268838E-01  7.228400E+00
    5.5750  5.324463E-01  7.507505E+00
    5.6250  5.380097E-01  7.794607E+00
    5.6750  5.429139E-01  8.089500E+00
    5.7250  5.484182E-01  8.392655E+00
    5.7750  5.474882E-01  8.700605E+00
    5.8250  5.627022E-01  9.022617E+00
    5.8750  5.668383E-01  9.352588E+00
    5.9250  5.761841E-01  9.693733E+00
    5.9750  5.710219E-01  1.003755E+01
    6.0250  5.755958E-01  1.038995E+01
    6.0750  5.764957E-01  1.074878E+01
    6.1250  5.796002E-01  1.111551E+01
    6.1750  5.855501E-01  1.149207E+01
    6.2250  5.938323E-01  1.188017E+01
    6.2750  5.929861E-01  1.227397E+01
    6.3250  5.959177E-01  1.267605E+01
    6.3750  6.027488E-01  1.308919E+01
    6.4250  6.077639E-01  1.351232E+01
    6.4750  6.010504E-01  1.393733E+01
    6.5250  6.013011E-01  1.436910E+01
    6.5750  6.067681E-01  1.481150E+01
    6.6250  6.160389E-01  1.526751E+01
    6.6750  6.144677E-01  1.572926E+01
    6.7250  6.185593E-01  1.620107E+01
    6.7750  6.180194E-01  1.667950E+01
    6.8250  6.172651E-01  1.716443E+01
    6.8750  6.168437E-01  1.765615E+01
    6.9250  6.150306E-01  1.815359E+01
    6.9750  6.210088E-01  1.866314E+01
    7.0250  6.274874E-01  1.918541E+01
    7.0750  6.319136E-01  1.971889E+01
    7.1250  6.269662E-01  2.025569E+01
    7.1750  6.348299E-01  2.080688E+01
    7.2250  6.349307E-01  2.136587E+01
    7.2750  6.363425E-01  2.193388E+01
    7.3250  6.313343E-01  2.250519E+01
    7.3750  6.345243E-01  2.308726E+01
    7.4250  6.380477E-01  2.368052E+01
    7.4750  6.443006E-01  2.428769E+01
    7.5250  6.421767E-01  2.490099E+01
    7.5750  6.460802E-01  2.552623E+01
    7.6250  6.475245E-01  2.616118E+01
    7.6750  6.470671E-01  2.680402E+01
    7.7250  6.498745E-01  2.745810E+01
    7.7750  6.541607E-01  2.812504E+01
    7.8250  6.565047E-01  2.880300E+01
    7.8750  6.557068E-01  2.948882E+01
    7.9250  6.590440E-01  3.018691E+01
    7.9750  6.594606E-01  3.089429E+01
    8.0250  6.637549E-01  3.161523E+01
    8.0750  6.606266E-01  3.234174E+01
    8.1250  6.613528E-01  3.307808E+01
    8.1750  6.608246E-01  3.382292E+01
    8.2250  6.651978E-01  3.458189E+01
    8.2750  6.730973E-01  3.535923E+01
    8.3250  6.869397E-01  3.616218E+01
    8.3750  6.927242E-01  3.698164E+01
    8.4250  6.901827E-01  3.780788E+01
    8.4750  6.957409E-01  3.865068E+01
    8.5250  7.023026E-01  3.951150E+01
    8.5750  7.093229E-01  4.039116E+01
    8.6250  7.149002E-01  4.128810E+01
    8.6750  7.166891E-01  4.219774E+01
    8.7250  7.222197E-01  4.312500E+01
    8.7750  7.265257E-01  4.406850E+01
    8.8250  7.246627E-01  4.502035E+01
    8.8750  7.289663E-01  4.598872E+01
    8.9250  7.288961E-01  4.696795E+01
    8.9750  7.294183E-01  4.795888E+01
    9.0250  7.346385E-01  4.896806E+01
    9.0750  7.390826E-01  4.999463E+01
    9.1250  7.394927E-01  5.103311E+01
    9.1750  7.521678E-01  5.210100E+01
    9.2250  7.542617E-01  5.318357E+01
    9.2750  7.540958E-01  5.427766E+01
    9.3250  7.602509E-01  5.539261E+01
    9.3750  7.610055E-01  5.652066E+01
    9.4250  7.618667E-01  5.766207E+01
    9.4750  7.662636E-01  5.882228E+01
    9.5250  7.713278E-01  6.000252E+01
    9.5750  7.706952E-01  6.119420E+01
    9.6250  7.746575E-01  6.240455E+01
    9.6750  7.734853E-01  6.362565E+01
    9.7250  7.729261E-01  6.485852E+01
    9.7750  7.794342E-01  6.611459E+01
    9.8250  7.853561E-01  6.739318E+01
    9.8750  7.849093E-01  6.868408E+01
    9.9250  7.924759E-01  7.000066E+01
    9.9750  7.959528E-01  7.133637E+01
   10.0250  8.034494E-01  7.269822E+01
   10.0750  8.015514E-01  7.407043E+01
   10.1250  8.033973E-01  7.545949E+01
   10.1750  8.093927E-01  7.687276E+01
   10.2250  8.148451E-01  7.830958E+01
   10.2750  8.175994E-01  7.976539E+01
   10.3250  8.249460E-01  8.124861E+01
   10.3750  8.247676E-01  8.274590E+01
   10.4250  8.241611E-01  8.425655E+01
   10.4750  8.244961E-01  8.578235E+01
   10.5250  8.252667E-01  8.732418E+01
   10.5750  8.281155E-01  8.888608E+01
   10.6250  8.266937E-01  9.046007E+01
   10.6750  8.251458E-01  9.204593E+01
   10.7250  8.259864E-01  9.364832E+01
   10.7750  8.333688E-01  9.528013E+01
   10.8250  8.344381E-01  9.692924E+01
   10.8750  8.430075E-01  9.861071E+01
   10.9250  8.466861E-01  1.003151E+02
   10.9750  8.460212E-01  1.020337E+02
   11.0250  8.545914E-01  1.037857E+02
   11.0750  8.598753E-01  1.055645E+02
   11.1250  8.652227E-01  1.073705E+02
   11.1750  8.709354E-01  1.092048E+02
   11.2250  8.719431E-01  1.110578E+02
   11.2750  8.713629E-01  1.129260E+02
   11.3250  8.745740E-01  1.148178E+02
   11.3750  8.819808E-01  1.167425E+02
   11.4250  8.824663E-01  1.186852E+02
   11.4750  8.881707E-01  1.206576E+02
   11.5250  8.925368E-01  1.226571E+02
   11.5750  8.916778E-01  1.246720E+02
   11.6250  8.896608E-01  1.266997E+02
   11.6750  8.892375E-01  1.287439E+02
   11.7250  8.911858E-01  1.308102E+02
   11.7750  8.974197E-01  1.329088E+02
   11.8250  9.043242E-01  1.350414E+02
   11.8750  8.992267E-01  1.371801E+02
   11.9250  9.059059E-01  1.393528E+02
   11.9750  9.076412E-01  1.415479E+02
   12.0250  9.119446E-01  1.437719E+02
   12.0750  9.089276E-01  1.460071E+02
   12.1250  9.082905E-01  1.482592E+02
   12.1750  9.151714E-01  1.505471E+02
   12.2250  9.168029E-01  1.528579E+02
   12.2750  9.144696E-01  1.551818E+02
   12.3250  9.173362E-01  1.575320E+02
   12.3750  9.186544E-01  1.599047E+02
   12.4250  9.197188E-01  1.622994E+02
   12.4750  9.240023E-01  1.647246E+02
   12.5250  9.235132E-01  1.671680E+02
   12.5750  9.276665E-01  1.696421E+02
   12.6250  9.306127E-01  1.721437E+02
   12.6750  9.332341E-01  1.746724E+02
   12.7250  9.351378E-01  1.772262E+02
   12.7750  9.349902E-01  1.797997E+02
   12.8250  9.406451E-01  1.824091E+02
   12.8750  9.428142E-01  1.850450E+02
   12.9250  9.403059E-01  1.876942E+02
   12.9750  9.427658E-01  1.903711E+02
   13.0250  9.450080E-01  1.930750E+02
   13.0750  9.474526E-01  1.958067E+02
   13.1250  9.494557E-01  1.985652E+02
   13.1750  9.493670E-01  2.013445E+02
   13.2250  9.524457E-01  2.041540E+02
   13.2750  9.546460E-01  2.069913E+02
   13.3250  9.538742E-01  2.098478E+02
   13.3750  9.550238E-01  2.127292E+02
   13.4250  9.581475E-01  2.156416E+02
   13.4750  9.639907E-01  2.185937E+02
   13.5250  9.677033E-01  2.215792E+02
   13.5750  9.683306E-01  2.245888E+02
   13.6250  9.660184E-01  2.276133E+02
   13.6750  9.654429E-01  2.306582E+02
   13.7250  9.670136E-01  2.337305E+02
   13.7750  9.699148E-01  2.368345E+02
   13.8250  9.659867E-01  2.399483E+02
   13.8750  9.725249E-01  2.431060E+02
   13.9250  9.750020E-01  2.462946E+02
   13.9750  9.762696E-01  2.495102E+02
   14.0250  9.769352E-01  2.527512E+02
   14.0750  9.789884E-01  2.560221E+02
   14.1250  9.822547E-01  2.593273E+02
   14.1750  9.835353E-01  2.626603E+02
   14.2250  9.862123E-01  2.660260E+02
   14.2750  9.875086E-01  2.694199E+02
   14.3250  9.938138E-01  2.728594E+02
   14.3750  9.946876E-01  2.763259E+02
   14.4250  9.935641E-01  2.798127E+02
   14.4750  9.978582E-01  2.833389E+02
   14.5250  1.001387E+00  2.869021E+02
   14.5750  1.005585E+00  2.905048E+02
   14.6250  1.009383E+00  2.941460E+02
   14.6750  1.011717E+00  2.978207E+02
   14.7250  1.008926E+00  3.015102E+02
   14.7750  1.012758E+00  3.052389E+02
   14.8250  1.015065E+00  3.090015E+02
   14.8750  1.016724E+00  3.127956E+02
   14.9250  1.020711E+00  3.166303E+02
   14.9750  1.016172E+00  3.204736E+02
   15.0250  1.021833E+00  3.243641E+02
   15.0750  1.025887E+00  3.282961E+02
   15.1250  1.024711E+00  3.322497E+02
   15.1750  1.025030E+00  3.362307E+02
   15.2250  1.024886E+00  3.402374E+02
   15.2750  1.023608E+00  3.442655E+02
   15.3250  1.023535E+00  3.483197E+02
   15.3750  1.024087E+00  3.524025E+02
   15.4250  1.026567E+00  3.565220E+02
   15.4750  1.028162E+00  3.606746E+02
   15.5250  1.029050E+00  3.648577E+02
   15.5750  1.031996E+00  3.690798E+02
   15.6250  1.036356E+00  3.733471E+02
   15.6750  1.038813E+00  3.776519E+02
   15.7250  1.041125E+00  3.819938E+02
   15.7750  1.043771E+00  3.863745E+02
   15.8250  1.041123E+00  3.907718E+02
   15.8750  1.042405E+00  3.952024E+02
   15.9250  1.043354E+00  3.996651E+02
   15.9750  1.044182E+00  4.041593E+02

g(r)  :HC      HW      

        r      g(r)         n(r)

    1.4250  0.000000E+00  0.000000E+00
    1.4750  0.000000E+00  0.000000E+00
    1.5250  3.034893E-04  2.380952E-05
    1.5750  5.121496E-04  6.666667E-05
    1.6250  9.087823E-04  1.476190E-04
    1.6750  1.459110E-03  2.857143E-04
    1.7250  1.589235E-03  4.452381E-04
    1.7750  3.987645E-03  8.690476E-04
    1.8250  4.937703E-03  1.423810E-03
    1.8750  7.508709E-03  2.314286E-03
    1.9250  8.399910E-03  3.364286E-03
    1.9750  1.277525E-02  5.045238E-03
    2.0250  1.702339E-02  7.400000E-03
    2.0750  2.132760E-02  1.049762E-02
    2.1250  2.922979E-02  1.495000E-02
    2.1750  3.657022E-02  2.078571E-02
    2.2250  4.478283E-02  2.826429E-02
    2.2750  5.452359E-02  3.778333E-02
    2.3250  6.553548E-02  4.973333E-02
    2.3750  8.108746E-02  6.516190E-02
    2.4250  9.002110E-02  8.301905E-02
    2.4750  1.042926E-01  1.045690E-01
    2.5250  1.236183E-01  1.311548E-01
    2.5750  1.328308E-01  1.608643E-01
    2.6250  1.407565E-01  1.935810E-01
    2.6750  1.521158E-01  2.302976E-01
    2.7250  1.639991E-01  2.713762E-01
    2.7750  1.739999E-01  3.165738E-01
    2.8250  1.820819E-01  3.655905E-01
    2.8750  1.947019E-01  4.198762E-01
    2.9250  2.031589E-01  4.785071E-01
    2.9750  2.135022E-01  5.422476E-01
    3.0250  2.264658E-01  6.121500E-01
    3.0750  2.336056E-01  6.866595E-01
    3.1250  2.509168E-01  7.693143E-01
    3.1750  2.607285E-01  8.579714E-01
    3.2250  2.692457E-01  9.524310E-01
    3.2750  2.791061E-01  1.053410E+00
    3.3250  2.887350E-01  1.161086E+00
    3.3750  2.963489E-01  1.274950E+00
    3.4250  3.068522E-01  1.396369E+00
    3.4750  3.185031E-01  1.526105E+00
    3.5250  3.298059E-01  1.664338E+00
    3.5750  3.346291E-01  1.808600E+00
    3.6250  3.428763E-01  1.960581E+00
    3.6750  3.536165E-01  2.121676E+00
    3.7250  3.624802E-01  2.291333E+00
    3.7750  3.647155E-01  2.466650E+00
    3.8250  3.701216E-01  2.649310E+00
    3.8750  3.857154E-01  2.844674E+00
    3.9250  3.881294E-01  3.046367E+00
    3.9750  4.009998E-01  3.260090E+00
    4.0250  4.040306E-01  3.480881E+00
    4.0750  4.056748E-01  3.708112E+00
    4.1250  4.097636E-01  3.943300E+00
    4.1750  4.127880E-01  4.186002E+00
    4.2250  4.174179E-01  4.437340E+00
    4.2750  4.227198E-01  4.697931E+00
    4.3250  4.281682E-01  4.968090E+00
    4.3750  4.345899E-01  5.248679E+00
    4.4250  4.352027E-01  5.536121E+00
    4.4750  4.367513E-01  5.831143E+00
    4.5250  4.326822E-01  6.129983E+00
    4.5750  4.359262E-01  6.437755E+00
    4.6250  4.373490E-01  6.753317E+00
    4.6750  4.411628E-01  7.078550E+00
    4.7250  4.453126E-01  7.413902E+00
    4.7750  4.462857E-01  7.757138E+00
    4.8250  4.548030E-01  8.114288E+00
    4.8750  4.575446E-01  8.481076E+00
    4.9250  4.588855E-01  8.856524E+00
    4.9750  4.627042E-01  9.242821E+00
    5.0250  4.644386E-01  9.638400E+00
    5.0750  4.721595E-01  1.004860E+01
    5.1250  4.804946E-01  1.047430E+01
    5.1750  4.842329E-01  1.091173E+01
    5.2250  4.889016E-01  1.136195E+01
    5.2750  4.954355E-01  1.182696E+01
    5.3250  5.011759E-01  1.230632E+01
    5.3750  5.067377E-01  1.280015E+01
    5.4250  5.206876E-01  1.331705E+01
    5.4750  5.247325E-01  1.384761E+01
    5.5250  5.303917E-01  1.439374E+01
    5.5750  5.306135E-01  1.495003E+01
    5.6250  5.302574E-01  1.551596E+01
    5.6750  5.400778E-01  1.610266E+01
    5.7250  5.466932E-01  1.670707E+01
    5.7750  5.561721E-01  1.733274E+01
    5.8250  5.603244E-01  1.797404E+01
    5.8750  5.603596E-01  1.862644E+01
    5.9250  5.588219E-01  1.928817E+01
    5.9750  5.661502E-01  1.996994E+01
    6.0250  5.758699E-01  2.067507E+01
    6.0750  5.777408E-01  2.139428E+01
    6.1250  5.828063E-01  2.213179E+01
    6.1750  5.878363E-01  2.288786E+01
    6.2250  5.904333E-01  2.365962E+01
    6.2750  5.885798E-01  2.444136E+01
    6.3250  5.920501E-01  2.524030E+01
    6.3750  5.931754E-01  2.605345E+01
    6.4250  5.921285E-01  2.687796E+01
    6.4750  5.925600E-01  2.771595E+01
    6.5250  5.943379E-01  2.856950E+01
    6.5750  5.995169E-01  2.944372E+01
    6.6250  5.987809E-01  3.033021E+01
    6.6750  6.048182E-01  3.123920E+01
    6.7250  6.090637E-01  3.216833E+01
    6.7750  6.075285E-01  3.310895E+01
    6.8250  6.116053E-01  3.406992E+01
    6.8750  6.141242E-01  3.504903E+01
    6.9250  6.141033E-01  3.604240E+01
    6.9750  6.154867E-01  3.705244E+01
    7.0250  6.131057E-01  3.807305E+01
    7.0750  6.151609E-01  3.911170E+01
    7.1250  6.205619E-01  4.017434E+01
    7.1750  6.194020E-01  4.124993E+01
    7.2250  6.204134E-01  4.234235E+01
    7.2750  6.207504E-01  4.345053E+01
    7.3250  6.237699E-01  4.457947E+01
    7.3750  6.311319E-01  4.573738E+01
    7.4250  6.337086E-01  4.691584E+01
    7.4750  6.345986E-01  4.811189E+01
    7.5250  6.358031E-01  4.932630E+01
    7.5750  6.401878E-01  5.056540E+01
    7.6250  6.418063E-01  5.182407E+01
    7.6750  6.429222E-01  5.310153E+01
    7.7250  6.447209E-01  5.439930E+01
    7.7750  6.495356E-01  5.572375E+01
    7.8250  6.585371E-01  5.708387E+01
    7.8750  6.593251E-01  5.846308E+01
    7.9250  6.614076E-01  5.986428E+01
    7.9750  6.633717E-01  6.128742E+01
    8.0250  6.659996E-01  6.273417E+01
    8.0750  6.705349E-01  6.420898E+01
    8.1250  6.730449E-01  6.570770E+01
    8.1750  6.753188E-01  6.723005E+01
    8.2250  6.796780E-01  6.878103E+01
    8.2750  6.860300E-01  7.036559E+01
    8.3250  6.900359E-01  7.197873E+01
    8.3750  6.924263E-01  7.361695E+01
    8.4250  6.907884E-01  7.527087E+01
    8.4750  6.950392E-01  7.695478E+01
    8.5250  6.974492E-01  7.866453E+01
    8.5750  6.981010E-01  8.039600E+01
    8.6250  7.062153E-01  8.216809E+01
    8.6750  7.104095E-01  8.397143E+01
    8.7250  7.119979E-01  8.579970E+01
    8.7750  7.139028E-01  8.765393E+01
    8.8250  7.143639E-01  8.953056E+01
    8.8750  7.179570E-01  9.143806E+01
    8.9250  7.237059E-01  9.338256E+01
    8.9750  7.275956E-01  9.535948E+01
    9.0250  7.308306E-01  9.736738E+01
    9.0750  7.352000E-01  9.940972E+01
    9.1250  7.378075E-01  1.014820E+02
    9.1750  7.423949E-01  1.035900E+02
    9.2250  7.453501E-01  1.057295E+02
    9.2750  7.518927E-01  1.079113E+02
    9.3250  7.550606E-01  1.101260E+02
    9.3750  7.603390E-01  1.123801E+02
    9.4250  7.649355E-01  1.146721E+02
    9.4750  7.634991E-01  1.169842E+02
    9.5250  7.695353E-01  1.193392E+02
    9.5750  7.690876E-01  1.217176E+02
    9.6250  7.743627E-01  1.241373E+02
    9.6750  7.742198E-01  1.265819E+02
    9.7250  7.787447E-01  1.290662E+02
    9.7750  7.799734E-01  1.315801E+02
    9.8250  7.828553E-01  1.341291E+02
    9.8750  7.803389E-01  1.366959E+02
    9.9250  7.815897E-01  1.392928E+02
    9.9750  7.878925E-01  1.419372E+02
   10.0250  7.900774E-01  1.446156E+02
   10.0750  7.935850E-01  1.473327E+02
   10.1250  7.978194E-01  1.500915E+02
   10.1750  8.040263E-01  1.528994E+02
   10.2250  8.070783E-01  1.557456E+02
   10.2750  8.077658E-01  1.586222E+02
   10.3250  8.089166E-01  1.615310E+02
   10.3750  8.145811E-01  1.644886E+02
   10.4250  8.142155E-01  1.674734E+02
   10.4750  8.199563E-01  1.705082E+02
   10.5250  8.187768E-01  1.735677E+02
   10.5750  8.254165E-01  1.766813E+02
   10.6250  8.298007E-01  1.798411E+02
   10.6750  8.343894E-01  1.830483E+02
   10.7250  8.361836E-01  1.862927E+02
   10.7750  8.405703E-01  1.895845E+02
   10.8250  8.455152E-01  1.929265E+02
   10.8750  8.466828E-01  1.963041E+02
   10.9250  8.502830E-01  1.997273E+02
   10.9750  8.528671E-01  2.031925E+02
   11.0250  8.556866E-01  2.067008E+02
   11.0750  8.583929E-01  2.102522E+02
   11.1250  8.626677E-01  2.138537E+02
   11.1750  8.621562E-01  2.174854E+02
   11.2250  8.673141E-01  2.211716E+02
   11.2750  8.692258E-01  2.248989E+02
   11.3250  8.705559E-01  2.286651E+02
   11.3750  8.743925E-01  2.324813E+02
   11.4250  8.773111E-01  2.363441E+02
   11.4750  8.810560E-01  2.402573E+02
   11.5250  8.804783E-01  2.442022E+02
   11.5750  8.838431E-01  2.481965E+02
   11.6250  8.886073E-01  2.522472E+02
   11.6750  8.897910E-01  2.563382E+02
   11.7250  8.884537E-01  2.604581E+02
   11.7750  8.910575E-01  2.646254E+02
   11.8250  8.943226E-01  2.688436E+02
   11.8750  9.017495E-01  2.731329E+02
   11.9250  9.061134E-01  2.774793E+02
   11.9750  9.088369E-01  2.818754E+02
   12.0250  9.092110E-01  2.863101E+02
   12.0750  9.130203E-01  2.908005E+02
   12.1250  9.172497E-01  2.953491E+02
   12.1750  9.161252E-01  2.999297E+02
   12.2250  9.152731E-01  3.045437E+02
   12.2750  9.145066E-01  3.091916E+02
   12.3250  9.164008E-01  3.138872E+02
   12.3750  9.205977E-01  3.186426E+02
   12.4250  9.221457E-01  3.234446E+02
   12.4750  9.246128E-01  3.282983E+02
   12.5250  9.242498E-01  3.331890E+02
   12.5750  9.274014E-01  3.381357E+02
   12.6250  9.287425E-01  3.431290E+02
   12.6750  9.305192E-01  3.481715E+02
   12.7250  9.327149E-01  3.532660E+02
   12.7750  9.348825E-01  3.584124E+02
   12.8250  9.387684E-01  3.636208E+02
   12.8750  9.401251E-01  3.688774E+02
   12.9250  9.412486E-01  3.741813E+02
   12.9750  9.443167E-01  3.795438E+02
   13.0250  9.467929E-01  3.849618E+02
   13.0750  9.478283E-01  3.904274E+02
   13.1250  9.477568E-01  3.959346E+02
   13.1750  9.498001E-01  4.014957E+02
   13.2250  9.513596E-01  4.071083E+02
   13.2750  9.548371E-01  4.127841E+02
   13.3250  9.563831E-01  4.185120E+02
   13.3750  9.587458E-01  4.242972E+02
   13.4250  9.598163E-01  4.301323E+02
   13.4750  9.625827E-01  4.360279E+02
   13.5250  9.632190E-01  4.419712E+02
   13.5750  9.652180E-01  4.479709E+02
   13.6250  9.649165E-01  4.540131E+02
   13.6750  9.675064E-01  4.601160E+02
   13.7250  9.680695E-01  4.662672E+02
   13.7750  9.697742E-01  4.724743E+02
   13.8250  9.711242E-01  4.787351E+02
   13.8750  9.727603E-01  4.850520E+02
   13.9250  9.769812E-01  4.914421E+02
   13.9750  9.804151E-01  4.979007E+02
   14.0250  9.804825E-01  5.044061E+02
   14.0750  9.852167E-01  5.109896E+02
   14.1250  9.865819E-01  5.176292E+02
   14.1750  9.885318E-01  5.243291E+02
   14.2250  9.926304E-01  5.311043E+02
   14.2750  9.963146E-01  5.379525E+02
   14.3250  9.993281E-01  5.448696E+02
   14.3750  1.002037E+00  5.518540E+02
   14.4250  1.003443E+00  5.588969E+02
   14.4750  1.004793E+00  5.659983E+02
   14.5250  1.006730E+00  5.731626E+02
   14.5750  1.003943E+00  5.803564E+02
   14.6250  1.004664E+00  5.876048E+02
   14.6750  1.003950E+00  5.948976E+02
   14.7250  1.006121E+00  6.022561E+02
   14.7750  1.006945E+00  6.096708E+02
   14.8250  1.008161E+00  6.171447E+02
   14.8750  1.010550E+00  6.246870E+02
   14.9250  1.012618E+00  6.322955E+02
   14.9750  1.014346E+00  6.399682E+02
   15.0250  1.015211E+00  6.476989E+02
   15.0750  1.017057E+00  6.554952E+02
   15.1250  1.018145E+00  6.633517E+02
   15.1750  1.016555E+00  6.712479E+02
   15.2250  1.022904E+00  6.792458E+02
   15.2750  1.024122E+00  6.873060E+02
   15.3250  1.023422E+00  6.954134E+02
   15.3750  1.026731E+00  7.036003E+02
   15.4250  1.030572E+00  7.118713E+02
   15.4750  1.030916E+00  7.201987E+02
   15.5250  1.033779E+00  7.286034E+02
   15.5750  1.033165E+00  7.370573E+02
   15.6250  1.034637E+00  7.455776E+02
   15.6750  1.035245E+00  7.541576E+02
   15.7250  1.036485E+00  7.628028E+02
   15.7750  1.037094E+00  7.715081E+02
   15.8250  1.037650E+00  7.802735E+02
   15.8750  1.040498E+00  7.891184E+02
   15.9250  1.040535E+00  7.980196E+02
   15.9750  1.040049E+00  8.069725E+02

g(r)  :N       N       

        r      g(r)         n(r)

    3.6250  0.000000E+00  0.000000E+00
    3.6750  0.000000E+00  0.000000E+00
    3.7250  8.709984E-01  1.000000E-03
    3.7750  3.053083E+00  4.600000E-03
    3.8250  5.396873E+00  1.113333E-02
    3.8750  5.473132E+00  1.793333E-02
    3.9250  1.312725E+01  3.466667E-02
    3.9750  1.152428E+01  4.973333E-02
    4.0250  2.039068E+01  7.706667E-02
    4.0750  2.688031E+01  1.140000E-01
    4.1250  3.385618E+01  1.616667E-01
    4.1750  4.700975E+01  2.294667E-01
    4.2250  5.127492E+01  3.052000E-01
    4.2750  4.562978E+01  3.742000E-01
    4.3250  6.336082E+01  4.722667E-01
    4.3750  6.343626E+01  5.727333E-01
    4.4250  6.044714E+01  6.706667E-01
    4.4750  5.926487E+01  7.688667E-01
    4.5250  6.575368E+01  8.802667E-01
    4.5750  4.399921E+01  9.564667E-01
    4.6250  4.776136E+01  1.041000E+00
    4.6750  4.158406E+01  1.116200E+00
    4.7250  4.363187E+01  1.196800E+00
    4.7750  4.364167E+01  1.279133E+00
    4.8250  4.166901E+01  1.359400E+00
    4.8750  4.302231E+01  1.444000E+00
    4.9250  5.527418E+01  1.554933E+00
    4.9750  4.980659E+01  1.656933E+00
    5.0250  3.050474E+01  1.720667E+00
    5.0750  2.318077E+01  1.770067E+00
    5.1250  2.073675E+01  1.815133E+00
    5.1750  1.943541E+01  1.858200E+00
    5.2250  2.532192E+01  1.915400E+00
    5.2750  1.696815E+01  1.954467E+00
    5.3250  9.121112E+00  1.975867E+00
    5.3750  5.438257E+00  1.988867E+00
    5.4250  4.243403E+00  1.999200E+00
    5.4750  4.381285E+00  2.010067E+00
    5.5250  2.929818E+00  2.017467E+00
    5.5750  1.373942E+00  2.021000E+00
    5.6250  3.055755E-01  2.021800E+00
    5.6750  8.756260E-01  2.024133E+00
    5.7250  1.573299E+00  2.028400E+00
    5.7750  6.039743E-01  2.030067E+00
    5.8250  7.123803E-01  2.032067E+00
    5.8750  1.213864E+00  2.035533E+00
    5.9250  2.960708E+00  2.044133E+00
    5.9750  3.994662E+00  2.055933E+00
    6.0250  1.309545E+00  2.059867E+00
    6.0750  2.357838E+00  2.067067E+00
    6.1250  3.608111E+00  2.078267E+00
    6.1750  4.775483E+00  2.093333E+00
    6.2250  5.218886E+00  2.110067E+00
    6.2750  6.097779E+00  2.129933E+00
    6.3250  5.719791E+00  2.148867E+00
    6.3750  3.766831E+00  2.161533E+00
    6.4250  5.035660E+00  2.178733E+00
    6.4750  3.843558E+00  2.192067E+00
    6.5250  4.182291E+00  2.206800E+00
    6.5750  5.796315E+00  2.227533E+00
    6.6250  7.287891E+00  2.254000E+00
    6.6750  6.347281E+00  2.277400E+00
    6.7250  8.640529E+00  2.309733E+00
    6.7750  6.775665E+00  2.335467E+00
    6.8250  7.316751E+00  2.363667E+00
    6.8750  9.392678E+00  2.400400E+00
    6.9250  7.879825E+00  2.431667E+00
    6.9750  7.816942E+00  2.463133E+00
    7.0250  8.261163E+00  2.496867E+00
    7.0750  7.645820E+00  2.528533E+00
    7.1250  4.793145E+00  2.548667E+00
    7.1750  4.601368E+00  2.568267E+00
    7.2250  4.337246E+00  2.587000E+00
    7.2750  6.211230E+00  2.614200E+00
    7.3250  6.216824E+00  2.641800E+00
    7.3750  8.073390E+00  2.678133E+00
    7.4250  7.117370E+00  2.710600E+00
    7.4750  8.666338E+00  2.750667E+00
    7.5250  1.062897E+01  2.800467E+00
    7.5750  8.607535E+00  2.841333E+00
    7.6250  5.612533E+00  2.868333E+00
    7.6750  7.331480E+00  2.904067E+00
    7.7250  6.872337E+00  2.938000E+00
    7.7750  4.558364E+00  2.960800E+00
    7.8250  6.526745E+00  2.993867E+00
    7.8750  1.000399E+01  3.045200E+00
    7.9250  8.094957E+00  3.087267E+00
    7.9750  8.044445E+00  3.129600E+00
    8.0250  5.992792E+00  3.161533E+00
    8.0750  8.229490E+00  3.205933E+00
    8.1250  8.873020E+00  3.254400E+00
    8.1750  9.235003E+00  3.305467E+00
    8.2250  7.979705E+00  3.350133E+00
    8.2750  8.766053E+00  3.399800E+00
    8.3250  1.019565E+01  3.458267E+00
    8.3750  1.102771E+01  3.522267E+00
    8.4250  9.342087E+00  3.577133E+00
    8.4750  1.026421E+01  3.638133E+00
    8.5250  1.087587E+01  3.703533E+00
    8.5750  1.002621E+01  3.764533E+00
    8.6250  1.278050E+01  3.843200E+00
    8.6750  1.380060E+01  3.929133E+00
    8.7250  1.270090E+01  4.009133E+00
    8.7750  1.156251E+01  4.082800E+00
    8.8250  8.079893E+00  4.134867E+00
    8.8750  9.676949E+00  4.197933E+00
    8.9250  1.312932E+01  4.284467E+00
    8.9750  1.035274E+01  4.353467E+00
    9.0250  9.160109E+00  4.415200E+00
    9.0750  5.830920E+00  4.454933E+00
    9.1250  7.131581E+00  4.504067E+00
    9.1750  7.331633E+00  4.555133E+00
    9.2250  6.902062E+00  4.603733E+00
    9.2750  7.061999E+00  4.654000E+00
    9.3250  7.727740E+00  4.709600E+00
    9.3750  7.673033E+00  4.765400E+00
    9.4250  5.759638E+00  4.807733E+00
    9.4750  5.923381E+00  4.851733E+00
    9.5250  4.049664E+00  4.882133E+00
    9.5750  2.539829E+00  4.901400E+00
    9.6250  2.617877E+00  4.921467E+00
    9.6750  2.943800E+00  4.944267E+00
    9.7250  2.266139E+00  4.962000E+00
    9.7750  1.728640E+00  4.975667E+00
    9.8250  1.252017E+00  4.985667E+00
    9.8750  1.189796E+00  4.995267E+00
    9.9250  1.963064E-01  4.996867E+00
    9.9750  8.907404E-02  4.997600E+00
   10.0250  8.017067E-02  4.998267E+00
   10.0750  8.731460E-02  4.999000E+00
   10.1250  1.178923E-01  5.000000E+00
   10.1750  0.000000E+00  5.000000E+00
   10.2250  0.000000E+00  5.000000E+00
   10.2750  0.000000E+00  5.000000E+00
   10.3250  0.000000E+00  5.000000E+00
   10.3750  0.000000E+00  5.000000E+00
   10.4250  0.000000E+00  5.000000E+00
   10.4750  0.000000E+00  5.000000E+00
   10.5250  0.000000E+00  5.000000E+00
   10.5750  0.000000E+00  5.000000E+00
   10.6250  0.000000E+00  5.000000E+00
   10.6750  0.000000E+00  5.000000E+00
   10.7250  0.000000E+00  5.000000E+00
   10.7750  0.000000E+00  5.000000E+00
   10.8250  0.000000E+00  5.000000E+00
   10.8750  0.000000E+00  5.000000E+00
   10.9250  0.000000E+00  5.000000E+00
   10.9750  0.000000E+00  5.000000E+00
   11.0250  0.000000E+00  5.000000E+00
   11.0750  0.000000E+00  5.000000E+00
   11.1250  0.000000E+00  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :N       OS      

        r      g(r)         n(r)

    4.5750  0.000000E+00  0.000000E+00
    4.6250  0.000000E+00  0.000000E+00
    4.6750  2.027592E-01  3.666667E-04
    4.7250  6.676506E-01  1.600000E-03
    4.7750  6.184043E-01  2.766667E-03
    4.8250  5.018277E-01  3.733333E-03
    4.8750  4.915867E-01  4.700000E-03
    4.9250  7.972237E-01  6.300000E-03
    4.9750  1.106813E+00  8.566667E-03
    5.0250  8.136725E-01  1.026667E-02
    5.0750  6.725863E-01  1.170000E-02
    5.1250  6.135133E-01  1.303333E-02
    5.1750  1.053002E+00  1.536667E-02
    5.2250  2.656145E+00  2.136667E-02
    5.2750  2.634986E+00  2.743333E-02
    5.3250  2.486284E+00  3.326667E-02
    5.3750  2.565742E+00  3.940000E-02
    5.4250  3.025136E+00  4.676667E-02
    5.4750  4.152813E+00  5.706667E-02
    5.5250  6.691070E+00  7.396667E-02
    5.5750  7.764068E+00  9.393333E-02
    5.6250  8.619775E+00  1.165000E-01
    5.6750  9.006439E+00  1.405000E-01
    5.7250  1.044769E+01  1.688333E-01
    5.7750  1.292505E+01  2.045000E-01
    5.8250  1.423573E+01  2.444667E-01
    5.8750  1.630547E+01  2.910333E-01
    5.9250  1.993314E+01  3.489333E-01
    5.9750  2.288468E+01  4.165333E-01
    6.0250  2.048662E+01  4.780667E-01
    6.0750  2.231213E+01  5.462000E-01
    6.1250  2.026341E+01  6.091000E-01
    6.1750  1.950341E+01  6.706333E-01
    6.2250  2.193596E+01  7.409667E-01
    6.2750  1.950062E+01  8.045000E-01
    6.3250  1.583013E+01  8.569000E-01
    6.3750  1.636589E+01  9.119333E-01
    6.4250  1.415060E+01  9.602667E-01
    6.4750  1.512440E+01  1.012733E+00
    6.5250  1.279289E+01  1.057800E+00
    6.5750  1.177901E+01  1.099933E+00
    6.6250  1.272168E+01  1.146133E+00
    6.6750  1.475607E+01  1.200533E+00
    6.7250  1.374468E+01  1.251967E+00
    6.7750  1.098851E+01  1.293700E+00
    6.8250  1.047351E+01  1.334067E+00
    6.8750  9.239259E+00  1.370200E+00
    6.9250  9.694369E+00  1.408667E+00
    6.9750  8.628446E+00  1.443400E+00
    7.0250  7.983614E+00  1.476000E+00
    7.0750  7.653868E+00  1.507700E+00
    7.1250  4.832824E+00  1.528000E+00
    7.1750  3.920553E+00  1.544700E+00
    7.2250  3.905065E+00  1.561567E+00
    7.2750  4.194103E+00  1.579933E+00
    7.3250  3.536382E+00  1.595633E+00
    7.3750  3.133068E+00  1.609733E+00
    7.4250  3.712140E+00  1.626667E+00
    7.4750  4.816234E+00  1.648933E+00
    7.5250  4.425180E+00  1.669667E+00
    7.5750  4.942663E+00  1.693133E+00
    7.6250  4.580104E+00  1.715167E+00
    7.6750  5.751655E+00  1.743200E+00
    7.7250  6.777826E+00  1.776667E+00
    7.7750  6.624289E+00  1.809800E+00
    7.8250  6.809659E+00  1.844300E+00
    7.8750  6.242750E+00  1.876333E+00
    7.9250  7.453518E+00  1.915067E+00
    7.9750  7.436361E+00  1.954200E+00
    8.0250  8.751478E+00  2.000833E+00
    8.0750  8.791715E+00  2.048267E+00
    8.1250  8.592306E+00  2.095200E+00
    8.1750  8.288596E+00  2.141033E+00
    8.2250  9.545871E+00  2.194467E+00
    8.2750  7.907098E+00  2.239267E+00
    8.3250  7.963536E+00  2.284933E+00
    8.3750  8.081246E+00  2.331833E+00
    8.4250  8.382906E+00  2.381067E+00
    8.4750  7.252254E+00  2.424167E+00
    8.5250  8.603138E+00  2.475900E+00
    8.5750  7.933307E+00  2.524167E+00
    8.6250  8.004057E+00  2.573433E+00
    8.6750  9.314601E+00  2.631433E+00
    8.7250  9.541548E+00  2.691533E+00
    8.7750  9.072121E+00  2.749333E+00
    8.8250  1.072319E+01  2.818433E+00
    8.8750  9.630917E+00  2.881200E+00
    8.9250  1.077757E+01  2.952233E+00
    8.9750  1.054279E+01  3.022500E+00
    9.0250  1.025319E+01  3.091600E+00
    9.0750  9.499703E+00  3.156333E+00
    9.1250  7.857319E+00  3.210467E+00
    9.1750  6.939209E+00  3.258800E+00
    9.2250  7.844113E+00  3.314033E+00
    9.2750  8.003286E+00  3.371000E+00
    9.3250  8.774784E+00  3.434133E+00
    9.3750  8.433919E+00  3.495467E+00
    9.4250  7.560091E+00  3.551033E+00
    9.4750  6.479820E+00  3.599167E+00
    9.5250  7.282291E+00  3.653833E+00
    9.5750  5.233454E+00  3.693533E+00
    9.6250  4.326889E+00  3.726700E+00
    9.6750  3.705573E+00  3.755400E+00
    9.7250  3.416248E+00  3.782133E+00
    9.7750  3.798792E+00  3.812167E+00
    9.8250  2.737745E+00  3.834033E+00
    9.8750  1.908631E+00  3.849433E+00
    9.9250  2.024410E+00  3.865933E+00
    9.9750  1.485917E+00  3.878167E+00
   10.0250  1.270705E+00  3.888733E+00
   10.0750  1.202560E+00  3.898833E+00
   10.1250  1.544389E+00  3.911933E+00
   10.1750  1.610964E+00  3.925733E+00
   10.2250  1.502769E+00  3.938733E+00
   10.2750  1.595023E+00  3.952667E+00
   10.3250  6.613209E-01  3.958500E+00
   10.3750  8.271236E-01  3.965867E+00
   10.4250  6.227468E-01  3.971467E+00
   10.4750  5.801007E-01  3.976733E+00
   10.5250  4.836841E-01  3.981167E+00
   10.5750  2.053376E-01  3.983067E+00
   10.6250  3.711332E-01  3.986533E+00
   10.6750  5.444266E-01  3.991667E+00
   10.7250  2.451646E-01  3.994000E+00
   10.7750  1.387969E-01  3.995333E+00
   10.8250  1.547074E-01  3.996833E+00
   10.8750  7.494084E-02  3.997567E+00
   10.9250  9.113292E-02  3.998467E+00
   10.9750  1.237505E-01  3.999700E+00
   11.0250  2.982907E-02  4.000000E+00
   11.0750  0.000000E+00  4.000000E+00
   11.1250  0.000000E+00  4.000000E+00
   11.1750  0.000000E+00  4.000000E+00
   11.2250  0.000000E+00  4.000000E+00
   11.2750  0.000000E+00  4.000000E+00
   11.3250  0.000000E+00  4.000000E+00
   11.3750  0.000000E+00  4.000000E+00
   11.4250  0.000000E+00  4.000000E+00
   11.4750  0.000000E+00  4.000000E+00
   11.5250  0.000000E+00  4.000000E+00
   11.5750  0.000000E+00  4.000000E+00
   11.6250  0.000000E+00  4.000000E+00
   11.6750  0.000000E+00  4.000000E+00
   11.7250  0.000000E+00  4.000000E+00
   11.7750  0.000000E+00  4.000000E+00
   11.8250  0.000000E+00  4.000000E+00
   11.8750  0.000000E+00  4.000000E+00
   11.9250  0.000000E+00  4.000000E+00
   11.9750  0.000000E+00  4.000000E+00
   12.0250  0.000000E+00  4.000000E+00
   12.0750  0.000000E+00  4.000000E+00
   12.1250  0.000000E+00  4.000000E+00
   12.1750  0.000000E+00  4.000000E+00
   12.2250  0.000000E+00  4.000000E+00
   12.2750  0.000000E+00  4.000000E+00
   12.3250  0.000000E+00  4.000000E+00
   12.3750  0.000000E+00  4.000000E+00
   12.4250  0.000000E+00  4.000000E+00
   12.4750  0.000000E+00  4.000000E+00
   12.5250  0.000000E+00  4.000000E+00
   12.5750  0.000000E+00  4.000000E+00
   12.6250  0.000000E+00  4.000000E+00
   12.6750  0.000000E+00  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
   14.0250  0.000000E+00  4.000000E+00
   14.0750  0.000000E+00  4.000000E+00
   14.1250  0.000000E+00  4.000000E+00
   14.1750  0.000000E+00  4.000000E+00
   14.2250  0.000000E+00  4.000000E+00
   14.2750  0.000000E+00  4.000000E+00
   14.3250  0.000000E+00  4.000000E+00
   14.3750  0.000000E+00  4.000000E+00
   14.4250  0.000000E+00  4.000000E+00
   14.4750  0.000000E+00  4.000000E+00
   14.5250  0.000000E+00  4.000000E+00
   14.5750  0.000000E+00  4.000000E+00
   14.6250  0.000000E+00  4.000000E+00
   14.6750  0.000000E+00  4.000000E+00
   14.7250  0.000000E+00  4.000000E+00
   14.7750  0.000000E+00  4.000000E+00
   14.8250  0.000000E+00  4.000000E+00
   14.8750  0.000000E+00  4.000000E+00
   14.9250  0.000000E+00  4.000000E+00
   14.9750  0.000000E+00  4.000000E+00
   15.0250  0.000000E+00  4.000000E+00
   15.0750  0.000000E+00  4.000000E+00
   15.1250  0.000000E+00  4.000000E+00
   15.1750  0.000000E+00  4.000000E+00
   15.2250  0.000000E+00  4.000000E+00
   15.2750  0.000000E+00  4.000000E+00
   15.3250  0.000000E+00  4.000000E+00
   15.3750  0.000000E+00  4.000000E+00
   15.4250  0.000000E+00  4.000000E+00
   15.4750  0.000000E+00  4.000000E+00
   15.5250  0.000000E+00  4.000000E+00
   15.5750  0.000000E+00  4.000000E+00
   15.6250  0.000000E+00  4.000000E+00
   15.6750  0.000000E+00  4.000000E+00
   15.7250  0.000000E+00  4.000000E+00
   15.7750  0.000000E+00  4.000000E+00
   15.8250  0.000000E+00  4.000000E+00
   15.8750  0.000000E+00  4.000000E+00
   15.9250  0.000000E+00  4.000000E+00
   15.9750  0.000000E+00  4.000000E+00

g(r)  :N       Oe      

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  7.290685E-01  4.000000E-04
    2.6250  6.255575E+00  3.966667E-03
    2.6750  1.480644E+01  1.273333E-02
    2.7250  2.886168E+01  3.046667E-02
    2.7750  4.028174E+01  5.613333E-02
    2.8250  4.124098E+01  8.336667E-02
    2.8750  5.375812E+01  1.201333E-01
    2.9250  5.127678E+01  1.564333E-01
    2.9750  5.261733E+01  1.949667E-01
    3.0250  5.877272E+01  2.394667E-01
    3.0750  6.224516E+01  2.881667E-01
    3.1250  4.050954E+01  3.209000E-01
    3.1750  4.112199E+01  3.552000E-01
    3.2250  3.586725E+01  3.860667E-01
    3.2750  3.586968E+01  4.179000E-01
    3.3250  3.294065E+01  4.480333E-01
    3.3750  2.348377E+01  4.701667E-01
    3.4250  2.338694E+01  4.928667E-01
    3.4750  2.111746E+01  5.139667E-01
    3.5250  1.967969E+01  5.342000E-01
    3.5750  1.371151E+01  5.487000E-01
    3.6250  1.030081E+01  5.599000E-01
    3.6750  1.497399E+01  5.766333E-01
    3.7250  1.483601E+01  5.936667E-01
    3.7750  1.851639E+01  6.155000E-01
    3.8250  2.178024E+01  6.418667E-01
    3.8750  1.923645E+01  6.657667E-01
    3.9250  2.105067E+01  6.926000E-01
    3.9750  2.980504E+01  7.315667E-01
    4.0250  2.996435E+01  7.717333E-01
    4.0750  3.051934E+01  8.136667E-01
    4.1250  2.436225E+01  8.479667E-01
    4.1750  2.445247E+01  8.832333E-01
    4.2250  2.207169E+01  9.158333E-01
    4.2750  3.030963E+01  9.616667E-01
    4.3250  2.946213E+01  1.007267E+00
    4.3750  2.936084E+01  1.053767E+00
    4.4250  2.970922E+01  1.101900E+00
    4.4750  2.671546E+01  1.146167E+00
    4.5250  2.266554E+01  1.184567E+00
    4.5750  2.261552E+01  1.223733E+00
    4.6250  2.071668E+01  1.260400E+00
    4.6750  2.639556E+01  1.308133E+00
    4.7250  2.957512E+01  1.362767E+00
    4.7750  2.374672E+01  1.407567E+00
    4.8250  2.211503E+01  1.450167E+00
    4.8750  2.252823E+01  1.494467E+00
    4.9250  2.401636E+01  1.542667E+00
    4.9750  2.153402E+01  1.586767E+00
    5.0250  2.327741E+01  1.635400E+00
    5.0750  1.776879E+01  1.673267E+00
    5.1250  1.578263E+01  1.707567E+00
    5.1750  1.496767E+01  1.740733E+00
    5.2250  1.540564E+01  1.775533E+00
    5.2750  1.421734E+01  1.808267E+00
    5.3250  1.200520E+01  1.836433E+00
    5.3750  1.051396E+01  1.861567E+00
    5.4250  1.338725E+01  1.894167E+00
    5.4750  1.142360E+01  1.922500E+00
    5.5250  9.726467E+00  1.947067E+00
    5.5750  1.141927E+01  1.976433E+00
    5.6250  1.131903E+01  2.006067E+00
    5.6750  1.149572E+01  2.036700E+00
    5.7250  1.207016E+01  2.069433E+00
    5.7750  8.890502E+00  2.093967E+00
    5.8250  9.332182E+00  2.120167E+00
    5.8750  7.364888E+00  2.141200E+00
    5.9250  7.413246E+00  2.162733E+00
    5.9750  7.763638E+00  2.185667E+00
    6.0250  8.168012E+00  2.210200E+00
    6.0750  7.018934E+00  2.231633E+00
    6.1250  8.676647E+00  2.258567E+00
    6.1750  9.403053E+00  2.288233E+00
    6.2250  1.252741E+01  2.328400E+00
    6.2750  1.171469E+01  2.366567E+00
    6.3250  1.167119E+01  2.405200E+00
    6.3750  1.524575E+01  2.456467E+00
    6.4250  1.593650E+01  2.510900E+00
    6.4750  1.814159E+01  2.573833E+00
    6.5250  1.691841E+01  2.633433E+00
    6.5750  1.939249E+01  2.702800E+00
    6.6250  1.937624E+01  2.773167E+00
    6.6750  2.110335E+01  2.850967E+00
    6.7250  2.304438E+01  2.937200E+00
    6.7750  2.268794E+01  3.023367E+00
    6.8250  2.029836E+01  3.101600E+00
    6.8750  2.077129E+01  3.182833E+00
    6.9250  2.308503E+01  3.274433E+00
    6.9750  2.350879E+01  3.369067E+00
    7.0250  2.253044E+01  3.461067E+00
    7.0750  2.282479E+01  3.555600E+00
    7.1250  2.433870E+01  3.657833E+00
    7.1750  2.300684E+01  3.755833E+00
    7.2250  2.020447E+01  3.843100E+00
    7.2750  2.006471E+01  3.930967E+00
    7.3250  2.084288E+01  4.023500E+00
    7.3750  1.972426E+01  4.112267E+00
    7.4250  2.059945E+01  4.206233E+00
    7.4750  1.739757E+01  4.286667E+00
    7.5250  1.659798E+01  4.364433E+00
    7.5750  1.455418E+01  4.433533E+00
    7.6250  1.380267E+01  4.499933E+00
    7.6750  1.060739E+01  4.551633E+00
    7.7250  9.910207E+00  4.600567E+00
    7.7750  7.950480E+00  4.640333E+00
    7.8250  7.250477E+00  4.677067E+00
    7.8750  6.652005E+00  4.711200E+00
    7.9250  7.177700E+00  4.748500E+00
    7.9750  6.353211E+00  4.781933E+00
    8.0250  7.318963E+00  4.820933E+00
    8.0750  6.604599E+00  4.856567E+00
    8.1250  4.851479E+00  4.883067E+00
    8.1750  3.894133E+00  4.904600E+00
    8.2250  2.953682E+00  4.921133E+00
    8.2750  3.065177E+00  4.938500E+00
    8.3250  1.354382E+00  4.946267E+00
    8.3750  1.240618E+00  4.953467E+00
    8.4250  1.197558E+00  4.960500E+00
    8.4750  7.347605E-01  4.964867E+00
    8.5250  1.025503E+00  4.971033E+00
    8.5750  7.286808E-01  4.975467E+00
    8.6250  8.285661E-01  4.980567E+00
    8.6750  5.460283E-01  4.983967E+00
    8.7250  4.392393E-01  4.986733E+00
    8.7750  4.342480E-01  4.989500E+00
    8.8250  5.172787E-01  4.992833E+00
    8.8750  4.347466E-01  4.995667E+00
    8.9250  2.528760E-01  4.997333E+00
    8.9750  1.700451E-01  4.998467E+00
    9.0250  1.187055E-01  4.999267E+00
    9.0750  1.076176E-01  5.000000E+00
    9.1250  0.000000E+00  5.000000E+00
    9.1750  0.000000E+00  5.000000E+00
    9.2250  0.000000E+00  5.000000E+00
    9.2750  0.000000E+00  5.000000E+00
    9.3250  0.000000E+00  5.000000E+00
    9.3750  0.000000E+00  5.000000E+00
    9.4250  0.000000E+00  5.000000E+00
    9.4750  0.000000E+00  5.000000E+00
    9.5250  0.000000E+00  5.000000E+00
    9.5750  0.000000E+00  5.000000E+00
    9.6250  0.000000E+00  5.000000E+00
    9.6750  0.000000E+00  5.000000E+00
    9.7250  0.000000E+00  5.000000E+00
    9.7750  0.000000E+00  5.000000E+00
    9.8250  0.000000E+00  5.000000E+00
    9.8750  0.000000E+00  5.000000E+00
    9.9250  0.000000E+00  5.000000E+00
    9.9750  0.000000E+00  5.000000E+00
   10.0250  0.000000E+00  5.000000E+00
   10.0750  0.000000E+00  5.000000E+00
   10.1250  0.000000E+00  5.000000E+00
   10.1750  0.000000E+00  5.000000E+00
   10.2250  0.000000E+00  5.000000E+00
   10.2750  0.000000E+00  5.000000E+00
   10.3250  0.000000E+00  5.000000E+00
   10.3750  0.000000E+00  5.000000E+00
   10.4250  0.000000E+00  5.000000E+00
   10.4750  0.000000E+00  5.000000E+00
   10.5250  0.000000E+00  5.000000E+00
   10.5750  0.000000E+00  5.000000E+00
   10.6250  0.000000E+00  5.000000E+00
   10.6750  0.000000E+00  5.000000E+00
   10.7250  0.000000E+00  5.000000E+00
   10.7750  0.000000E+00  5.000000E+00
   10.8250  0.000000E+00  5.000000E+00
   10.8750  0.000000E+00  5.000000E+00
   10.9250  0.000000E+00  5.000000E+00
   10.9750  0.000000E+00  5.000000E+00
   11.0250  0.000000E+00  5.000000E+00
   11.0750  0.000000E+00  5.000000E+00
   11.1250  0.000000E+00  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :N       O       

        r      g(r)         n(r)

    2.5750  0.000000E+00  0.000000E+00
    2.6250  0.000000E+00  0.000000E+00
    2.6750  2.364527E+00  1.400000E-03
    2.7250  4.502856E+00  4.166667E-03
    2.7750  6.643871E+00  8.400000E-03
    2.8250  1.812180E+01  2.036667E-02
    2.8750  2.344302E+01  3.640000E-02
    2.9250  3.616214E+01  6.200000E-02
    2.9750  3.441064E+01  8.720000E-02
    3.0250  2.808764E+01  1.084667E-01
    3.0750  2.304903E+01  1.265000E-01
    3.1250  2.479250E+01  1.465333E-01
    3.1750  2.585610E+01  1.681000E-01
    3.2250  2.552539E+01  1.900667E-01
    3.2750  2.219789E+01  2.097667E-01
    3.3250  2.656386E+01  2.340667E-01
    3.3750  2.698511E+01  2.595000E-01
    3.4250  2.208194E+01  2.809333E-01
    3.4750  2.151780E+01  3.024333E-01
    3.5250  1.741021E+01  3.203333E-01
    3.5750  1.970044E+01  3.411667E-01
    3.6250  2.008046E+01  3.630000E-01
    3.6750  2.445950E+01  3.903333E-01
    3.7250  2.133946E+01  4.148333E-01
    3.7750  1.602869E+01  4.337333E-01
    3.8250  1.621815E+01  4.533667E-01
    3.8750  1.290479E+01  4.694000E-01
    3.9250  1.427784E+01  4.876000E-01
    3.9750  9.688550E+00  5.002667E-01
    4.0250  1.437294E+01  5.195333E-01
    4.0750  9.825384E+00  5.330333E-01
    4.1250  9.872747E+00  5.469333E-01
    4.1750  1.393652E+01  5.670333E-01
    4.2250  1.090043E+01  5.831333E-01
    4.2750  1.355667E+01  6.036333E-01
    4.3250  1.238357E+01  6.228000E-01
    4.3750  8.250502E+00  6.358667E-01
    4.4250  9.278987E+00  6.509000E-01
    4.4750  9.656190E+00  6.669000E-01
    4.5250  9.522675E+00  6.830333E-01
    4.5750  9.007712E+00  6.986333E-01
    4.6250  8.493839E+00  7.136667E-01
    4.6750  9.234758E+00  7.303667E-01
    4.7250  1.230642E+01  7.531000E-01
    4.7750  1.201471E+01  7.757667E-01
    4.8250  1.166317E+01  7.982333E-01
    4.8750  1.159467E+01  8.210333E-01
    4.9250  1.036391E+01  8.418333E-01
    4.9750  8.887057E+00  8.600333E-01
    5.0250  9.141850E+00  8.791333E-01
    5.0750  8.853113E+00  8.980000E-01
    5.1250  1.023033E+01  9.202333E-01
    5.1750  7.055112E+00  9.358667E-01
    5.2250  6.861708E+00  9.513667E-01
    5.2750  7.803614E+00  9.693333E-01
    5.3250  7.444646E+00  9.868000E-01
    5.3750  5.800807E+00  1.000667E+00
    5.4250  6.036583E+00  1.015367E+00
    5.4750  5.778996E+00  1.029700E+00
    5.5250  6.004807E+00  1.044867E+00
    5.5750  6.014236E+00  1.060333E+00
    5.6250  8.747098E+00  1.083233E+00
    5.6750  1.117049E+01  1.113000E+00
    5.7250  1.355742E+01  1.149767E+00
    5.7750  1.507520E+01  1.191367E+00
    5.8250  1.530430E+01  1.234333E+00
    5.8750  1.868651E+01  1.287700E+00
    5.9250  1.961182E+01  1.344667E+00
    5.9750  1.917212E+01  1.401300E+00
    6.0250  2.025356E+01  1.462133E+00
    6.0750  2.124237E+01  1.527000E+00
    6.1250  2.330238E+01  1.599333E+00
    6.1750  2.343368E+01  1.673267E+00
    6.2250  2.044930E+01  1.738833E+00
    6.2750  2.268251E+01  1.812733E+00
    6.3250  1.711909E+01  1.869400E+00
    6.3750  1.832861E+01  1.931033E+00
    6.4250  2.039638E+01  2.000700E+00
    6.4750  1.791098E+01  2.062833E+00
    6.5250  1.362556E+01  2.110833E+00
    6.5750  1.277612E+01  2.156533E+00
    6.6250  1.110623E+01  2.196867E+00
    6.6750  8.209873E+00  2.227133E+00
    6.7250  6.066186E+00  2.249833E+00
    6.7750  4.467375E+00  2.266800E+00
    6.8250  3.796754E+00  2.281433E+00
    6.8750  3.486030E+00  2.295067E+00
    6.9250  4.653969E+00  2.313533E+00
    6.9750  3.411631E+00  2.327267E+00
    7.0250  4.179561E+00  2.344333E+00
    7.0750  4.893325E+00  2.364600E+00
    7.1250  4.126549E+00  2.381933E+00
    7.1750  5.133499E+00  2.403800E+00
    7.2250  3.766150E+00  2.420067E+00
    7.2750  4.650811E+00  2.440433E+00
    7.3250  5.706263E+00  2.465767E+00
    7.3750  8.636306E+00  2.504633E+00
    7.4250  9.185354E+00  2.546533E+00
    7.4750  5.753526E+00  2.573133E+00
    7.5250  5.947670E+00  2.601000E+00
    7.5750  6.171308E+00  2.630300E+00
    7.6250  5.619462E+00  2.657333E+00
    7.6750  5.142978E+00  2.682400E+00
    7.7250  5.157628E+00  2.707867E+00
    7.7750  5.038192E+00  2.733067E+00
    7.8250  4.592408E+00  2.756333E+00
    7.8750  4.293921E+00  2.778367E+00
    7.9250  6.286100E+00  2.811033E+00
    7.9750  4.566964E+00  2.835067E+00
    8.0250  4.923097E+00  2.861300E+00
    8.0750  4.207420E+00  2.884000E+00
    8.1250  4.259538E+00  2.907267E+00
    8.1750  5.003298E+00  2.934933E+00
    8.2250  4.900968E+00  2.962367E+00
    8.2750  4.653657E+00  2.988733E+00
    8.3250  3.807384E+00  3.010567E+00
    8.3750  5.272626E+00  3.041167E+00
    8.4250  7.304536E+00  3.084067E+00
    8.4750  6.113656E+00  3.120400E+00
    8.5250  5.371418E+00  3.152700E+00
    8.5750  4.607673E+00  3.180733E+00
    8.6250  3.985782E+00  3.205267E+00
    8.6750  3.929263E+00  3.229733E+00
    8.7250  5.265580E+00  3.262900E+00
    8.7750  4.577916E+00  3.292067E+00
    8.8250  4.510670E+00  3.321133E+00
    8.8750  4.700378E+00  3.351767E+00
    8.9250  6.539373E+00  3.394867E+00
    8.9750  6.486719E+00  3.438100E+00
    9.0250  5.653350E+00  3.476200E+00
    9.0750  4.563967E+00  3.507300E+00
    9.1250  4.775353E+00  3.540200E+00
    9.1750  3.952956E+00  3.567733E+00
    9.2250  4.341009E+00  3.598300E+00
    9.2750  3.662124E+00  3.624367E+00
    9.3250  2.701003E+00  3.643800E+00
    9.3750  3.419404E+00  3.668667E+00
    9.4250  3.814059E+00  3.696700E+00
    9.4750  4.298939E+00  3.728633E+00
    9.5250  4.178437E+00  3.760000E+00
    9.5750  4.209613E+00  3.791933E+00
    9.6250  3.448466E+00  3.818367E+00
    9.6750  3.606586E+00  3.846300E+00
    9.7250  3.130851E+00  3.870800E+00
    9.7750  4.317384E+00  3.904933E+00
    9.8250  5.283514E+00  3.947133E+00
    9.8750  5.188833E+00  3.989000E+00
    9.9250  5.913730E+00  4.037200E+00
    9.9750  4.287700E+00  4.072500E+00
   10.0250  4.605805E+00  4.110800E+00
   10.0750  4.976932E+00  4.152600E+00
   10.1250  5.438765E+00  4.198733E+00
   10.1750  4.630548E+00  4.238400E+00
   10.2250  4.465922E+00  4.277033E+00
   10.2750  4.674409E+00  4.317867E+00
   10.3250  5.351031E+00  4.365067E+00
   10.3750  4.917830E+00  4.408867E+00
   10.4250  5.374898E+00  4.457200E+00
   10.4750  5.701876E+00  4.508967E+00
   10.5250  4.836841E+00  4.553300E+00
   10.5750  3.400679E+00  4.584767E+00
   10.6250  4.125289E+00  4.623300E+00
   10.6750  5.051855E+00  4.670933E+00
   10.7250  4.087245E+00  4.709833E+00
   10.7750  4.205547E+00  4.750233E+00
   10.8250  3.857371E+00  4.787633E+00
   10.8750  3.614192E+00  4.823000E+00
   10.9250  2.936505E+00  4.852000E+00
   10.9750  2.404774E+00  4.875967E+00
   11.0250  1.822888E+00  4.894300E+00
   11.0750  1.478017E+00  4.909300E+00
   11.1250  1.533117E+00  4.925000E+00
   11.1750  1.616207E+00  4.941700E+00
   11.2250  1.237350E+00  4.954600E+00
   11.2750  8.936562E-01  4.964000E+00
   11.3250  7.569986E-01  4.972033E+00
   11.3750  4.888226E-01  4.977267E+00
   11.4250  5.462800E-01  4.983167E+00
   11.4750  3.671388E-01  4.987167E+00
   11.5250  3.336302E-02  4.987533E+00
   11.5750  3.006855E-02  4.987867E+00
   11.6250  1.579954E-01  4.989633E+00
   11.6750  1.418672E-01  4.991233E+00
   11.7250  4.981702E-02  4.991800E+00
   11.7750  8.135621E-02  4.992733E+00
   11.8250  1.094803E-01  4.994000E+00
   11.8750  4.285274E-02  4.994500E+00
   11.9250  4.249414E-02  4.995000E+00
   11.9750  4.494936E-02  4.995533E+00
   12.0250  2.368118E-01  4.998367E+00
   12.0750  1.022309E-01  4.999600E+00
   12.1250  3.288307E-02  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :N       K       

        r      g(r)         n(r)

    4.3250  0.000000E+00  0.000000E+00
    4.3750  0.000000E+00  0.000000E+00
    4.4250  3.950256E+00  1.066667E-03
    4.4750  3.379667E+00  2.000000E-03
    4.5250  6.610782E+00  3.866667E-03
    4.5750  6.120625E+00  5.633333E-03
    4.6250  3.277002E+00  6.600000E-03
    4.6750  2.986089E+00  7.500000E-03
    4.7250  6.929130E+00  9.633333E-03
    4.7750  8.056925E+00  1.216667E-02
    4.8250  8.202288E+00  1.480000E-02
    4.8750  8.543438E+00  1.760000E-02
    4.9250  3.049381E+01  2.780000E-02
    4.9750  3.281375E+01  3.900000E-02
    5.0250  2.594179E+01  4.803333E-02
    5.0750  4.026133E+01  6.233333E-02
    5.1250  5.190322E+01  8.113333E-02
    5.1750  5.650107E+01  1.020000E-01
    5.2250  7.127322E+01  1.288333E-01
    5.2750  6.376088E+01  1.533000E-01
    5.3250  8.865380E+01  1.879667E-01
    5.3750  8.625912E+01  2.223333E-01
    5.4250  9.855646E+01  2.623333E-01
    5.4750  9.628075E+01  3.021333E-01
    5.5250  1.143421E+02  3.502667E-01
    5.5750  1.225660E+02  4.028000E-01
    5.6250  1.500376E+02  4.682667E-01
    5.6750  1.240637E+02  5.233667E-01
    5.7250  1.168175E+02  5.761667E-01
    5.7750  9.284294E+01  6.188667E-01
    5.8250  1.141233E+02  6.722667E-01
    5.8750  9.244044E+01  7.162667E-01
    5.9250  8.689334E+01  7.583333E-01
    5.9750  7.346116E+01  7.945000E-01
    6.0250  5.839685E+01  8.237333E-01
    6.0750  5.475423E+01  8.516000E-01
    6.1250  4.129998E+01  8.729667E-01
    6.1750  4.038030E+01  8.942000E-01
    6.2250  3.324701E+01  9.119667E-01
    6.2750  2.922023E+01  9.278333E-01
    6.3250  1.927409E+01  9.384667E-01
    6.3750  1.260897E+01  9.455333E-01
    6.4250  1.422867E+01  9.536333E-01
    6.4750  8.302086E+00  9.584333E-01
    6.5250  1.311461E+01  9.661333E-01
    6.5750  1.655025E+01  9.760000E-01
    6.6250  1.239125E+01  9.835000E-01
    6.6750  7.703537E+00  9.882333E-01
    6.7250  3.634367E+00  9.905000E-01
    6.7750  4.423491E+00  9.933000E-01
    6.8250  3.217295E+00  9.953667E-01
    6.8750  5.625379E-01  9.957333E-01
    6.9250  9.072720E-01  9.963333E-01
    6.9750  2.981037E+00  9.983333E-01
    7.0250  1.371418E+00  9.992667E-01
    7.0750  1.062367E+00  1.000000E+00
    7.1250  0.000000E+00  1.000000E+00
    7.1750  0.000000E+00  1.000000E+00
    7.2250  0.000000E+00  1.000000E+00
    7.2750  0.000000E+00  1.000000E+00
    7.3250  0.000000E+00  1.000000E+00
    7.3750  0.000000E+00  1.000000E+00
    7.4250  0.000000E+00  1.000000E+00
    7.4750  0.000000E+00  1.000000E+00
    7.5250  0.000000E+00  1.000000E+00
    7.5750  0.000000E+00  1.000000E+00
    7.6250  0.000000E+00  1.000000E+00
    7.6750  0.000000E+00  1.000000E+00
    7.7250  0.000000E+00  1.000000E+00
    7.7750  0.000000E+00  1.000000E+00
    7.8250  0.000000E+00  1.000000E+00
    7.8750  0.000000E+00  1.000000E+00
    7.9250  0.000000E+00  1.000000E+00
    7.9750  0.000000E+00  1.000000E+00
    8.0250  0.000000E+00  1.000000E+00
    8.0750  0.000000E+00  1.000000E+00
    8.1250  0.000000E+00  1.000000E+00
    8.1750  0.000000E+00  1.000000E+00
    8.2250  0.000000E+00  1.000000E+00
    8.2750  0.000000E+00  1.000000E+00
    8.3250  0.000000E+00  1.000000E+00
    8.3750  0.000000E+00  1.000000E+00
    8.4250  0.000000E+00  1.000000E+00
    8.4750  0.000000E+00  1.000000E+00
    8.5250  0.000000E+00  1.000000E+00
    8.5750  0.000000E+00  1.000000E+00
    8.6250  0.000000E+00  1.000000E+00
    8.6750  0.000000E+00  1.000000E+00
    8.7250  0.000000E+00  1.000000E+00
    8.7750  0.000000E+00  1.000000E+00
    8.8250  0.000000E+00  1.000000E+00
    8.8750  0.000000E+00  1.000000E+00
    8.9250  0.000000E+00  1.000000E+00
    8.9750  0.000000E+00  1.000000E+00
    9.0250  0.000000E+00  1.000000E+00
    9.0750  0.000000E+00  1.000000E+00
    9.1250  0.000000E+00  1.000000E+00
    9.1750  0.000000E+00  1.000000E+00
    9.2250  0.000000E+00  1.000000E+00
    9.2750  0.000000E+00  1.000000E+00
    9.3250  0.000000E+00  1.000000E+00
    9.3750  0.000000E+00  1.000000E+00
    9.4250  0.000000E+00  1.000000E+00
    9.4750  0.000000E+00  1.000000E+00
    9.5250  0.000000E+00  1.000000E+00
    9.5750  0.000000E+00  1.000000E+00
    9.6250  0.000000E+00  1.000000E+00
    9.6750  0.000000E+00  1.000000E+00
    9.7250  0.000000E+00  1.000000E+00
    9.7750  0.000000E+00  1.000000E+00
    9.8250  0.000000E+00  1.000000E+00
    9.8750  0.000000E+00  1.000000E+00
    9.9250  0.000000E+00  1.000000E+00
    9.9750  0.000000E+00  1.000000E+00
   10.0250  0.000000E+00  1.000000E+00
   10.0750  0.000000E+00  1.000000E+00
   10.1250  0.000000E+00  1.000000E+00
   10.1750  0.000000E+00  1.000000E+00
   10.2250  0.000000E+00  1.000000E+00
   10.2750  0.000000E+00  1.000000E+00
   10.3250  0.000000E+00  1.000000E+00
   10.3750  0.000000E+00  1.000000E+00
   10.4250  0.000000E+00  1.000000E+00
   10.4750  0.000000E+00  1.000000E+00
   10.5250  0.000000E+00  1.000000E+00
   10.5750  0.000000E+00  1.000000E+00
   10.6250  0.000000E+00  1.000000E+00
   10.6750  0.000000E+00  1.000000E+00
   10.7250  0.000000E+00  1.000000E+00
   10.7750  0.000000E+00  1.000000E+00
   10.8250  0.000000E+00  1.000000E+00
   10.8750  0.000000E+00  1.000000E+00
   10.9250  0.000000E+00  1.000000E+00
   10.9750  0.000000E+00  1.000000E+00
   11.0250  0.000000E+00  1.000000E+00
   11.0750  0.000000E+00  1.000000E+00
   11.1250  0.000000E+00  1.000000E+00
   11.1750  0.000000E+00  1.000000E+00
   11.2250  0.000000E+00  1.000000E+00
   11.2750  0.000000E+00  1.000000E+00
   11.3250  0.000000E+00  1.000000E+00
   11.3750  0.000000E+00  1.000000E+00
   11.4250  0.000000E+00  1.000000E+00
   11.4750  0.000000E+00  1.000000E+00
   11.5250  0.000000E+00  1.000000E+00
   11.5750  0.000000E+00  1.000000E+00
   11.6250  0.000000E+00  1.000000E+00
   11.6750  0.000000E+00  1.000000E+00
   11.7250  0.000000E+00  1.000000E+00
   11.7750  0.000000E+00  1.000000E+00
   11.8250  0.000000E+00  1.000000E+00
   11.8750  0.000000E+00  1.000000E+00
   11.9250  0.000000E+00  1.000000E+00
   11.9750  0.000000E+00  1.000000E+00
   12.0250  0.000000E+00  1.000000E+00
   12.0750  0.000000E+00  1.000000E+00
   12.1250  0.000000E+00  1.000000E+00
   12.1750  0.000000E+00  1.000000E+00
   12.2250  0.000000E+00  1.000000E+00
   12.2750  0.000000E+00  1.000000E+00
   12.3250  0.000000E+00  1.000000E+00
   12.3750  0.000000E+00  1.000000E+00
   12.4250  0.000000E+00  1.000000E+00
   12.4750  0.000000E+00  1.000000E+00
   12.5250  0.000000E+00  1.000000E+00
   12.5750  0.000000E+00  1.000000E+00
   12.6250  0.000000E+00  1.000000E+00
   12.6750  0.000000E+00  1.000000E+00
   12.7250  0.000000E+00  1.000000E+00
   12.7750  0.000000E+00  1.000000E+00
   12.8250  0.000000E+00  1.000000E+00
   12.8750  0.000000E+00  1.000000E+00
   12.9250  0.000000E+00  1.000000E+00
   12.9750  0.000000E+00  1.000000E+00
   13.0250  0.000000E+00  1.000000E+00
   13.0750  0.000000E+00  1.000000E+00
   13.1250  0.000000E+00  1.000000E+00
   13.1750  0.000000E+00  1.000000E+00
   13.2250  0.000000E+00  1.000000E+00
   13.2750  0.000000E+00  1.000000E+00
   13.3250  0.000000E+00  1.000000E+00
   13.3750  0.000000E+00  1.000000E+00
   13.4250  0.000000E+00  1.000000E+00
   13.4750  0.000000E+00  1.000000E+00
   13.5250  0.000000E+00  1.000000E+00
   13.5750  0.000000E+00  1.000000E+00
   13.6250  0.000000E+00  1.000000E+00
   13.6750  0.000000E+00  1.000000E+00
   13.7250  0.000000E+00  1.000000E+00
   13.7750  0.000000E+00  1.000000E+00
   13.8250  0.000000E+00  1.000000E+00
   13.8750  0.000000E+00  1.000000E+00
   13.9250  0.000000E+00  1.000000E+00
   13.9750  0.000000E+00  1.000000E+00
   14.0250  0.000000E+00  1.000000E+00
   14.0750  0.000000E+00  1.000000E+00
   14.1250  0.000000E+00  1.000000E+00
   14.1750  0.000000E+00  1.000000E+00
   14.2250  0.000000E+00  1.000000E+00
   14.2750  0.000000E+00  1.000000E+00
   14.3250  0.000000E+00  1.000000E+00
   14.3750  0.000000E+00  1.000000E+00
   14.4250  0.000000E+00  1.000000E+00
   14.4750  0.000000E+00  1.000000E+00
   14.5250  0.000000E+00  1.000000E+00
   14.5750  0.000000E+00  1.000000E+00
   14.6250  0.000000E+00  1.000000E+00
   14.6750  0.000000E+00  1.000000E+00
   14.7250  0.000000E+00  1.000000E+00
   14.7750  0.000000E+00  1.000000E+00
   14.8250  0.000000E+00  1.000000E+00
   14.8750  0.000000E+00  1.000000E+00
   14.9250  0.000000E+00  1.000000E+00
   14.9750  0.000000E+00  1.000000E+00
   15.0250  0.000000E+00  1.000000E+00
   15.0750  0.000000E+00  1.000000E+00
   15.1250  0.000000E+00  1.000000E+00
   15.1750  0.000000E+00  1.000000E+00
   15.2250  0.000000E+00  1.000000E+00
   15.2750  0.000000E+00  1.000000E+00
   15.3250  0.000000E+00  1.000000E+00
   15.3750  0.000000E+00  1.000000E+00
   15.4250  0.000000E+00  1.000000E+00
   15.4750  0.000000E+00  1.000000E+00
   15.5250  0.000000E+00  1.000000E+00
   15.5750  0.000000E+00  1.000000E+00
   15.6250  0.000000E+00  1.000000E+00
   15.6750  0.000000E+00  1.000000E+00
   15.7250  0.000000E+00  1.000000E+00
   15.7750  0.000000E+00  1.000000E+00
   15.8250  0.000000E+00  1.000000E+00
   15.8750  0.000000E+00  1.000000E+00
   15.9250  0.000000E+00  1.000000E+00
   15.9750  0.000000E+00  1.000000E+00

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  3.314370E-03  4.000000E-04
    2.7250  8.516963E-03  1.466667E-03
    2.7750  1.283253E-02  3.133333E-03
    2.8250  2.550756E-02  6.566667E-03
    2.8750  4.088739E-02  1.226667E-02
    2.9250  7.807902E-02  2.353333E-02
    2.9750  7.815627E-02  3.520000E-02
    3.0250  9.870417E-02  5.043333E-02
    3.0750  9.593848E-02  6.573333E-02
    3.1250  8.277400E-02  7.936667E-02
    3.1750  1.095962E-01  9.800000E-02
    3.2250  1.143953E-01  1.180667E-01
    3.2750  8.199907E-02  1.329000E-01
    3.3250  6.685903E-02  1.453667E-01
    3.3750  6.645432E-02  1.581333E-01
    3.4250  6.250648E-02  1.705000E-01
    3.4750  7.119543E-02  1.850000E-01
    3.5250  7.587048E-02  2.009000E-01
    3.5750  6.664968E-02  2.152667E-01
    3.6250  6.422216E-02  2.295000E-01
    3.6750  7.112051E-02  2.457000E-01
    3.7250  5.939597E-02  2.596000E-01
    3.7750  5.991333E-02  2.740000E-01
    3.8250  6.038352E-02  2.889000E-01
    3.8750  7.936844E-02  3.090000E-01
    3.9250  1.146918E-01  3.388000E-01
    3.9750  1.263343E-01  3.724667E-01
    4.0250  1.288269E-01  4.076667E-01
    4.0750  1.196149E-01  4.411667E-01
    4.1250  1.320648E-01  4.790667E-01
    4.1750  1.492168E-01  5.229333E-01
    4.2250  1.614280E-01  5.715333E-01
    4.2750  1.880626E-01  6.295000E-01
    4.3250  1.902903E-01  6.895333E-01
    4.3750  2.160135E-01  7.592667E-01
    4.4250  2.184269E-01  8.314000E-01
    4.4750  2.219621E-01  9.063667E-01
    4.5250  2.551147E-01  9.944667E-01
    4.5750  2.879061E-01  1.096100E+00
    4.6250  3.284671E-01  1.214600E+00
    4.6750  3.305217E-01  1.336433E+00
    4.7250  3.575577E-01  1.471067E+00
    4.7750  3.888557E-01  1.620600E+00
    4.8250  3.621615E-01  1.762800E+00
    4.8750  3.849587E-01  1.917100E+00
    4.9250  3.443446E-01  2.057967E+00
    4.9750  3.745895E-01  2.214333E+00
    5.0250  3.239662E-01  2.352300E+00
    5.0750  2.930583E-01  2.479600E+00
    5.1250  2.623108E-01  2.595800E+00
    5.1750  3.123951E-01  2.736900E+00
    5.2250  3.182451E-01  2.883433E+00
    5.2750  3.211192E-01  3.034133E+00
    5.3250  2.892582E-01  3.172467E+00
    5.3750  3.034670E-01  3.320333E+00
    5.4250  2.985705E-01  3.468533E+00
    5.4750  2.881970E-01  3.614233E+00
    5.5250  3.055360E-01  3.771533E+00
    5.5750  3.330197E-01  3.946100E+00
    5.6250  3.631676E-01  4.139900E+00
    5.6750  3.537280E-01  4.332033E+00
    5.7250  3.742898E-01  4.538933E+00
    5.7750  3.600141E-01  4.741433E+00
    5.8250  3.751792E-01  4.956133E+00
    5.8750  4.353581E-01  5.209567E+00
    5.9250  4.569790E-01  5.480133E+00
    5.9750  4.221807E-01  5.734333E+00
    6.0250  3.856387E-01  5.970433E+00
    6.0750  4.375292E-01  6.242767E+00
    6.1250  4.305731E-01  6.515200E+00
    6.1750  4.215552E-01  6.786300E+00
    6.2250  4.571433E-01  7.085067E+00
    6.2750  4.885364E-01  7.409500E+00
    6.3250  5.118190E-01  7.754833E+00
    6.3750  5.138401E-01  8.107033E+00
    6.4250  5.044374E-01  8.458233E+00
    6.4750  4.918215E-01  8.806000E+00
    6.5250  5.430358E-01  9.195933E+00
    6.5750  5.214585E-01  9.576133E+00
    6.6250  4.895709E-01  9.938533E+00
    6.6750  5.218316E-01  1.033067E+01
    6.7250  4.991114E-01  1.071137E+01
    6.7750  5.299216E-01  1.112160E+01
    6.8250  5.275318E-01  1.153603E+01
    6.8750  5.355672E-01  1.196297E+01
    6.9250  5.427806E-01  1.240197E+01
    6.9750  5.399017E-01  1.284497E+01
    7.0250  5.773782E-01  1.332553E+01
    7.0750  5.428707E-01  1.378383E+01
    7.1250  4.991492E-01  1.421120E+01
    7.1750  5.213941E-01  1.466390E+01
    7.2250  5.162093E-01  1.511837E+01
    7.2750  5.131711E-01  1.557643E+01
    7.3250  4.768685E-01  1.600797E+01
    7.3750  4.726410E-01  1.644153E+01
    7.4250  4.673366E-01  1.687607E+01
    7.4750  4.909238E-01  1.733870E+01
    7.5250  5.281903E-01  1.784313E+01
    7.5750  5.358447E-01  1.836170E+01
    7.6250  5.321717E-01  1.888353E+01
    7.6750  5.387485E-01  1.941877E+01
    7.7250  5.827014E-01  2.000523E+01
    7.7750  5.924284E-01  2.060923E+01
    7.8250  5.739716E-01  2.120197E+01
    7.8750  5.497197E-01  2.177693E+01
    7.9250  5.833998E-01  2.239490E+01
    7.9750  5.807377E-01  2.301783E+01
    8.0250  5.712833E-01  2.363833E+01
    8.0750  5.935408E-01  2.429107E+01
    8.1250  6.302679E-01  2.499280E+01
    8.1750  6.191217E-01  2.569063E+01
    8.2250  6.174603E-01  2.639513E+01
    8.2750  6.440507E-01  2.713893E+01
    8.3250  6.808818E-01  2.793480E+01
    8.3750  6.833147E-01  2.874313E+01
    8.4250  7.264064E-01  2.961273E+01
    8.4750  7.029464E-01  3.046427E+01
    8.5250  7.227630E-01  3.135017E+01
    8.5750  7.051394E-01  3.222463E+01
    8.6250  6.863604E-01  3.308577E+01
    8.6750  6.972228E-01  3.397070E+01
    8.7250  6.982118E-01  3.486713E+01
    8.7750  6.937171E-01  3.576803E+01
    8.8250  6.887970E-01  3.667277E+01
    8.8750  6.894888E-01  3.758870E+01
    8.9250  6.936949E-01  3.852063E+01
    8.9750  7.067695E-01  3.948080E+01
    9.0250  7.211141E-01  4.047140E+01
    9.0750  7.185176E-01  4.146940E+01
    9.1250  7.156496E-01  4.247440E+01
    9.1750  7.396840E-01  4.352457E+01
    9.2250  7.237680E-01  4.456337E+01
    9.2750  7.233834E-01  4.561290E+01
    9.3250  7.180561E-01  4.666597E+01
    9.3750  7.273052E-01  4.774407E+01
    9.4250  7.303553E-01  4.883827E+01
    9.4750  7.174278E-01  4.992453E+01
    9.5250  7.348589E-01  5.104897E+01
    9.5750  7.291659E-01  5.217643E+01
    9.6250  7.330664E-01  5.332180E+01
    9.6750  7.086387E-01  5.444053E+01
    9.7250  7.231044E-01  5.559393E+01
    9.7750  7.487383E-01  5.680053E+01
    9.8250  7.268048E-01  5.798380E+01
    9.8750  7.418998E-01  5.920397E+01
    9.9250  7.583799E-01  6.046390E+01
    9.9750  7.401296E-01  6.170593E+01
   10.0250  7.453512E-01  6.296930E+01
   10.0750  7.597791E-01  6.427000E+01
   10.1250  7.618562E-01  6.558723E+01
   10.1750  7.354878E-01  6.687147E+01
   10.2250  7.660257E-01  6.822220E+01
   10.2750  8.080667E-01  6.966103E+01
   10.3250  8.091583E-01  7.111587E+01
   10.3750  8.100078E-01  7.258637E+01
   10.4250  7.760512E-01  7.400883E+01
   10.4750  7.788012E-01  7.545007E+01
   10.5250  8.166657E-01  7.697583E+01
   10.5750  8.059392E-01  7.849590E+01
   10.6250  7.923142E-01  8.000443E+01
   10.6750  7.817876E-01  8.150697E+01
   10.7250  8.094814E-01  8.307733E+01
   10.7750  8.375651E-01  8.471737E+01
   10.8250  8.070085E-01  8.631227E+01
   10.8750  7.887255E-01  8.788547E+01
   10.9250  8.048708E-01  8.950567E+01
   10.9750  8.079405E-01  9.114697E+01
   11.0250  8.409701E-01  9.287097E+01
   11.0750  8.436098E-01  9.461610E+01
   11.1250  8.511027E-01  9.639267E+01
   11.1750  8.334221E-01  9.814800E+01
   11.2250  8.478800E-01  9.994980E+01
   11.2750  8.424289E-01  1.017560E+02
   11.3250  8.414480E-01  1.035761E+02
   11.3750  8.420404E-01  1.054137E+02
   11.4250  8.452400E-01  1.072744E+02
   11.4750  8.537254E-01  1.091704E+02
   11.5250  8.684304E-01  1.111158E+02
   11.5750  8.530962E-01  1.130435E+02
   11.6250  8.774803E-01  1.150435E+02
   11.6750  8.732285E-01  1.170509E+02
   11.7250  9.046278E-01  1.191484E+02
   11.7750  8.712033E-01  1.211856E+02
   11.8250  8.629751E-01  1.232208E+02
   11.8750  8.796199E-01  1.253128E+02
   11.9250  8.848370E-01  1.274349E+02
   11.9750  8.972551E-01  1.296050E+02
   12.0250  8.991034E-01  1.317977E+02
   12.0750  8.660265E-01  1.339273E+02
   12.1250  8.831644E-01  1.361171E+02
   12.1750  8.684720E-01  1.382883E+02
   12.2250  8.857951E-01  1.405210E+02
   12.2750  9.034372E-01  1.428168E+02
   12.3250  8.922057E-01  1.451026E+02
   12.3750  8.958902E-01  1.474165E+02
   12.4250  9.168849E-01  1.498038E+02
   12.4750  9.215131E-01  1.522225E+02
   12.5250  9.279282E-01  1.546776E+02
   12.5750  9.175640E-01  1.571247E+02
   12.6250  9.386567E-01  1.596480E+02
   12.6750  9.555257E-01  1.622370E+02
   12.7250  9.410863E-01  1.648071E+02
   12.7750  9.435072E-01  1.674041E+02
   12.8250  9.458017E-01  1.700278E+02
   12.8750  9.576898E-01  1.727052E+02
   12.9250  9.890645E-01  1.754919E+02
   12.9750  1.013131E+00  1.783685E+02
   13.0250  1.003771E+00  1.812405E+02
   13.0750  9.813685E-01  1.840700E+02
   13.1250  9.548144E-01  1.868441E+02
   13.1750  9.602994E-01  1.896554E+02
   13.2250  9.777090E-01  1.925394E+02
   13.2750  9.845564E-01  1.954657E+02
   13.3250  9.733523E-01  1.983804E+02
   13.3750  9.791807E-01  2.013347E+02
   13.4250  9.889089E-01  2.043407E+02
   13.4750  1.001035E+00  2.074062E+02
   13.5250  9.967913E-01  2.104814E+02
   13.5750  1.019900E+00  2.136513E+02
   13.6250  1.030846E+00  2.168788E+02
   13.6750  1.017414E+00  2.200876E+02
   13.7250  1.018639E+00  2.233239E+02
   13.7750  1.022996E+00  2.265977E+02
   13.8250  1.037243E+00  2.299413E+02
   13.8750  1.038487E+00  2.333131E+02
   13.9250  1.043640E+00  2.367262E+02
   13.9750  1.047723E+00  2.401772E+02
   14.0250  1.048404E+00  2.436552E+02
   14.0750  1.055565E+00  2.471820E+02
   14.1250  1.071117E+00  2.507863E+02
   14.1750  1.045583E+00  2.543295E+02
   14.2250  1.056188E+00  2.579340E+02
   14.2750  1.044312E+00  2.615231E+02
   14.3250  1.052964E+00  2.651673E+02
   14.3750  1.079587E+00  2.689298E+02
   14.4250  1.066341E+00  2.726720E+02
   14.4750  1.044187E+00  2.763619E+02
   14.5250  1.057910E+00  2.801261E+02
   14.5750  1.043928E+00  2.838663E+02
   14.6250  1.050719E+00  2.876566E+02
   14.6750  1.028070E+00  2.913906E+02
   14.7250  1.030553E+00  2.951592E+02
   14.7750  1.042946E+00  2.989991E+02
   14.8250  1.053963E+00  3.029058E+02
   14.8750  1.051855E+00  3.068311E+02
   14.9250  1.063967E+00  3.108283E+02
   14.9750  1.073346E+00  3.148878E+02
   15.0250  1.058142E+00  3.189166E+02
   15.0750  1.055118E+00  3.229606E+02
   15.1250  1.028412E+00  3.269285E+02
   15.1750  1.041077E+00  3.309718E+02
   15.2250  1.072321E+00  3.351640E+02
   15.2750  1.049066E+00  3.392922E+02
   15.3250  1.044891E+00  3.434310E+02
   15.3750  1.039084E+00  3.475736E+02
   15.4250  1.051231E+00  3.517920E+02
   15.4750  1.071131E+00  3.561182E+02
   15.5250  1.058118E+00  3.604195E+02
   15.5750  1.074449E+00  3.648153E+02
   15.6250  1.061836E+00  3.691875E+02
   15.6750  1.055419E+00  3.735611E+02
   15.7250  1.048750E+00  3.779348E+02
   15.7750  1.057512E+00  3.823732E+02
   15.8250  1.075755E+00  3.869168E+02
   15.8750  1.054458E+00  3.913986E+02
   15.9250  1.064197E+00  3.959504E+02
   15.9750  1.048546E+00  4.004634E+02

g(r)  :N       HW      

        r      g(r)         n(r)

    2.0750  0.000000E+00  0.000000E+00
    2.1250  0.000000E+00  0.000000E+00
    2.1750  2.506649E-03  4.000000E-04
    2.2250  1.596841E-03  6.666667E-04
    2.2750  3.245776E-03  1.233333E-03
    2.3250  2.376461E-03  1.666667E-03
    2.3750  1.751889E-03  2.000000E-03
    2.4250  3.360788E-03  2.666667E-03
    2.4750  4.194287E-03  3.533333E-03
    2.5250  7.904660E-03  5.233333E-03
    2.5750  7.600673E-03  6.933333E-03
    2.6250  1.147277E-02  9.600000E-03
    2.6750  2.085291E-02  1.463333E-02
    2.7250  2.022779E-02  1.970000E-02
    2.7750  2.322688E-02  2.573333E-02
    2.8250  3.330842E-02  3.470000E-02
    2.8750  4.590865E-02  4.750000E-02
    2.9250  3.857750E-02  5.863333E-02
    2.9750  4.968506E-02  7.346667E-02
    3.0250  5.129593E-02  8.930000E-02
    3.0750  5.110449E-02  1.056000E-01
    3.1250  7.427398E-02  1.300667E-01
    3.1750  7.450186E-02  1.554000E-01
    3.2250  9.482271E-02  1.886667E-01
    3.2750  1.024528E-01  2.257333E-01
    3.3250  1.220088E-01  2.712333E-01
    3.3750  1.388947E-01  3.246000E-01
    3.4250  1.528966E-01  3.851000E-01
    3.4750  1.396903E-01  4.420000E-01
    3.5250  1.372667E-01  4.995333E-01
    3.5750  1.504644E-01  5.644000E-01
    3.6250  1.703316E-01  6.399000E-01
    3.6750  1.877523E-01  7.254333E-01
    3.7250  2.152926E-01  8.262000E-01
    3.7750  2.250910E-01  9.344000E-01
    3.8250  2.576093E-01  1.061533E+00
    3.8750  2.647589E-01  1.195633E+00
    3.9250  2.590187E-01  1.330233E+00
    3.9750  2.584225E-01  1.467967E+00
    4.0250  2.374026E-01  1.597700E+00
    4.0750  2.300058E-01  1.726533E+00
    4.1250  1.989684E-01  1.840733E+00
    4.1750  1.944014E-01  1.955033E+00
    4.2250  1.891078E-01  2.068900E+00
    4.2750  1.841153E-01  2.182400E+00
    4.3250  1.780868E-01  2.294767E+00
    4.3750  1.787893E-01  2.410200E+00
    4.4250  1.793139E-01  2.528633E+00
    4.4750  1.880608E-01  2.655667E+00
    4.5250  1.845552E-01  2.783133E+00
    4.5750  1.901748E-01  2.917400E+00
    4.6250  1.863623E-01  3.051867E+00
    4.6750  1.904456E-01  3.192267E+00
    4.7250  1.968382E-01  3.340500E+00
    4.7750  1.964649E-01  3.491600E+00
    4.8250  2.166093E-01  3.661700E+00
    4.8750  2.404224E-01  3.854433E+00
    4.9250  2.423286E-01  4.052700E+00
    4.9750  2.408760E-01  4.253800E+00
    5.0250  2.625621E-01  4.477433E+00
    5.0750  2.754472E-01  4.716733E+00
    5.1250  2.997085E-01  4.982267E+00
    5.1750  2.980410E-01  5.251500E+00
    5.2250  3.146616E-01  5.541267E+00
    5.2750  3.250258E-01  5.846333E+00
    5.3250  3.398609E-01  6.171400E+00
    5.3750  3.403058E-01  6.503033E+00
    5.4250  3.424226E-01  6.842967E+00
    5.4750  3.280541E-01  7.174667E+00
    5.5250  3.551638E-01  7.540367E+00
    5.5750  3.549899E-01  7.912533E+00
    5.6250  3.604816E-01  8.297267E+00
    5.6750  3.709111E-01  8.700200E+00
    5.7250  3.636466E-01  9.102233E+00
    5.7750  3.754222E-01  9.524567E+00
    5.8250  3.881977E-01  9.968867E+00
    5.8750  3.808739E-01  1.041230E+01
    5.9250  3.853667E-01  1.086863E+01
    5.9750  3.895733E-01  1.133777E+01
    6.0250  4.164822E-01  1.184773E+01
    6.0750  4.192140E-01  1.236960E+01
    6.1250  4.355252E-01  1.292073E+01
    6.1750  4.373901E-01  1.348330E+01
    6.2250  4.354158E-01  1.405243E+01
    6.2750  4.397480E-01  1.463650E+01
    6.3250  4.447539E-01  1.523667E+01
    6.3750  4.400661E-01  1.583993E+01
    6.4250  4.394437E-01  1.645183E+01
    6.4750  4.381279E-01  1.707143E+01
    6.5250  4.481275E-01  1.771500E+01
    6.5750  4.523559E-01  1.837463E+01
    6.6250  4.597382E-01  1.905527E+01
    6.6750  4.708639E-01  1.976293E+01
    6.7250  4.785500E-01  2.049297E+01
    6.7750  4.902862E-01  2.125207E+01
    6.8250  5.001433E-01  2.203790E+01
    6.8750  5.105200E-01  2.285183E+01
    6.9250  5.067601E-01  2.367157E+01
    6.9750  5.047613E-01  2.449990E+01
    7.0250  5.227722E-01  2.537013E+01
    7.0750  5.196736E-01  2.624757E+01
    7.1250  5.055340E-01  2.711323E+01
    7.1750  5.182077E-01  2.801310E+01
    7.2250  5.535222E-01  2.898773E+01
    7.2750  5.427096E-01  2.995660E+01
    7.3250  5.333368E-01  3.092187E+01
    7.3750  5.410644E-01  3.191453E+01
    7.4250  5.403982E-01  3.291947E+01
    7.4750  5.502068E-01  3.395647E+01
    7.5250  5.663744E-01  3.503827E+01
    7.5750  5.615055E-01  3.612507E+01
    7.6250  5.660295E-01  3.723513E+01
    7.6750  5.664459E-01  3.836063E+01
    7.7250  5.656284E-01  3.949920E+01
    7.7750  5.580662E-01  4.063713E+01
    7.8250  5.542012E-01  4.178177E+01
    7.8750  5.770957E-01  4.298897E+01
    7.9250  5.873491E-01  4.423327E+01
    7.9750  5.832081E-01  4.548443E+01
    8.0250  5.782498E-01  4.674057E+01
    8.0750  5.743997E-01  4.800393E+01
    8.1250  5.734444E-01  4.928087E+01
    8.1750  5.950785E-01  5.062233E+01
    8.2250  5.988650E-01  5.198890E+01
    8.2750  6.133981E-01  5.340570E+01
    8.3250  6.210380E-01  5.485753E+01
    8.3750  6.301571E-01  5.634843E+01
    8.4250  6.658168E-01  5.794257E+01
    8.4750  6.808916E-01  5.959220E+01
    8.5250  6.713779E-01  6.123803E+01
    8.5750  6.718500E-01  6.290440E+01
    8.6250  6.631133E-01  6.456833E+01
    8.6750  6.869804E-01  6.631220E+01
    8.7250  6.838155E-01  6.806810E+01
    8.7750  6.960272E-01  6.987590E+01
    8.8250  6.962072E-01  7.170483E+01
    8.8750  7.149074E-01  7.360423E+01
    8.9250  7.032351E-01  7.549373E+01
    8.9750  7.068431E-01  7.741427E+01
    9.0250  7.102069E-01  7.936550E+01
    9.0750  7.128179E-01  8.134567E+01
    9.1250  6.991410E-01  8.330930E+01
    9.1750  7.140105E-01  8.533673E+01
    9.2250  7.270774E-01  8.742383E+01
    9.2750  7.363297E-01  8.956047E+01
    9.3250  7.396146E-01  9.172983E+01
    9.3750  7.582027E-01  9.397763E+01
    9.4250  7.591125E-01  9.625220E+01
    9.4750  7.559983E-01  9.854153E+01
    9.5250  7.518182E-01  1.008423E+02
    9.5750  7.485463E-01  1.031572E+02
    9.6250  7.484271E-01  1.054959E+02
    9.6750  7.432451E-01  1.078426E+02
    9.7250  7.568543E-01  1.102571E+02
    9.7750  7.536199E-01  1.126860E+02
    9.8250  7.546092E-01  1.151431E+02
    9.8750  7.412208E-01  1.175812E+02
    9.9250  7.566946E-01  1.200955E+02
    9.9750  7.431488E-01  1.225897E+02
   10.0250  7.495499E-01  1.251306E+02
   10.0750  7.589711E-01  1.277293E+02
   10.1250  7.547614E-01  1.303392E+02
   10.1750  7.646957E-01  1.330097E+02
   10.2250  7.549952E-01  1.356722E+02
   10.2750  7.523547E-01  1.383515E+02
   10.3250  7.559220E-01  1.410697E+02
   10.3750  7.619471E-01  1.438362E+02
   10.4250  7.566199E-01  1.466099E+02
   10.4750  7.616354E-01  1.494289E+02
   10.5250  7.732391E-01  1.523181E+02
   10.5750  7.790139E-01  1.552567E+02
   10.6250  7.954130E-01  1.582856E+02
   10.6750  7.863577E-01  1.613082E+02
   10.7250  7.980294E-01  1.644045E+02
   10.7750  8.134004E-01  1.675899E+02
   10.8250  8.244990E-01  1.708489E+02
   10.8750  8.359193E-01  1.741835E+02
   10.9250  8.494479E-01  1.776034E+02
   10.9750  8.468042E-01  1.810439E+02
   11.0250  8.450595E-01  1.845087E+02
   11.0750  8.462686E-01  1.880099E+02
   11.1250  8.397407E-01  1.915156E+02
   11.1750  8.365716E-01  1.950396E+02
   11.2250  8.409782E-01  1.986138E+02
   11.2750  8.509564E-01  2.022628E+02
   11.3250  8.575438E-01  2.059727E+02
   11.3750  8.492272E-01  2.096791E+02
   11.4250  8.481168E-01  2.134133E+02
   11.4750  8.572827E-01  2.172210E+02
   11.5250  8.626645E-01  2.210860E+02
   11.5750  8.590115E-01  2.249682E+02
   11.6250  8.731879E-01  2.289485E+02
   11.6750  8.788617E-01  2.329893E+02
   11.7250  8.752997E-01  2.370482E+02
   11.7750  8.720871E-01  2.411268E+02
   11.8250  8.790741E-01  2.452731E+02
   11.8750  8.813718E-01  2.494654E+02
   11.9250  8.860323E-01  2.537155E+02
   11.9750  8.989435E-01  2.580637E+02
   12.0250  9.081654E-01  2.624933E+02
   12.0750  9.205725E-01  2.670209E+02
   12.1250  9.179363E-01  2.715729E+02
   12.1750  9.100523E-01  2.761231E+02
   12.2250  9.084421E-01  2.807027E+02
   12.2750  9.090841E-01  2.853231E+02
   12.3250  9.121058E-01  2.899966E+02
   12.3750  9.171656E-01  2.947343E+02
   12.4250  9.193878E-01  2.995220E+02
   12.4750  9.311396E-01  3.044099E+02
   12.5250  9.241675E-01  3.093002E+02
   12.5750  9.321812E-01  3.142724E+02
   12.6250  9.281292E-01  3.192624E+02
   12.6750  9.240812E-01  3.242700E+02
   12.7250  9.227228E-01  3.293099E+02
   12.7750  9.304886E-01  3.344321E+02
   12.8250  9.297422E-01  3.395904E+02
   12.8750  9.404253E-01  3.448488E+02
   12.9250  9.309569E-01  3.500947E+02
   12.9750  9.449217E-01  3.554605E+02
   13.0250  9.526745E-01  3.609122E+02
   13.0750  9.714838E-01  3.665143E+02
   13.1250  9.803134E-01  3.722106E+02
   13.1750  9.753918E-01  3.779215E+02
   13.2250  9.773418E-01  3.836874E+02
   13.2750  9.891491E-01  3.895672E+02
   13.3250  9.911624E-01  3.955034E+02
   13.3750  1.006619E+00  4.015775E+02
   13.4250  1.017147E+00  4.077611E+02
   13.4750  1.020600E+00  4.140120E+02
   13.5250  1.019357E+00  4.203017E+02
   13.5750  1.028389E+00  4.266941E+02
   13.6250  1.030378E+00  4.331462E+02
   13.6750  1.026017E+00  4.396182E+02
   13.7250  1.031964E+00  4.461754E+02
   13.7750  1.021950E+00  4.527164E+02
   13.8250  1.021520E+00  4.593021E+02
   13.8750  1.029000E+00  4.659842E+02
   13.9250  1.031414E+00  4.727303E+02
   13.9750  1.031288E+00  4.795241E+02
   14.0250  1.024596E+00  4.863222E+02
   14.0750  1.034684E+00  4.932363E+02
   14.1250  1.041126E+00  5.002429E+02
   14.1750  1.045199E+00  5.073268E+02
   14.2250  1.041376E+00  5.144347E+02
   14.2750  1.038638E+00  5.215739E+02
   14.3250  1.046902E+00  5.288203E+02
   14.3750  1.041755E+00  5.360815E+02
   14.4250  1.061388E+00  5.435312E+02
   14.4750  1.047064E+00  5.509313E+02
   14.5250  1.056557E+00  5.584502E+02
   14.5750  1.050446E+00  5.659772E+02
   14.6250  1.049439E+00  5.735486E+02
   14.6750  1.038188E+00  5.810902E+02
   14.7250  1.043920E+00  5.887251E+02
   14.7750  1.045771E+00  5.964257E+02
   14.8250  1.057209E+00  6.042632E+02
   14.8750  1.064401E+00  6.122074E+02
   14.9250  1.065537E+00  6.202136E+02
   14.9750  1.064748E+00  6.282675E+02
   15.0250  1.057429E+00  6.363196E+02
   15.0750  1.059392E+00  6.444405E+02
   15.1250  1.060607E+00  6.526246E+02
   15.1750  1.042845E+00  6.607250E+02
   15.2250  1.053461E+00  6.689619E+02
   15.2750  1.054974E+00  6.772649E+02
   15.3250  1.054909E+00  6.856218E+02
   15.3750  1.051529E+00  6.940063E+02
   15.4250  1.052606E+00  7.024542E+02
   15.4750  1.057093E+00  7.109931E+02
   15.5250  1.054735E+00  7.195681E+02
   15.5750  1.050972E+00  7.281677E+02
   15.6250  1.054077E+00  7.368481E+02
   15.6750  1.059215E+00  7.456268E+02
   15.7250  1.062989E+00  7.544930E+02
   15.7750  1.069628E+00  7.634715E+02
   15.8250  1.064880E+00  7.724668E+02
   15.8750  1.077040E+00  7.816224E+02
   15.9250  1.072692E+00  7.907986E+02
   15.9750  1.071161E+00  8.000194E+02

g(r)  :OS      OS      

        r      g(r)         n(r)

    4.1250  0.000000E+00  0.000000E+00
    4.1750  0.000000E+00  0.000000E+00
    4.2250  1.083273E+00  1.600000E-03
    4.2750  2.336597E+00  5.133333E-03
    4.3250  2.067518E+00  8.333333E-03
    4.3750  2.104720E+00  1.166667E-02
    4.4250  2.057425E+00  1.500000E-02
    4.4750  1.046087E+00  1.673333E-02
    4.5250  1.534646E+00  1.933333E-02
    4.5750  3.849450E-01  2.000000E-02
    4.6250  3.088669E+00  2.546667E-02
    4.6750  4.423836E+00  3.346667E-02
    4.7250  4.438974E+00  4.166667E-02
    4.7750  4.770547E+00  5.066667E-02
    4.8250  7.683155E+00  6.546667E-02
    4.8750  4.848062E+00  7.500000E-02
    4.9250  5.879525E+00  8.680000E-02
    4.9750  9.277697E+00  1.058000E-01
    5.0250  1.078515E+01  1.283333E-01
    5.0750  2.052170E+01  1.720667E-01
    5.1250  2.368161E+01  2.235333E-01
    5.1750  1.922480E+01  2.661333E-01
    5.2250  1.785520E+01  3.064667E-01
    5.2750  1.627321E+01  3.439333E-01
    5.3250  1.926515E+01  3.891333E-01
    5.3750  2.060960E+01  4.384000E-01
    5.4250  1.672722E+01  4.791333E-01
    5.4750  1.851966E+01  5.250667E-01
    5.5250  2.029757E+01  5.763333E-01
    5.5750  1.280618E+01  6.092667E-01
    5.6250  1.408194E+01  6.461333E-01
    5.6750  1.603647E+01  6.888667E-01
    5.7250  1.504468E+01  7.296667E-01
    5.7750  2.109078E+01  7.878667E-01
    5.8250  2.590690E+01  8.606000E-01
    5.8750  3.207403E+01  9.522000E-01
    5.9250  3.786952E+01  1.062200E+00
    5.9750  3.825397E+01  1.175200E+00
    6.0250  4.379209E+01  1.306733E+00
    6.0750  4.855399E+01  1.455000E+00
    6.1250  4.342619E+01  1.589800E+00
    6.1750  3.399890E+01  1.697067E+00
    6.2250  2.910933E+01  1.790400E+00
    6.2750  2.756278E+01  1.880200E+00
    6.3250  2.034151E+01  1.947533E+00
    6.3750  1.159788E+01  1.986533E+00
    6.4250  6.206744E+00  2.007733E+00
    6.4750  3.901212E+00  2.021267E+00
    6.5250  4.371535E+00  2.036667E+00
    6.5750  4.454403E+00  2.052600E+00
    6.6250  2.698539E+00  2.062400E+00
    6.6750  5.171858E+00  2.081467E+00
    6.7250  3.010823E+00  2.092733E+00
    6.7750  2.878780E+00  2.103667E+00
    6.8250  6.970805E+00  2.130533E+00
    6.8750  7.142527E+00  2.158467E+00
    6.9250  5.191612E+00  2.179067E+00
    6.9750  5.432112E+00  2.200933E+00
    7.0250  6.367300E+00  2.226933E+00
    7.0750  8.354065E+00  2.261533E+00
    7.1250  7.396045E+00  2.292600E+00
    7.1750  7.653295E+00  2.325200E+00
    7.2250  8.412096E+00  2.361533E+00
    7.2750  5.815417E+00  2.387000E+00
    7.3250  8.003785E+00  2.422533E+00
    7.3750  1.062132E+01  2.470333E+00
    7.4250  9.689562E+00  2.514533E+00
    7.4750  9.791087E+00  2.559800E+00
    7.5250  9.874839E+00  2.606067E+00
    7.5750  1.023637E+01  2.654667E+00
    7.6250  1.046287E+01  2.705000E+00
    7.6750  1.185894E+01  2.762800E+00
    7.7250  9.491656E+00  2.809667E+00
    7.7750  9.250013E+00  2.855933E+00
    7.8250  7.763669E+00  2.895267E+00
    7.8750  7.860279E+00  2.935600E+00
    7.9250  7.479176E+00  2.974467E+00
    7.9750  9.501313E+00  3.024467E+00
    8.0250  8.194736E+00  3.068133E+00
    8.0750  8.847320E+00  3.115867E+00
    8.1250  8.128516E+00  3.160267E+00
    8.1750  8.246400E+00  3.205867E+00
    8.2250  9.909126E+00  3.261333E+00
    8.2750  7.954164E+00  3.306400E+00
    8.3250  6.324326E+00  3.342667E+00
    8.3750  5.904422E+00  3.376933E+00
    8.4250  7.435075E+00  3.420600E+00
    8.4750  6.618453E+00  3.459933E+00
    8.5250  3.603118E+00  3.481600E+00
    8.5750  4.426873E+00  3.508533E+00
    8.6250  5.859533E+00  3.544600E+00
    8.6750  7.794287E+00  3.593133E+00
    8.7250  7.239511E+00  3.638733E+00
    8.7750  4.813351E+00  3.669400E+00
    8.8250  5.007258E+00  3.701667E+00
    8.8750  4.183797E+00  3.728933E+00
    8.9250  5.765573E+00  3.766933E+00
    8.9750  6.761792E+00  3.812000E+00
    9.0250  6.756322E+00  3.857533E+00
    9.0750  7.073414E+00  3.905733E+00
    9.1250  7.431553E+00  3.956933E+00
    9.1750  4.967516E+00  3.991533E+00
    9.2250  3.910222E+00  4.019067E+00
    9.2750  4.926540E+00  4.054133E+00
    9.3250  5.300081E+00  4.092267E+00
    9.3750  5.812070E+00  4.134533E+00
    9.4250  6.276644E+00  4.180667E+00
    9.4750  6.497769E+00  4.228933E+00
    9.5250  6.554062E+00  4.278133E+00
    9.5750  3.849291E+00  4.307333E+00
    9.6250  3.974650E+00  4.337800E+00
    9.6750  3.425826E+00  4.364333E+00
    9.7250  3.561076E+00  4.392200E+00
    9.7750  3.786143E+00  4.422133E+00
    9.8250  3.505649E+00  4.450133E+00
    9.8750  4.610460E+00  4.487333E+00
    9.9250  4.269664E+00  4.522133E+00
    9.9750  3.975941E+00  4.554867E+00
   10.0250  4.008533E+00  4.588200E+00
   10.0750  4.635611E+00  4.627133E+00
   10.1250  4.943618E+00  4.669067E+00
   10.1750  4.957411E+00  4.711533E+00
   10.2250  4.654731E+00  4.751800E+00
   10.2750  4.975861E+00  4.795267E+00
   10.3250  5.086503E+00  4.840133E+00
   10.3750  4.618418E+00  4.881267E+00
   10.4250  3.217525E+00  4.910200E+00
   10.4750  1.402522E+00  4.922933E+00
   10.5250  1.563791E+00  4.937267E+00
   10.5750  1.289664E+00  4.949200E+00
   10.6250  7.279921E-01  4.956000E+00
   10.6750  9.545142E-01  4.965000E+00
   10.7250  4.973340E-01  4.969733E+00
   10.7750  4.510900E-01  4.974067E+00
   10.8250  5.431949E-01  4.979333E+00
   10.8750  3.678914E-01  4.982933E+00
   10.9250  6.008022E-01  4.988867E+00
   10.9750  5.418267E-01  4.994267E+00
   11.0250  4.242357E-01  4.998533E+00
   11.0750  1.445172E-01  5.000000E+00
   11.1250  0.000000E+00  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :OS      Oe      

        r      g(r)         n(r)

    2.7250  0.000000E+00  0.000000E+00
    2.7750  0.000000E+00  0.000000E+00
    2.8250  7.571784E-01  5.000000E-04
    2.8750  5.848571E-01  9.000000E-04
    2.9250  8.946362E-01  1.533333E-03
    2.9750  1.593085E+00  2.700000E-03
    3.0250  3.125740E+00  5.066667E-03
    3.0750  1.065112E+00  5.900000E-03
    3.1250  5.362771E-01  6.333333E-03
    3.1750  5.594828E-01  6.800000E-03
    3.2250  6.197364E-01  7.333333E-03
    3.2750  2.629191E+00  9.666667E-03
    3.3250  1.566867E+00  1.110000E-02
    3.3750  8.488108E-01  1.190000E-02
    3.4250  4.807888E-01  1.236667E-02
    3.4750  2.301904E+00  1.466667E-02
    3.5250  5.090135E+00  1.990000E-02
    3.5750  4.034651E+00  2.416667E-02
    3.6250  4.138720E+00  2.866667E-02
    3.6750  4.325156E+00  3.350000E-02
    3.7250  4.819524E+00  3.903333E-02
    3.7750  6.445398E+00  4.663333E-02
    3.8250  6.911301E+00  5.500000E-02
    3.8750  6.197517E+00  6.270000E-02
    3.9250  8.341817E+00  7.333333E-02
    3.9750  7.036947E+00  8.253333E-02
    4.0250  8.628738E+00  9.410000E-02
    4.0750  7.108241E+00  1.038667E-01
    4.1250  7.978695E+00  1.151000E-01
    4.1750  1.053906E+01  1.303000E-01
    4.2250  1.198371E+01  1.480000E-01
    4.2750  1.183729E+01  1.659000E-01
    4.3250  1.050988E+01  1.821667E-01
    4.3750  1.134444E+01  2.001333E-01
    4.4250  1.220053E+01  2.199000E-01
    4.4750  7.020855E+00  2.315333E-01
    4.5250  1.029000E+01  2.489667E-01
    4.5750  1.289566E+01  2.713000E-01
    4.6250  1.747734E+01  3.022333E-01
    4.6750  1.996256E+01  3.383333E-01
    4.7250  2.795110E+01  3.899667E-01
    4.7750  2.593764E+01  4.389000E-01
    4.8250  2.678722E+01  4.905000E-01
    4.8750  2.802044E+01  5.456000E-01
    4.9250  3.139068E+01  6.086000E-01
    4.9750  3.483206E+01  6.799333E-01
    5.0250  4.247051E+01  7.686667E-01
    5.0750  4.196626E+01  8.581000E-01
    5.1250  3.642735E+01  9.372667E-01
    5.1750  3.258289E+01  1.009467E+00
    5.2250  3.352645E+01  1.085200E+00
    5.2750  3.428378E+01  1.164133E+00
    5.3250  3.101462E+01  1.236900E+00
    5.3750  3.314548E+01  1.316133E+00
    5.4250  3.146963E+01  1.392767E+00
    5.4750  2.858587E+01  1.463667E+00
    5.5250  2.555012E+01  1.528200E+00
    5.5750  2.620859E+01  1.595600E+00
    5.6250  2.514632E+01  1.661433E+00
    5.6750  2.473018E+01  1.727333E+00
    5.7250  2.111663E+01  1.784600E+00
    5.7750  1.987076E+01  1.839433E+00
    5.8250  1.890182E+01  1.892500E+00
    5.8750  1.781112E+01  1.943367E+00
    5.9250  1.937083E+01  1.999633E+00
    5.9750  1.846121E+01  2.054167E+00
    6.0250  1.706848E+01  2.105433E+00
    6.0750  1.544602E+01  2.152600E+00
    6.1250  1.491567E+01  2.198900E+00
    6.1750  1.290014E+01  2.239600E+00
    6.2250  1.542794E+01  2.289067E+00
    6.2750  1.420087E+01  2.335333E+00
    6.3250  1.396717E+01  2.381567E+00
    6.3750  1.633615E+01  2.436500E+00
    6.4250  1.206216E+01  2.477700E+00
    6.4750  1.371189E+01  2.525267E+00
    6.5250  1.694680E+01  2.584967E+00
    6.5750  1.770578E+01  2.648300E+00
    6.6250  2.027576E+01  2.721933E+00
    6.6750  1.804725E+01  2.788467E+00
    6.7250  1.826982E+01  2.856833E+00
    6.7750  1.900170E+01  2.929000E+00
    6.8250  1.451242E+01  2.984933E+00
    6.8750  1.480497E+01  3.042833E+00
    6.9250  1.746499E+01  3.112133E+00
    6.9750  2.218388E+01  3.201433E+00
    7.0250  1.787742E+01  3.274433E+00
    7.0750  1.890530E+01  3.352733E+00
    7.1250  1.624432E+01  3.420967E+00
    7.1750  1.809245E+01  3.498033E+00
    7.2250  1.803584E+01  3.575933E+00
    7.2750  1.659373E+01  3.648600E+00
    7.3250  1.469363E+01  3.713833E+00
    7.3750  1.317666E+01  3.773133E+00
    7.4250  1.443204E+01  3.838967E+00
    7.4750  1.441986E+01  3.905633E+00
    7.5250  1.314748E+01  3.967233E+00
    7.5750  1.070676E+01  4.018067E+00
    7.6250  1.147451E+01  4.073267E+00
    7.6750  1.043642E+01  4.124133E+00
    7.7250  7.182875E+00  4.159600E+00
    7.7750  8.850157E+00  4.203867E+00
    7.8250  7.263636E+00  4.240667E+00
    7.8750  6.664997E+00  4.274867E+00
    7.9250  5.785777E+00  4.304933E+00
    7.9750  5.675451E+00  4.334800E+00
    8.0250  7.731827E+00  4.376000E+00
    8.0750  7.469560E+00  4.416300E+00
    8.1250  5.986542E+00  4.449000E+00
    8.1750  5.238393E+00  4.477967E+00
    8.2250  5.734668E+00  4.510067E+00
    8.2750  6.095055E+00  4.544600E+00
    8.3250  5.586101E+00  4.576633E+00
    8.3750  5.490882E+00  4.608500E+00
    8.4250  5.352119E+00  4.639933E+00
    8.4750  5.664947E+00  4.673600E+00
    8.5250  4.872524E+00  4.702900E+00
    8.5750  4.744643E+00  4.731767E+00
    8.6250  4.402773E+00  4.758867E+00
    8.6750  4.186217E+00  4.784933E+00
    8.7250  3.048215E+00  4.804133E+00
    8.7750  4.248306E+00  4.831200E+00
    8.8250  2.720886E+00  4.848733E+00
    8.8750  1.856624E+00  4.860833E+00
    8.9250  1.183460E+00  4.868633E+00
    8.9750  1.240329E+00  4.876900E+00
    9.0250  1.033727E+00  4.883867E+00
    9.0750  1.046826E+00  4.891000E+00
    9.1250  7.983113E-01  4.896500E+00
    9.1750  9.475609E-01  4.903100E+00
    9.2250  1.074601E+00  4.910667E+00
    9.2750  1.367443E+00  4.920400E+00
    9.3250  6.625101E-01  4.925167E+00
    9.3750  1.150497E+00  4.933533E+00
    9.4250  1.473923E+00  4.944367E+00
    9.4750  1.521232E+00  4.955667E+00
    9.5250  1.394292E+00  4.966133E+00
    9.5750  8.348918E-01  4.972467E+00
    9.6250  5.435791E-01  4.976633E+00
    9.6750  5.035448E-01  4.980533E+00
    9.7250  5.835735E-01  4.985100E+00
    9.7750  3.162146E-01  4.987600E+00
    9.8250  3.130044E-01  4.990100E+00
    9.8750  2.065618E-01  4.991767E+00
    9.9250  3.926128E-01  4.994967E+00
    9.9750  2.024410E-01  4.996633E+00
   10.0250  2.164608E-01  4.998433E+00
   10.0750  1.309719E-01  4.999533E+00
   10.1250  5.501641E-02  5.000000E+00
   10.1750  0.000000E+00  5.000000E+00
   10.2250  0.000000E+00  5.000000E+00
   10.2750  0.000000E+00  5.000000E+00
   10.3250  0.000000E+00  5.000000E+00
   10.3750  0.000000E+00  5.000000E+00
   10.4250  0.000000E+00  5.000000E+00
   10.4750  0.000000E+00  5.000000E+00
   10.5250  0.000000E+00  5.000000E+00
   10.5750  0.000000E+00  5.000000E+00
   10.6250  0.000000E+00  5.000000E+00
   10.6750  0.000000E+00  5.000000E+00
   10.7250  0.000000E+00  5.000000E+00
   10.7750  0.000000E+00  5.000000E+00
   10.8250  0.000000E+00  5.000000E+00
   10.8750  0.000000E+00  5.000000E+00
   10.9250  0.000000E+00  5.000000E+00
   10.9750  0.000000E+00  5.000000E+00
   11.0250  0.000000E+00  5.000000E+00
   11.0750  0.000000E+00  5.000000E+00
   11.1250  0.000000E+00  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  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  1.010970E+00  5.333333E-04
    2.5750  1.093603E+00  1.133333E-03
    2.6250  2.280069E+00  2.433333E-03
    2.6750  7.825458E+00  7.066667E-03
    2.7250  1.963896E+01  1.913333E-02
    2.7750  2.636623E+01  3.593333E-02
    2.8250  3.038809E+01  5.600000E-02
    2.8750  3.835688E+01  8.223333E-02
    2.9250  4.510850E+01  1.141667E-01
    2.9750  4.624499E+01  1.480333E-01
    3.0250  4.204341E+01  1.798667E-01
    3.0750  4.703536E+01  2.166667E-01
    3.1250  3.506427E+01  2.450000E-01
    3.1750  4.216103E+01  2.801667E-01
    3.2250  3.753279E+01  3.124667E-01
    3.2750  3.327805E+01  3.420000E-01
    3.3250  3.396093E+01  3.730667E-01
    3.3750  2.903640E+01  4.004333E-01
    3.4250  2.397076E+01  4.237000E-01
    3.4750  2.422003E+01  4.479000E-01
    3.5250  2.840101E+01  4.771000E-01
    3.5750  3.814006E+01  5.174333E-01
    3.6250  3.212873E+01  5.523667E-01
    3.6750  3.003746E+01  5.859333E-01
    3.7250  3.089141E+01  6.214000E-01
    3.7750  2.722333E+01  6.535000E-01
    3.8250  2.657134E+01  6.856667E-01
    3.8750  1.942425E+01  7.098000E-01
    3.9250  2.303806E+01  7.391667E-01
    3.9750  1.991252E+01  7.652000E-01
    4.0250  2.195728E+01  7.946333E-01
    4.0750  1.669102E+01  8.175667E-01
    4.1250  1.269015E+01  8.354333E-01
    4.1750  1.187955E+01  8.525667E-01
    4.2250  1.119382E+01  8.691000E-01
    4.2750  1.199159E+01  8.872333E-01
    4.3250  1.171594E+01  9.053667E-01
    4.3750  1.622739E+01  9.310667E-01
    4.4250  1.349671E+01  9.529333E-01
    4.4750  1.553037E+01  9.786667E-01
    4.5250  1.424466E+01  1.002800E+00
    4.5750  1.150985E+01  1.022733E+00
    4.6250  1.188384E+01  1.043767E+00
    4.6750  1.063564E+01  1.063000E+00
    4.7250  1.039370E+01  1.082200E+00
    4.7750  1.288048E+01  1.106500E+00
    4.8250  7.458198E+00  1.120867E+00
    4.8750  4.712452E+00  1.130133E+00
    4.9250  4.816560E+00  1.139800E+00
    4.9750  3.727356E+00  1.147433E+00
    5.0250  3.015375E+00  1.153733E+00
    5.0750  1.658003E+00  1.157267E+00
    5.1250  1.564459E+00  1.160667E+00
    5.1750  3.128920E+00  1.167600E+00
    5.2250  1.888814E+00  1.171867E+00
    5.2750  2.533641E+00  1.177700E+00
    5.3250  2.472077E+00  1.183500E+00
    5.3750  2.440243E+00  1.189333E+00
    5.4250  3.750621E+00  1.198467E+00
    5.4750  4.327527E+00  1.209200E+00
    5.5250  5.305346E+00  1.222600E+00
    5.5750  6.740093E+00  1.239933E+00
    5.6250  4.660026E+00  1.252133E+00
    5.6750  5.166194E+00  1.265900E+00
    5.7250  5.076349E+00  1.279667E+00
    5.7750  5.858551E+00  1.295833E+00
    5.8250  5.853391E+00  1.312267E+00
    5.8750  8.111882E+00  1.335433E+00
    5.9250  8.790319E+00  1.360967E+00
    5.9750  6.251534E+00  1.379433E+00
    6.0250  5.682096E+00  1.396500E+00
    6.0750  4.606516E+00  1.410567E+00
    6.1250  3.887310E+00  1.422633E+00
    6.1750  4.025352E+00  1.435333E+00
    6.2250  2.910933E+00  1.444667E+00
    6.2750  3.867383E+00  1.457267E+00
    6.3250  5.790282E+00  1.476433E+00
    6.3750  5.095135E+00  1.493567E+00
    6.4250  3.766986E+00  1.506433E+00
    6.4750  2.873060E+00  1.516400E+00
    6.5250  3.084676E+00  1.527267E+00
    6.5750  4.976257E+00  1.545067E+00
    6.6250  5.185968E+00  1.563900E+00
    6.6750  5.054316E+00  1.582533E+00
    6.7250  3.865969E+00  1.597000E+00
    6.7750  4.800892E+00  1.615233E+00
    6.8250  6.157833E+00  1.638967E+00
    6.8750  6.673745E+00  1.665067E+00
    6.9250  5.872066E+00  1.688367E+00
    6.9750  6.574843E+00  1.714833E+00
    7.0250  5.542816E+00  1.737467E+00
    7.0750  7.146830E+00  1.767067E+00
    7.1250  7.919800E+00  1.800333E+00
    7.1750  7.003782E+00  1.830167E+00
    7.2250  7.246751E+00  1.861467E+00
    7.2750  5.335873E+00  1.884833E+00
    7.3250  8.957332E+00  1.924600E+00
    7.3750  8.865916E+00  1.964500E+00
    7.4250  8.213475E+00  2.001967E+00
    7.4750  9.711778E+00  2.046867E+00
    7.5250  6.410108E+00  2.076900E+00
    7.5750  7.863327E+00  2.114233E+00
    7.6250  8.709820E+00  2.156133E+00
    7.6750  8.186363E+00  2.196033E+00
    7.7250  9.808945E+00  2.244467E+00
    7.7750  9.556570E+00  2.292267E+00
    7.8250  8.796632E+00  2.336833E+00
    7.8750  9.185483E+00  2.383967E+00
    7.9250  1.058374E+01  2.438967E+00
    7.9750  1.287745E+01  2.506733E+00
    8.0250  1.134126E+01  2.567167E+00
    8.0750  1.147310E+01  2.629067E+00
    8.1250  1.141776E+01  2.691433E+00
    8.1750  9.910147E+00  2.746233E+00
    8.2250  9.849576E+00  2.801367E+00
    8.2750  8.948434E+00  2.852067E+00
    8.3250  8.759890E+00  2.902300E+00
    8.3750  7.840015E+00  2.947800E+00
    8.4250  6.827783E+00  2.987900E+00
    8.4750  6.567974E+00  3.026933E+00
    8.5250  5.742816E+00  3.061467E+00
    8.5750  5.539070E+00  3.095167E+00
    8.6250  5.469620E+00  3.128833E+00
    8.6750  5.069498E+00  3.160400E+00
    8.7250  4.508818E+00  3.188800E+00
    8.7750  4.122740E+00  3.215067E+00
    8.8250  4.112366E+00  3.241567E+00
    8.8750  3.580266E+00  3.264900E+00
    8.9250  3.960038E+00  3.291000E+00
    8.9750  5.301405E+00  3.326333E+00
    9.0250  4.941117E+00  3.359633E+00
    9.0750  4.676476E+00  3.391500E+00
    9.1250  5.631723E+00  3.430300E+00
    9.1750  5.661437E+00  3.469733E+00
    9.2250  5.628637E+00  3.509367E+00
    9.2750  4.964004E+00  3.544700E+00
    9.3250  5.100864E+00  3.581400E+00
    9.3750  4.794499E+00  3.616267E+00
    9.4250  7.455783E+00  3.671067E+00
    9.4750  7.161906E+00  3.724267E+00
    9.5250  6.895975E+00  3.776033E+00
    9.5750  5.738783E+00  3.819567E+00
    9.6250  5.892397E+00  3.864733E+00
    9.6750  5.724056E+00  3.909067E+00
    9.7250  5.388471E+00  3.951233E+00
    9.7750  3.959007E+00  3.982533E+00
    9.8250  3.822827E+00  4.013067E+00
    9.8750  3.288464E+00  4.039600E+00
    9.9250  3.439452E+00  4.067633E+00
    9.9750  3.785647E+00  4.098800E+00
   10.0250  4.080687E+00  4.132733E+00
   10.0750  2.944883E+00  4.157467E+00
   10.1250  3.552488E+00  4.187600E+00
   10.1750  2.891174E+00  4.212367E+00
   10.2250  3.036364E+00  4.238633E+00
   10.2750  2.667275E+00  4.261933E+00
   10.3250  2.913591E+00  4.287633E+00
   10.3750  2.784525E+00  4.312433E+00
   10.4250  3.161923E+00  4.340867E+00
   10.4750  3.084080E+00  4.368867E+00
   10.5250  2.302045E+00  4.389967E+00
   10.5750  2.269521E+00  4.410967E+00
   10.6250  2.151859E+00  4.431067E+00
   10.6750  2.262552E+00  4.452400E+00
   10.7250  2.097909E+00  4.472367E+00
   10.7750  3.220089E+00  4.503300E+00
   10.8250  3.348556E+00  4.535767E+00
   10.8750  3.447279E+00  4.569500E+00
   10.9250  3.749951E+00  4.606533E+00
   10.9750  3.167345E+00  4.638100E+00
   11.0250  2.906677E+00  4.667333E+00
   11.0750  3.041431E+00  4.698200E+00
   11.1250  2.864422E+00  4.727533E+00
   11.1750  2.122684E+00  4.749467E+00
   11.2250  1.796876E+00  4.768200E+00
   11.2750  1.933086E+00  4.788533E+00
   11.3250  2.217598E+00  4.812067E+00
   11.3750  1.877453E+00  4.832167E+00
   11.4250  1.682049E+00  4.850333E+00
   11.4750  1.768385E+00  4.869600E+00
   11.5250  1.480105E+00  4.885867E+00
   11.5750  9.471594E-01  4.896367E+00
   11.6250  9.569155E-01  4.907067E+00
   11.6750  1.096515E+00  4.919433E+00
   11.7250  1.175096E+00  4.932800E+00
   11.7750  1.141893E+00  4.945900E+00
   11.8250  1.348336E+00  4.961500E+00
   11.8750  8.827664E-01  4.971800E+00
   11.9250  9.632005E-01  4.983133E+00
   11.9750  6.770497E-01  4.991167E+00
   12.0250  2.646720E-01  4.994333E+00
   12.0750  1.270978E-01  4.995867E+00
   12.1250  1.781166E-01  4.998033E+00
   12.1750  1.603499E-01  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :OS      K       

        r      g(r)         n(r)

    3.7250  0.000000E+00  0.000000E+00
    3.7750  0.000000E+00  0.000000E+00
    3.8250  2.808577E+00  5.666667E-04
    3.8750  6.278004E+00  1.866667E-03
    3.9250  2.353491E+00  2.366667E-03
    3.9750  6.578015E+00  3.800000E-03
    4.0250  1.506921E+01  7.166667E-03
    4.0750  2.940337E+01  1.390000E-02
    4.1250  3.750223E+01  2.270000E-02
    4.1750  1.622461E+01  2.660000E-02
    4.2250  2.058219E+01  3.166667E-02
    4.2750  4.324909E+01  4.256667E-02
    4.3250  5.375547E+01  5.643333E-02
    4.3750  7.652762E+01  7.663333E-02
    4.4250  6.629023E+01  9.453333E-02
    4.4750  9.330294E+01  1.203000E-01
    4.5250  1.070711E+02  1.505333E-01
    4.5750  1.250686E+02  1.866333E-01
    4.6250  1.098361E+02  2.190333E-01
    4.6750  1.100429E+02  2.522000E-01
    4.7250  1.232086E+02  2.901333E-01
    4.7750  7.367845E+01  3.133000E-01
    4.8250  8.306114E+01  3.399667E-01
    4.8750  8.045071E+01  3.663333E-01
    4.9250  6.626922E+01  3.885000E-01
    4.9750  4.150549E+01  4.026667E-01
    5.0250  4.594856E+01  4.186667E-01
    5.0750  5.236788E+01  4.372667E-01
    5.1250  4.343674E+01  4.530000E-01
    5.1750  3.041671E+01  4.642333E-01
    5.2250  1.691079E+01  4.706000E-01
    5.2750  7.470621E+00  4.734667E-01
    5.3250  7.501475E+00  4.764000E-01
    5.3750  1.087651E+01  4.807333E-01
    5.4250  1.199104E+01  4.856000E-01
    5.4750  9.192635E+00  4.894000E-01
    5.5250  6.255557E+00  4.920333E-01
    5.5750  2.955271E+00  4.933000E-01
    5.6250  2.368210E+00  4.943333E-01
    5.6750  2.626878E+00  4.955000E-01
    5.7250  3.097433E+00  4.969000E-01
    5.7750  4.203661E+00  4.988333E-01
    5.8250  3.348187E+00  5.004000E-01
    5.8750  1.400613E+00  5.010667E-01
    5.9250  1.445927E+00  5.017667E-01
    5.9750  3.453013E+00  5.034667E-01
    6.0250  2.929831E+00  5.049333E-01
    6.0750  1.899369E+00  5.059000E-01
    6.1250  7.731666E-01  5.063000E-01
    6.1750  6.339137E-01  5.066333E-01
    6.2250  1.808937E+00  5.076000E-01
    6.2750  3.560448E+00  5.095333E-01
    6.3250  3.383539E+00  5.114000E-01
    6.3750  3.747006E+00  5.135000E-01
    6.4250  4.918552E+00  5.163000E-01
    6.4750  1.066587E+01  5.224667E-01
    6.5250  8.118566E+00  5.272333E-01
    6.5750  1.643842E+01  5.370333E-01
    6.6250  2.114773E+01  5.498333E-01
    6.6750  1.383382E+01  5.583333E-01
    6.7250  1.491159E+01  5.676333E-01
    6.7750  1.964241E+01  5.800667E-01
    6.8250  2.423349E+01  5.956333E-01
    6.8750  2.505851E+01  6.119667E-01
    6.9250  2.651250E+01  6.295000E-01
    6.9750  2.553755E+01  6.466333E-01
    7.0250  3.217935E+01  6.685333E-01
    7.0750  3.829349E+01  6.949667E-01
    7.1250  3.161571E+01  7.171000E-01
    7.1750  4.000373E+01  7.455000E-01
    7.2250  3.398796E+01  7.699667E-01
    7.2750  2.082589E+01  7.851667E-01
    7.3250  2.621878E+01  8.045667E-01
    7.3750  3.461929E+01  8.305333E-01
    7.4250  3.104167E+01  8.541333E-01
    7.4750  2.098090E+01  8.703000E-01
    7.5250  1.878211E+01  8.849667E-01
    7.5750  1.849286E+01  8.996000E-01
    7.6250  1.371953E+01  9.106000E-01
    7.6750  1.050481E+01  9.191333E-01
    7.7250  1.085532E+01  9.280667E-01
    7.7750  1.259548E+01  9.385667E-01
    7.8250  1.357984E+01  9.500333E-01
    7.8750  7.054763E+00  9.560667E-01
    7.9250  9.621581E+00  9.644000E-01
    7.9750  3.648504E+00  9.676000E-01
    8.0250  2.702386E+00  9.700000E-01
    8.0750  2.669024E+00  9.724000E-01
    8.1250  3.368574E+00  9.754667E-01
    8.1750  2.567958E+00  9.778333E-01
    8.2250  2.143801E+00  9.798333E-01
    8.2750  2.223871E+00  9.819333E-01
    8.3250  8.091418E+00  9.896667E-01
    8.3750  4.066469E+00  9.936000E-01
    8.4250  3.643754E+00  9.971667E-01
    8.4750  2.860518E+00  1.000000E+00
    8.5250  0.000000E+00  1.000000E+00
    8.5750  0.000000E+00  1.000000E+00
    8.6250  0.000000E+00  1.000000E+00
    8.6750  0.000000E+00  1.000000E+00
    8.7250  0.000000E+00  1.000000E+00
    8.7750  0.000000E+00  1.000000E+00
    8.8250  0.000000E+00  1.000000E+00
    8.8750  0.000000E+00  1.000000E+00
    8.9250  0.000000E+00  1.000000E+00
    8.9750  0.000000E+00  1.000000E+00
    9.0250  0.000000E+00  1.000000E+00
    9.0750  0.000000E+00  1.000000E+00
    9.1250  0.000000E+00  1.000000E+00
    9.1750  0.000000E+00  1.000000E+00
    9.2250  0.000000E+00  1.000000E+00
    9.2750  0.000000E+00  1.000000E+00
    9.3250  0.000000E+00  1.000000E+00
    9.3750  0.000000E+00  1.000000E+00
    9.4250  0.000000E+00  1.000000E+00
    9.4750  0.000000E+00  1.000000E+00
    9.5250  0.000000E+00  1.000000E+00
    9.5750  0.000000E+00  1.000000E+00
    9.6250  0.000000E+00  1.000000E+00
    9.6750  0.000000E+00  1.000000E+00
    9.7250  0.000000E+00  1.000000E+00
    9.7750  0.000000E+00  1.000000E+00
    9.8250  0.000000E+00  1.000000E+00
    9.8750  0.000000E+00  1.000000E+00
    9.9250  0.000000E+00  1.000000E+00
    9.9750  0.000000E+00  1.000000E+00
   10.0250  0.000000E+00  1.000000E+00
   10.0750  0.000000E+00  1.000000E+00
   10.1250  0.000000E+00  1.000000E+00
   10.1750  0.000000E+00  1.000000E+00
   10.2250  0.000000E+00  1.000000E+00
   10.2750  0.000000E+00  1.000000E+00
   10.3250  0.000000E+00  1.000000E+00
   10.3750  0.000000E+00  1.000000E+00
   10.4250  0.000000E+00  1.000000E+00
   10.4750  0.000000E+00  1.000000E+00
   10.5250  0.000000E+00  1.000000E+00
   10.5750  0.000000E+00  1.000000E+00
   10.6250  0.000000E+00  1.000000E+00
   10.6750  0.000000E+00  1.000000E+00
   10.7250  0.000000E+00  1.000000E+00
   10.7750  0.000000E+00  1.000000E+00
   10.8250  0.000000E+00  1.000000E+00
   10.8750  0.000000E+00  1.000000E+00
   10.9250  0.000000E+00  1.000000E+00
   10.9750  0.000000E+00  1.000000E+00
   11.0250  0.000000E+00  1.000000E+00
   11.0750  0.000000E+00  1.000000E+00
   11.1250  0.000000E+00  1.000000E+00
   11.1750  0.000000E+00  1.000000E+00
   11.2250  0.000000E+00  1.000000E+00
   11.2750  0.000000E+00  1.000000E+00
   11.3250  0.000000E+00  1.000000E+00
   11.3750  0.000000E+00  1.000000E+00
   11.4250  0.000000E+00  1.000000E+00
   11.4750  0.000000E+00  1.000000E+00
   11.5250  0.000000E+00  1.000000E+00
   11.5750  0.000000E+00  1.000000E+00
   11.6250  0.000000E+00  1.000000E+00
   11.6750  0.000000E+00  1.000000E+00
   11.7250  0.000000E+00  1.000000E+00
   11.7750  0.000000E+00  1.000000E+00
   11.8250  0.000000E+00  1.000000E+00
   11.8750  0.000000E+00  1.000000E+00
   11.9250  0.000000E+00  1.000000E+00
   11.9750  0.000000E+00  1.000000E+00
   12.0250  0.000000E+00  1.000000E+00
   12.0750  0.000000E+00  1.000000E+00
   12.1250  0.000000E+00  1.000000E+00
   12.1750  0.000000E+00  1.000000E+00
   12.2250  0.000000E+00  1.000000E+00
   12.2750  0.000000E+00  1.000000E+00
   12.3250  0.000000E+00  1.000000E+00
   12.3750  0.000000E+00  1.000000E+00
   12.4250  0.000000E+00  1.000000E+00
   12.4750  0.000000E+00  1.000000E+00
   12.5250  0.000000E+00  1.000000E+00
   12.5750  0.000000E+00  1.000000E+00
   12.6250  0.000000E+00  1.000000E+00
   12.6750  0.000000E+00  1.000000E+00
   12.7250  0.000000E+00  1.000000E+00
   12.7750  0.000000E+00  1.000000E+00
   12.8250  0.000000E+00  1.000000E+00
   12.8750  0.000000E+00  1.000000E+00
   12.9250  0.000000E+00  1.000000E+00
   12.9750  0.000000E+00  1.000000E+00
   13.0250  0.000000E+00  1.000000E+00
   13.0750  0.000000E+00  1.000000E+00
   13.1250  0.000000E+00  1.000000E+00
   13.1750  0.000000E+00  1.000000E+00
   13.2250  0.000000E+00  1.000000E+00
   13.2750  0.000000E+00  1.000000E+00
   13.3250  0.000000E+00  1.000000E+00
   13.3750  0.000000E+00  1.000000E+00
   13.4250  0.000000E+00  1.000000E+00
   13.4750  0.000000E+00  1.000000E+00
   13.5250  0.000000E+00  1.000000E+00
   13.5750  0.000000E+00  1.000000E+00
   13.6250  0.000000E+00  1.000000E+00
   13.6750  0.000000E+00  1.000000E+00
   13.7250  0.000000E+00  1.000000E+00
   13.7750  0.000000E+00  1.000000E+00
   13.8250  0.000000E+00  1.000000E+00
   13.8750  0.000000E+00  1.000000E+00
   13.9250  0.000000E+00  1.000000E+00
   13.9750  0.000000E+00  1.000000E+00
   14.0250  0.000000E+00  1.000000E+00
   14.0750  0.000000E+00  1.000000E+00
   14.1250  0.000000E+00  1.000000E+00
   14.1750  0.000000E+00  1.000000E+00
   14.2250  0.000000E+00  1.000000E+00
   14.2750  0.000000E+00  1.000000E+00
   14.3250  0.000000E+00  1.000000E+00
   14.3750  0.000000E+00  1.000000E+00
   14.4250  0.000000E+00  1.000000E+00
   14.4750  0.000000E+00  1.000000E+00
   14.5250  0.000000E+00  1.000000E+00
   14.5750  0.000000E+00  1.000000E+00
   14.6250  0.000000E+00  1.000000E+00
   14.6750  0.000000E+00  1.000000E+00
   14.7250  0.000000E+00  1.000000E+00
   14.7750  0.000000E+00  1.000000E+00
   14.8250  0.000000E+00  1.000000E+00
   14.8750  0.000000E+00  1.000000E+00
   14.9250  0.000000E+00  1.000000E+00
   14.9750  0.000000E+00  1.000000E+00
   15.0250  0.000000E+00  1.000000E+00
   15.0750  0.000000E+00  1.000000E+00
   15.1250  0.000000E+00  1.000000E+00
   15.1750  0.000000E+00  1.000000E+00
   15.2250  0.000000E+00  1.000000E+00
   15.2750  0.000000E+00  1.000000E+00
   15.3250  0.000000E+00  1.000000E+00
   15.3750  0.000000E+00  1.000000E+00
   15.4250  0.000000E+00  1.000000E+00
   15.4750  0.000000E+00  1.000000E+00
   15.5250  0.000000E+00  1.000000E+00
   15.5750  0.000000E+00  1.000000E+00
   15.6250  0.000000E+00  1.000000E+00
   15.6750  0.000000E+00  1.000000E+00
   15.7250  0.000000E+00  1.000000E+00
   15.7750  0.000000E+00  1.000000E+00
   15.8250  0.000000E+00  1.000000E+00
   15.8750  0.000000E+00  1.000000E+00
   15.9250  0.000000E+00  1.000000E+00
   15.9750  0.000000E+00  1.000000E+00

g(r)  :OS      OW      

        r      g(r)         n(r)

    2.5750  0.000000E+00  0.000000E+00
    2.6250  0.000000E+00  0.000000E+00
    2.6750  5.523950E-03  6.666667E-04
    2.7250  2.927706E-03  1.033333E-03
    2.7750  1.052267E-02  2.400000E-03
    2.8250  1.163937E-02  3.966667E-03
    2.8750  1.219449E-02  5.666667E-03
    2.9250  7.854103E-03  6.800000E-03
    2.9750  1.295161E-02  8.733333E-03
    3.0250  1.857453E-02  1.160000E-02
    3.0750  3.678687E-02  1.746667E-02
    3.1250  2.448815E-02  2.150000E-02
    3.1750  1.862547E-02  2.466667E-02
    3.2250  3.059410E-02  3.003333E-02
    3.2750  6.246671E-02  4.133333E-02
    3.3250  5.523915E-02  5.163333E-02
    3.3750  8.259075E-02  6.750000E-02
    3.4250  8.356661E-02  8.403333E-02
    3.4750  9.885526E-02  1.041667E-01
    3.5250  7.714294E-02  1.203333E-01
    3.5750  6.541256E-02  1.344333E-01
    3.6250  9.264837E-02  1.549667E-01
    3.6750  1.099002E-01  1.800000E-01
    3.7250  1.163705E-01  2.072333E-01
    3.7750  1.202427E-01  2.361333E-01
    3.8250  1.592666E-01  2.754333E-01
    3.8750  1.741367E-01  3.195333E-01
    3.9250  1.785805E-01  3.659333E-01
    3.9750  1.881256E-01  4.160667E-01
    4.0250  2.000721E-01  4.707333E-01
    4.0750  1.630572E-01  5.164000E-01
    4.1250  1.997815E-01  5.737333E-01
    4.1750  2.096519E-01  6.353667E-01
    4.2250  2.236520E-01  7.027000E-01
    4.2750  2.139090E-01  7.686333E-01
    4.3250  2.322366E-01  8.419000E-01
    4.3750  2.483329E-01  9.220667E-01
    4.4250  2.432573E-01  1.002400E+00
    4.4750  2.548271E-01  1.088467E+00
    4.5250  2.573348E-01  1.177333E+00
    4.5750  2.846012E-01  1.277800E+00
    4.6250  3.296682E-01  1.396733E+00
    4.6750  3.608158E-01  1.529733E+00
    4.7250  3.795122E-01  1.672633E+00
    4.7750  3.706525E-01  1.815167E+00
    4.8250  3.925539E-01  1.969300E+00
    4.8750  4.155624E-01  2.135867E+00
    4.9250  4.410642E-01  2.316300E+00
    4.9750  4.247370E-01  2.493600E+00
    5.0250  3.883054E-01  2.658967E+00
    5.0750  4.007969E-01  2.833067E+00
    5.1250  4.320679E-01  3.024467E+00
    5.1750  3.596270E-01  3.186900E+00
    5.2250  3.664597E-01  3.355633E+00
    5.2750  3.407941E-01  3.515567E+00
    5.3250  3.788237E-01  3.696733E+00
    5.3750  4.311201E-01  3.906800E+00
    5.4250  4.058839E-01  4.108267E+00
    5.4750  4.221747E-01  4.321700E+00
    5.5250  3.937200E-01  4.524400E+00
    5.5750  3.905048E-01  4.729100E+00
    5.6250  4.269437E-01  4.956933E+00
    5.6750  4.457193E-01  5.199033E+00
    5.7250  4.521990E-01  5.449000E+00
    5.7750  4.282242E-01  5.689867E+00
    5.8250  4.558535E-01  5.950733E+00
    5.8750  4.650767E-01  6.221467E+00
    5.9250  4.722923E-01  6.501100E+00
    5.9750  4.592170E-01  6.777600E+00
    6.0250  4.513002E-01  7.053900E+00
    6.0750  4.199102E-01  7.315267E+00
    6.1250  4.500656E-01  7.600033E+00
    6.1750  4.682564E-01  7.901167E+00
    6.2250  4.126173E-01  8.170833E+00
    6.2750  4.250914E-01  8.453133E+00
    6.3250  4.094552E-01  8.729400E+00
    6.3750  4.270329E-01  9.022100E+00
    6.4250  4.431063E-01  9.330600E+00
    6.4750  4.798948E-01  9.669933E+00
    6.5250  5.364904E-01  1.005517E+01
    6.5750  5.296877E-01  1.044137E+01
    6.6250  5.149230E-01  1.082253E+01
    6.6750  5.055965E-01  1.120247E+01
    6.7250  5.542624E-01  1.162523E+01
    6.7750  5.648851E-01  1.206253E+01
    6.8250  5.385212E-01  1.248560E+01
    6.8750  5.406268E-01  1.291657E+01
    6.9250  5.581120E-01  1.336797E+01
    6.9750  5.470110E-01  1.381680E+01
    7.0250  5.456198E-01  1.427093E+01
    7.0750  5.524259E-01  1.473730E+01
    7.1250  5.507732E-01  1.520887E+01
    7.1750  5.122570E-01  1.565363E+01
    7.2250  4.726681E-01  1.606977E+01
    7.2750  4.784419E-01  1.649683E+01
    7.3250  5.015112E-01  1.695067E+01
    7.3750  5.369219E-01  1.744320E+01
    7.4250  5.566381E-01  1.796077E+01
    7.4750  5.910611E-01  1.851777E+01
    7.5250  5.686431E-01  1.906083E+01
    7.5750  5.825507E-01  1.962460E+01
    7.6250  5.701087E-01  2.018363E+01
    7.6750  5.661942E-01  2.074613E+01
    7.7250  5.752496E-01  2.132510E+01
    7.7750  6.003405E-01  2.193717E+01
    7.8250  5.881417E-01  2.254453E+01
    7.8750  5.874534E-01  2.315897E+01
    7.9250  6.210365E-01  2.381680E+01
    7.9750  6.200791E-01  2.448193E+01
    8.0250  6.513826E-01  2.518943E+01
    8.0750  6.496153E-01  2.590383E+01
    8.1250  6.514046E-01  2.662910E+01
    8.1750  6.539889E-01  2.736623E+01
    8.2250  6.580985E-01  2.811710E+01
    8.2750  6.436466E-01  2.886043E+01
    8.3250  6.498264E-01  2.962000E+01
    8.3750  6.624631E-01  3.040367E+01
    8.4250  6.603036E-01  3.119413E+01
    8.4750  6.902336E-01  3.203027E+01
    8.5250  7.208049E-01  3.291377E+01
    8.5750  7.231214E-01  3.381053E+01
    8.6250  7.290819E-01  3.472527E+01
    8.6750  7.267421E-01  3.564767E+01
    8.7250  7.178135E-01  3.656927E+01
    8.7750  7.055755E-01  3.748557E+01
    8.8250  7.159255E-01  3.842593E+01
    8.8750  7.407024E-01  3.940990E+01
    8.9250  7.158272E-01  4.037157E+01
    8.9750  7.165104E-01  4.134497E+01
    9.0250  6.997365E-01  4.230620E+01
    9.0750  6.721043E-01  4.323973E+01
    9.1250  6.682245E-01  4.417813E+01
    9.1750  7.013674E-01  4.517390E+01
    9.2250  7.175902E-01  4.620383E+01
    9.2750  7.337451E-01  4.726840E+01
    9.3250  7.043959E-01  4.830143E+01
    9.3750  7.243369E-01  4.937513E+01
    9.4250  7.251045E-01  5.046147E+01
    9.4750  7.319358E-01  5.156970E+01
    9.5250  7.190215E-01  5.266990E+01
    9.5750  7.457653E-01  5.382303E+01
    9.6250  7.706147E-01  5.502707E+01
    9.6750  7.722773E-01  5.624627E+01
    9.7250  7.854842E-01  5.749917E+01
    9.7750  7.930239E-01  5.877713E+01
    9.8250  7.565338E-01  6.000880E+01
    9.8750  7.330833E-01  6.121447E+01
    9.9250  7.303104E-01  6.242777E+01
    9.9750  7.624163E-01  6.370720E+01
   10.0250  7.318015E-01  6.494760E+01
   10.0750  7.412038E-01  6.621650E+01
   10.1250  7.552241E-01  6.752227E+01
   10.1750  7.341514E-01  6.880417E+01
   10.2250  7.485774E-01  7.012413E+01
   10.2750  7.956738E-01  7.154090E+01
   10.3250  8.042268E-01  7.298687E+01
   10.3750  7.844856E-01  7.441103E+01
   10.4250  7.993287E-01  7.587617E+01
   10.4750  8.196353E-01  7.739297E+01
   10.5250  8.247123E-01  7.893377E+01
   10.5750  8.335273E-01  8.050587E+01
   10.6250  8.153364E-01  8.205823E+01
   10.6750  8.025134E-01  8.360060E+01
   10.7250  8.099797E-01  8.517193E+01
   10.7750  8.146176E-01  8.676703E+01
   10.8250  8.073458E-01  8.836260E+01
   10.8750  8.012425E-01  8.996077E+01
   10.9250  7.931305E-01  9.155733E+01
   10.9750  7.914335E-01  9.316510E+01
   11.0250  8.047427E-01  9.481483E+01
   11.0750  7.809764E-01  9.643040E+01
   11.1250  8.032434E-01  9.810707E+01
   11.1750  8.257305E-01  9.984620E+01
   11.2250  8.499505E-01  1.016524E+02
   11.2750  8.516171E-01  1.034783E+02
   11.3250  8.695097E-01  1.053591E+02
   11.3750  8.243063E-01  1.071580E+02
   11.4250  8.546731E-01  1.090395E+02
   11.4750  8.567124E-01  1.109421E+02
   11.5250  8.639813E-01  1.128775E+02
   11.5750  8.328423E-01  1.147595E+02
   11.6250  8.697291E-01  1.167418E+02
   11.6750  8.440982E-01  1.186822E+02
   11.7250  8.353186E-01  1.206190E+02
   11.7750  8.704621E-01  1.226545E+02
   11.8250  8.754699E-01  1.247191E+02
   11.8750  8.781202E-01  1.268076E+02
   11.9250  8.797642E-01  1.289176E+02
   11.9750  8.847544E-01  1.310574E+02
   12.0250  8.952353E-01  1.332406E+02
   12.0750  8.800967E-01  1.354049E+02
   12.1250  8.904643E-01  1.376128E+02
   12.1750  8.902322E-01  1.398383E+02
   12.2250  9.035424E-01  1.421158E+02
   12.2750  9.031486E-01  1.444109E+02
   12.3250  9.139338E-01  1.467523E+02
   12.3750  8.936317E-01  1.490604E+02
   12.4250  9.003700E-01  1.514047E+02
   12.4750  9.132582E-01  1.538017E+02
   12.5250  9.125704E-01  1.562162E+02
   12.5750  9.495856E-01  1.587487E+02
   12.6250  9.646592E-01  1.613419E+02
   12.6750  9.911529E-01  1.640275E+02
   12.7250  9.729555E-01  1.666846E+02
   12.7750  9.793297E-01  1.693801E+02
   12.8250  9.527831E-01  1.720232E+02
   12.8750  9.656782E-01  1.747230E+02
   12.9250  9.774228E-01  1.774768E+02
   12.9750  9.767369E-01  1.802501E+02
   13.0250  9.668990E-01  1.830166E+02
   13.0750  9.794031E-01  1.858405E+02
   13.1250  9.887863E-01  1.887133E+02
   13.1750  9.840851E-01  1.915942E+02
   13.2250  9.981512E-01  1.945385E+02
   13.2750  9.882014E-01  1.974756E+02
   13.3250  9.916967E-01  2.004453E+02
   13.3750  1.008005E+00  2.034865E+02
   13.4250  1.008922E+00  2.065533E+02
   13.4750  1.005944E+00  2.096339E+02
   13.5250  9.847335E-01  2.126719E+02
   13.5750  1.008917E+00  2.158076E+02
   13.6250  9.828201E-01  2.188848E+02
   13.6750  9.972911E-01  2.220302E+02
   13.7250  1.004349E+00  2.252210E+02
   13.7750  1.018851E+00  2.284816E+02
   13.8250  9.988789E-01  2.317015E+02
   13.8750  9.884281E-01  2.349108E+02
   13.9250  1.005448E+00  2.381989E+02
   13.9750  1.031065E+00  2.415951E+02
   14.0250  1.025575E+00  2.449974E+02
   14.0750  1.054956E+00  2.485222E+02
   14.1250  1.065114E+00  2.521062E+02
   14.1750  1.069180E+00  2.557294E+02
   14.2250  1.055123E+00  2.593303E+02
   14.2750  1.050499E+00  2.629406E+02
   14.3250  1.065081E+00  2.666268E+02
   14.3750  1.053916E+00  2.702998E+02
   14.4250  1.019486E+00  2.738775E+02
   14.4750  9.971548E-01  2.774012E+02
   14.5250  1.023736E+00  2.810439E+02
   14.5750  1.005513E+00  2.846464E+02
   14.6250  1.008934E+00  2.882860E+02
   14.6750  1.029942E+00  2.920268E+02
   14.7250  1.043414E+00  2.958425E+02
   14.7750  1.028958E+00  2.996308E+02
   14.8250  1.013693E+00  3.033883E+02
   14.8750  1.030257E+00  3.072330E+02
   14.9250  1.044154E+00  3.111557E+02
   14.9750  1.032125E+00  3.150593E+02
   15.0250  1.033681E+00  3.189950E+02
   15.0750  1.030349E+00  3.229441E+02
   15.1250  1.030710E+00  3.269208E+02
   15.1750  1.026349E+00  3.309069E+02
   15.2250  1.028836E+00  3.349291E+02
   15.2750  1.046584E+00  3.390476E+02
   15.3250  1.069624E+00  3.432843E+02
   15.3750  1.057703E+00  3.475012E+02
   15.4250  1.065303E+00  3.517761E+02
   15.4750  1.102757E+00  3.562300E+02
   15.5250  1.077453E+00  3.606098E+02
   15.5750  1.090516E+00  3.650714E+02
   15.6250  1.078731E+00  3.695131E+02
   15.6750  1.064573E+00  3.739247E+02
   15.7250  1.070858E+00  3.783906E+02
   15.7750  1.063143E+00  3.828526E+02
   15.8250  1.057848E+00  3.873206E+02
   15.8750  1.068990E+00  3.918642E+02
   15.9250  1.066184E+00  3.964244E+02
   15.9750  1.066615E+00  4.010152E+02

g(r)  :OS      HW      

        r      g(r)         n(r)

    1.7750  0.000000E+00  0.000000E+00
    1.8250  0.000000E+00  0.000000E+00
    1.8750  2.529672E-03  3.000000E-04
    1.9250  4.266621E-03  8.333333E-04
    1.9750  2.786668E-03  1.200000E-03
    2.0250  2.891739E-03  1.600000E-03
    2.0750  7.114665E-03  2.633333E-03
    2.1250  6.783811E-03  3.666667E-03
    2.1750  1.023548E-02  5.300000E-03
    2.2250  3.193682E-03  5.833333E-03
    2.2750  2.863920E-03  6.333333E-03
    2.3250  5.849750E-03  7.400000E-03
    2.3750  7.708314E-03  8.866667E-03
    2.4250  1.680394E-02  1.220000E-02
    2.4750  1.613187E-02  1.553333E-02
    2.5250  2.045912E-02  1.993333E-02
    2.5750  1.698974E-02  2.373333E-02
    2.6250  9.895262E-03  2.603333E-02
    2.6750  7.733530E-03  2.790000E-02
    2.7250  1.783239E-02  3.236667E-02
    2.7750  2.758994E-02  3.953333E-02
    2.8250  3.157489E-02  4.803333E-02
    2.8750  3.777900E-02  5.856667E-02
    2.9250  3.384194E-02  6.833333E-02
    2.9750  4.008300E-02  8.030000E-02
    3.0250  6.349897E-02  9.990000E-02
    3.0750  6.260038E-02  1.198667E-01
    3.1250  5.352989E-02  1.375000E-01
    3.1750  5.607245E-02  1.565667E-01
    3.2250  5.425227E-02  1.756000E-01
    3.2750  5.841282E-02  1.967333E-01
    3.3250  6.542889E-02  2.211333E-01
    3.3750  7.539009E-02  2.501000E-01
    3.4250  7.876490E-02  2.812667E-01
    3.4750  8.379784E-02  3.154000E-01
    3.5250  8.565252E-02  3.513000E-01
    3.5750  9.935596E-02  3.941333E-01
    3.6250  1.149832E-01  4.451000E-01
    3.6750  1.317778E-01  5.051333E-01
    3.7250  1.542586E-01  5.773333E-01
    3.7750  1.624733E-01  6.554333E-01
    3.8250  1.835146E-01  7.460000E-01
    3.8750  1.711094E-01  8.326667E-01
    3.9250  1.791578E-01  9.257667E-01
    3.9750  1.956306E-01  1.030033E+00
    4.0250  2.026950E-01  1.140800E+00
    4.0750  2.145332E-01  1.260967E+00
    4.1250  2.116290E-01  1.382433E+00
    4.1750  2.180425E-01  1.510633E+00
    4.2250  2.399831E-01  1.655133E+00
    4.2750  2.469470E-01  1.807367E+00
    4.3250  2.477155E-01  1.963667E+00
    4.3750  2.488492E-01  2.124333E+00
    4.4250  2.664727E-01  2.300333E+00
    4.4750  2.674599E-01  2.481000E+00
    4.5250  2.684834E-01  2.666433E+00
    4.5750  2.724202E-01  2.858767E+00
    4.6250  2.879515E-01  3.066533E+00
    4.6750  3.135209E-01  3.297667E+00
    4.7250  3.092666E-01  3.530567E+00
    4.7750  3.082414E-01  3.767633E+00
    4.8250  3.176342E-01  4.017067E+00
    4.8750  3.311526E-01  4.282533E+00
    4.9250  3.436520E-01  4.563700E+00
    4.9750  3.612940E-01  4.865333E+00
    5.0250  3.670547E-01  5.177967E+00
    5.0750  3.733251E-01  5.502300E+00
    5.1250  3.812009E-01  5.840033E+00
    5.1750  3.888149E-01  6.191267E+00
    5.2250  4.053354E-01  6.564533E+00
    5.2750  4.163327E-01  6.955300E+00
    5.3250  4.161136E-01  7.353300E+00
    5.3750  3.975308E-01  7.740700E+00
    5.4250  4.106855E-01  8.148400E+00
    5.4750  4.110648E-01  8.564033E+00
    5.5250  4.190356E-01  8.995500E+00
    5.5750  4.160997E-01  9.431733E+00
    5.6250  3.932442E-01  9.851433E+00
    5.6750  3.973303E-01  1.028307E+01
    5.7250  3.823400E-01  1.070577E+01
    5.7750  3.825039E-01  1.113607E+01
    5.8250  3.857222E-01  1.157753E+01
    5.8750  3.882033E-01  1.202950E+01
    5.9250  4.029882E-01  1.250670E+01
    5.9750  4.083682E-01  1.299847E+01
    6.0250  4.258196E-01  1.351987E+01
    6.0750  4.352532E-01  1.406170E+01
    6.1250  4.381330E-01  1.461613E+01
    6.1750  4.554019E-01  1.520187E+01
    6.2250  4.796867E-01  1.582887E+01
    6.2750  4.846213E-01  1.647253E+01
    6.3250  4.985789E-01  1.714533E+01
    6.3750  4.860715E-01  1.781167E+01
    6.4250  4.952688E-01  1.850130E+01
    6.4750  5.003775E-01  1.920893E+01
    6.5250  5.091947E-01  1.994020E+01
    6.5750  5.010226E-01  2.067080E+01
    6.6250  5.090015E-01  2.142437E+01
    6.6750  4.995859E-01  2.217520E+01
    6.7250  5.190173E-01  2.296697E+01
    6.7750  5.191354E-01  2.377073E+01
    6.8250  5.179851E-01  2.458460E+01
    6.8750  4.960938E-01  2.537553E+01
    6.9250  5.124269E-01  2.620443E+01
    6.9750  5.015114E-01  2.702743E+01
    7.0250  4.914943E-01  2.784560E+01
    7.0750  5.048077E-01  2.869793E+01
    7.1250  5.023611E-01  2.955817E+01
    7.1750  5.013730E-01  3.042880E+01
    7.2250  5.099810E-01  3.132677E+01
    7.2750  5.200796E-01  3.225523E+01
    7.3250  5.374440E-01  3.322793E+01
    7.3750  5.516568E-01  3.424003E+01
    7.4250  5.506871E-01  3.526410E+01
    7.4750  5.845174E-01  3.636577E+01
    7.5250  6.033718E-01  3.751823E+01
    7.5750  6.032688E-01  3.868587E+01
    7.6250  5.851679E-01  3.983347E+01
    7.6750  6.094263E-01  4.104437E+01
    7.7250  5.913621E-01  4.223473E+01
    7.7750  5.961556E-01  4.345033E+01
    7.8250  5.933870E-01  4.467590E+01
    7.8750  5.990699E-01  4.592907E+01
    7.9250  6.154036E-01  4.723280E+01
    7.9750  6.160393E-01  4.855440E+01
    8.0250  6.170258E-01  4.989477E+01
    8.0750  6.298376E-01  5.128007E+01
    8.1250  6.308967E-01  5.268493E+01
    8.1750  6.385220E-01  5.412433E+01
    8.2250  6.350916E-01  5.557357E+01
    8.2750  6.593049E-01  5.709640E+01
    8.3250  6.576829E-01  5.863390E+01
    8.3750  6.765520E-01  6.023457E+01
    8.4250  6.659282E-01  6.182897E+01
    8.4750  6.655785E-01  6.344150E+01
    8.5250  6.736351E-01  6.509287E+01
    8.5750  6.996561E-01  6.682820E+01
    8.6250  6.828401E-01  6.854163E+01
    8.6750  6.899218E-01  7.029297E+01
    8.7250  6.942525E-01  7.207567E+01
    8.7750  6.795357E-01  7.384063E+01
    8.8250  6.747505E-01  7.561320E+01
    8.8750  7.011191E-01  7.747597E+01
    8.9250  7.007663E-01  7.935883E+01
    8.9750  6.957036E-01  8.124910E+01
    9.0250  6.881620E-01  8.313977E+01
    9.0750  6.891673E-01  8.505423E+01
    9.1250  6.963283E-01  8.700997E+01
    9.1750  6.831952E-01  8.894990E+01
    9.2250  6.881532E-01  9.092527E+01
    9.2750  6.992829E-01  9.295440E+01
    9.3250  7.040550E-01  9.501947E+01
    9.3750  7.185464E-01  9.714970E+01
    9.4250  7.126894E-01  9.928517E+01
    9.4750  7.332127E-01  1.015055E+02
    9.5250  7.352837E-01  1.037557E+02
    9.5750  7.440407E-01  1.060566E+02
    9.6250  7.459736E-01  1.083877E+02
    9.6750  7.583207E-01  1.107820E+02
    9.7250  7.614309E-01  1.132111E+02
    9.7750  7.691022E-01  1.156899E+02
    9.8250  7.716338E-01  1.182024E+02
    9.8750  7.827494E-01  1.207771E+02
    9.9250  7.742004E-01  1.233495E+02
    9.9750  7.777111E-01  1.259597E+02
   10.0250  7.762854E-01  1.285913E+02
   10.0750  7.785005E-01  1.312568E+02
   10.1250  7.918257E-01  1.339949E+02
   10.1750  7.816383E-01  1.367246E+02
   10.2250  7.886915E-01  1.395060E+02
   10.2750  7.904882E-01  1.423210E+02
   10.3250  8.032998E-01  1.452096E+02
   10.3750  7.997347E-01  1.481133E+02
   10.4250  7.974101E-01  1.510366E+02
   10.4750  8.052794E-01  1.540170E+02
   10.5250  7.890825E-01  1.569655E+02
   10.5750  7.844131E-01  1.599244E+02
   10.6250  7.969974E-01  1.629593E+02
   10.6750  7.986457E-01  1.660292E+02
   10.7250  8.029693E-01  1.691447E+02
   10.7750  7.941130E-01  1.722546E+02
   10.8250  8.065446E-01  1.754425E+02
   10.8750  8.094730E-01  1.786717E+02
   10.9250  7.984045E-01  1.818861E+02
   10.9750  8.011228E-01  1.851410E+02
   11.0250  8.085638E-01  1.884561E+02
   11.0750  8.091107E-01  1.918036E+02
   11.1250  8.079303E-01  1.951765E+02
   11.1750  8.271707E-01  1.986609E+02
   11.2250  8.431037E-01  2.022442E+02
   11.2750  8.449164E-01  2.058672E+02
   11.3250  8.472345E-01  2.095325E+02
   11.3750  8.451947E-01  2.132214E+02
   11.4250  8.294248E-01  2.168733E+02
   11.4750  8.422429E-01  2.206141E+02
   11.5250  8.461033E-01  2.244050E+02
   11.5750  8.418629E-01  2.282096E+02
   11.6250  8.474992E-01  2.320729E+02
   11.6750  8.548644E-01  2.360033E+02
   11.7250  8.693047E-01  2.400344E+02
   11.7750  8.755296E-01  2.441291E+02
   11.8250  8.919718E-01  2.483362E+02
   11.8750  8.910005E-01  2.525744E+02
   11.9250  8.764425E-01  2.567784E+02
   11.9750  8.882965E-01  2.610752E+02
   12.0250  8.923445E-01  2.654276E+02
   12.0750  9.064209E-01  2.698855E+02
   12.1250  9.007083E-01  2.743521E+02
   12.1750  9.011856E-01  2.788580E+02
   12.2250  9.161653E-01  2.834765E+02
   12.2750  9.125732E-01  2.881146E+02
   12.3250  9.193789E-01  2.928255E+02
   12.3750  9.297296E-01  2.976281E+02
   12.4250  9.401722E-01  3.025239E+02
   12.4750  9.316921E-01  3.074148E+02
   12.5250  9.464230E-01  3.124228E+02
   12.5750  9.631404E-01  3.175601E+02
   12.6250  9.563017E-01  3.227016E+02
   12.6750  9.556610E-01  3.278804E+02
   12.7250  9.697759E-01  3.331772E+02
   12.7750  9.624781E-01  3.384756E+02
   12.8250  9.566222E-01  3.437830E+02
   12.8750  9.419932E-01  3.490501E+02
   12.9250  9.489222E-01  3.543973E+02
   12.9750  9.601249E-01  3.598495E+02
   13.0250  9.647089E-01  3.653700E+02
   13.0750  9.613043E-01  3.709134E+02
   13.1250  9.686395E-01  3.765418E+02
   13.1750  9.702167E-01  3.822225E+02
   13.2250  9.715560E-01  3.879543E+02
   13.2750  9.834461E-01  3.938001E+02
   13.3250  9.842665E-01  3.996950E+02
   13.3750  9.954160E-01  4.057015E+02
   13.4250  9.972267E-01  4.117640E+02
   13.4750  9.981069E-01  4.178772E+02
   13.5250  1.000216E+00  4.240488E+02
   13.5750  1.009094E+00  4.303213E+02
   13.6250  1.002090E+00  4.365962E+02
   13.6750  1.003727E+00  4.429276E+02
   13.7250  1.005891E+00  4.493191E+02
   13.7750  1.003029E+00  4.557390E+02
   13.8250  1.008641E+00  4.622417E+02
   13.8750  1.021203E+00  4.688732E+02
   13.9250  1.031654E+00  4.756208E+02
   13.9750  1.026294E+00  4.823817E+02
   14.0250  1.029851E+00  4.892147E+02
   14.0750  1.025465E+00  4.960672E+02
   14.1250  1.016762E+00  5.029098E+02
   14.1750  1.020131E+00  5.098239E+02
   14.2250  1.014814E+00  5.167505E+02
   14.2750  1.018561E+00  5.237516E+02
   14.3250  1.023584E+00  5.308366E+02
   14.3750  1.033692E+00  5.380417E+02
   14.4250  1.039584E+00  5.453383E+02
   14.4750  1.043899E+00  5.527160E+02
   14.5250  1.037488E+00  5.600992E+02
   14.5750  1.039137E+00  5.675452E+02
   14.6250  1.042019E+00  5.750631E+02
   14.6750  1.042240E+00  5.826341E+02
   14.7250  1.030512E+00  5.901710E+02
   14.7750  1.033612E+00  5.977820E+02
   14.8250  1.035761E+00  6.054605E+02
   14.8750  1.038600E+00  6.132121E+02
   14.9250  1.041878E+00  6.210405E+02
   14.9750  1.045566E+00  6.289494E+02
   15.0250  1.047479E+00  6.369257E+02
   15.0750  1.044116E+00  6.449295E+02
   15.1250  1.046110E+00  6.530018E+02
   15.1750  1.046995E+00  6.611344E+02
   15.2250  1.056330E+00  6.693937E+02
   15.2750  1.054593E+00  6.776937E+02
   15.3250  1.052465E+00  6.860312E+02
   15.3750  1.052566E+00  6.944240E+02
   15.4250  1.042339E+00  7.027895E+02
   15.4750  1.045869E+00  7.112377E+02
   15.5250  1.052238E+00  7.197925E+02
   15.5750  1.063862E+00  7.284975E+02
   15.6250  1.062006E+00  7.372432E+02
   15.6750  1.067316E+00  7.460890E+02
   15.7250  1.067836E+00  7.549957E+02
   15.7750  1.059108E+00  7.638858E+02
   15.8250  1.069521E+00  7.729204E+02
   15.8750  1.063798E+00  7.819634E+02
   15.9250  1.079133E+00  7.911947E+02
   15.9750  1.069031E+00  8.003971E+02

g(r)  :Oe      Oe      

        r      g(r)         n(r)

    2.8750  0.000000E+00  0.000000E+00
    2.9250  0.000000E+00  0.000000E+00
    2.9750  1.001368E+00  7.333333E-04
    3.0250  1.672931E+00  2.000000E-03
    3.0750  1.789389E+00  3.400000E-03
    3.1250  9.075458E-01  4.133333E-03
    3.1750  6.394090E-01  4.666667E-03
    3.2250  4.648023E-01  5.066667E-03
    3.2750  5.258382E-01  5.533333E-03
    3.3250  5.101428E-01  6.000000E-03
    3.3750  4.951397E-01  6.466667E-03
    3.4250  3.708942E+00  1.006667E-02
    3.4750  1.174305E+01  2.180000E-02
    3.5250  2.360266E+01  4.606667E-02
    3.5750  2.906210E+01  7.680000E-02
    3.6250  2.979878E+01  1.092000E-01
    3.6750  2.201355E+01  1.338000E-01
    3.7250  2.345889E+01  1.607333E-01
    3.7750  3.561931E+01  2.027333E-01
    3.8250  2.637859E+01  2.346667E-01
    3.8750  3.756071E+01  2.813333E-01
    3.9250  4.555312E+01  3.394000E-01
    3.9750  4.084489E+01  3.928000E-01
    4.0250  3.143148E+01  4.349333E-01
    4.0750  3.658439E+01  4.852000E-01
    4.1250  4.446287E+01  5.478000E-01
    4.1750  5.842707E+01  6.320667E-01
    4.2250  6.287497E+01  7.249333E-01
    4.2750  5.629877E+01  8.100667E-01
    4.3250  5.573685E+01  8.963333E-01
    4.3750  5.968986E+01  9.908667E-01
    4.4250  6.797732E+01  1.101000E+00
    4.4750  7.189838E+01  1.220133E+00
    4.5250  6.595042E+01  1.331867E+00
    4.5750  6.309248E+01  1.441133E+00
    4.6250  6.203704E+01  1.550933E+00
    4.6750  5.570347E+01  1.651667E+00
    4.7250  5.712923E+01  1.757200E+00
    4.7750  5.593909E+01  1.862733E+00
    4.8250  5.315913E+01  1.965133E+00
    4.8750  5.027745E+01  2.064000E+00
    4.9250  5.059049E+01  2.165533E+00
    4.9750  4.648615E+01  2.260733E+00
    5.0250  4.046026E+01  2.345267E+00
    5.0750  3.944797E+01  2.429333E+00
    5.1250  3.951026E+01  2.515200E+00
    5.1750  4.443668E+01  2.613667E+00
    5.2250  3.665480E+01  2.696467E+00
    5.2750  3.161984E+01  2.769267E+00
    5.3250  3.460908E+01  2.850467E+00
    5.3750  3.678493E+01  2.938400E+00
    5.4250  3.320805E+01  3.019267E+00
    5.4750  3.080339E+01  3.095667E+00
    5.5250  3.621360E+01  3.187133E+00
    5.5750  3.040819E+01  3.265333E+00
    5.6250  3.300215E+01  3.351733E+00
    5.6750  2.666907E+01  3.422800E+00
    5.7250  2.768024E+01  3.497867E+00
    5.7750  2.512533E+01  3.567200E+00
    5.8250  2.467210E+01  3.636467E+00
    5.8750  2.647158E+01  3.712067E+00
    5.9250  2.790869E+01  3.793133E+00
    5.9750  2.408082E+01  3.864267E+00
    6.0250  1.604748E+01  3.912467E+00
    6.0750  1.676685E+01  3.963667E+00
    6.1250  1.606468E+01  4.013533E+00
    6.1750  1.555202E+01  4.062600E+00
    6.2250  1.657152E+01  4.115733E+00
    6.2750  1.620618E+01  4.168533E+00
    6.3250  1.073468E+01  4.204067E+00
    6.3750  1.409588E+01  4.251467E+00
    6.4250  1.415060E+01  4.299800E+00
    6.4750  2.190828E+01  4.375800E+00
    6.5250  1.595327E+01  4.432000E+00
    6.5750  1.310228E+01  4.478867E+00
    6.6250  1.380477E+01  4.529000E+00
    6.6750  1.432207E+01  4.581800E+00
    6.7250  1.136630E+01  4.624333E+00
    6.7750  6.459701E+00  4.648867E+00
    6.8250  6.365400E+00  4.673400E+00
    6.8750  5.591286E+00  4.695267E+00
    6.9250  4.687572E+00  4.713867E+00
    6.9750  3.858787E+00  4.729400E+00
    7.0250  2.644878E+00  4.740200E+00
    7.0750  2.961749E+00  4.752467E+00
    7.1250  2.587029E+00  4.763333E+00
    7.1750  2.535447E+00  4.774133E+00
    7.2250  3.488319E+00  4.789200E+00
    7.2750  2.922932E+00  4.802000E+00
    7.3250  3.904286E+00  4.819333E+00
    7.3750  2.829390E+00  4.832067E+00
    7.4250  2.674494E+00  4.844267E+00
    7.4750  4.268280E+00  4.864000E+00
    7.5250  2.774631E+00  4.877000E+00
    7.5750  2.710040E+00  4.889867E+00
    7.6250  2.300446E+00  4.900933E+00
    7.6750  1.422526E+00  4.907867E+00
    7.7250  2.173765E+00  4.918600E+00
    7.7750  2.465782E+00  4.930933E+00
    7.8250  2.671228E+00  4.944467E+00
    7.8750  9.094538E-01  4.949133E+00
    7.9250  1.295706E+00  4.955867E+00
    7.9750  1.634226E+00  4.964467E+00
    8.0250  1.526348E+00  4.972600E+00
    8.0750  8.526049E-01  4.977200E+00
    8.1250  1.000808E+00  4.982667E+00
    8.1750  5.304702E-01  4.985600E+00
    8.2250  1.143361E+00  4.992000E+00
    8.2750  8.707221E-01  4.996933E+00
    8.3250  5.347776E-01  5.000000E+00
    8.3750  0.000000E+00  5.000000E+00
    8.4250  0.000000E+00  5.000000E+00
    8.4750  0.000000E+00  5.000000E+00
    8.5250  0.000000E+00  5.000000E+00
    8.5750  0.000000E+00  5.000000E+00
    8.6250  0.000000E+00  5.000000E+00
    8.6750  0.000000E+00  5.000000E+00
    8.7250  0.000000E+00  5.000000E+00
    8.7750  0.000000E+00  5.000000E+00
    8.8250  0.000000E+00  5.000000E+00
    8.8750  0.000000E+00  5.000000E+00
    8.9250  0.000000E+00  5.000000E+00
    8.9750  0.000000E+00  5.000000E+00
    9.0250  0.000000E+00  5.000000E+00
    9.0750  0.000000E+00  5.000000E+00
    9.1250  0.000000E+00  5.000000E+00
    9.1750  0.000000E+00  5.000000E+00
    9.2250  0.000000E+00  5.000000E+00
    9.2750  0.000000E+00  5.000000E+00
    9.3250  0.000000E+00  5.000000E+00
    9.3750  0.000000E+00  5.000000E+00
    9.4250  0.000000E+00  5.000000E+00
    9.4750  0.000000E+00  5.000000E+00
    9.5250  0.000000E+00  5.000000E+00
    9.5750  0.000000E+00  5.000000E+00
    9.6250  0.000000E+00  5.000000E+00
    9.6750  0.000000E+00  5.000000E+00
    9.7250  0.000000E+00  5.000000E+00
    9.7750  0.000000E+00  5.000000E+00
    9.8250  0.000000E+00  5.000000E+00
    9.8750  0.000000E+00  5.000000E+00
    9.9250  0.000000E+00  5.000000E+00
    9.9750  0.000000E+00  5.000000E+00
   10.0250  0.000000E+00  5.000000E+00
   10.0750  0.000000E+00  5.000000E+00
   10.1250  0.000000E+00  5.000000E+00
   10.1750  0.000000E+00  5.000000E+00
   10.2250  0.000000E+00  5.000000E+00
   10.2750  0.000000E+00  5.000000E+00
   10.3250  0.000000E+00  5.000000E+00
   10.3750  0.000000E+00  5.000000E+00
   10.4250  0.000000E+00  5.000000E+00
   10.4750  0.000000E+00  5.000000E+00
   10.5250  0.000000E+00  5.000000E+00
   10.5750  0.000000E+00  5.000000E+00
   10.6250  0.000000E+00  5.000000E+00
   10.6750  0.000000E+00  5.000000E+00
   10.7250  0.000000E+00  5.000000E+00
   10.7750  0.000000E+00  5.000000E+00
   10.8250  0.000000E+00  5.000000E+00
   10.8750  0.000000E+00  5.000000E+00
   10.9250  0.000000E+00  5.000000E+00
   10.9750  0.000000E+00  5.000000E+00
   11.0250  0.000000E+00  5.000000E+00
   11.0750  0.000000E+00  5.000000E+00
   11.1250  0.000000E+00  5.000000E+00
   11.1750  0.000000E+00  5.000000E+00
   11.2250  0.000000E+00  5.000000E+00
   11.2750  0.000000E+00  5.000000E+00
   11.3250  0.000000E+00  5.000000E+00
   11.3750  0.000000E+00  5.000000E+00
   11.4250  0.000000E+00  5.000000E+00
   11.4750  0.000000E+00  5.000000E+00
   11.5250  0.000000E+00  5.000000E+00
   11.5750  0.000000E+00  5.000000E+00
   11.6250  0.000000E+00  5.000000E+00
   11.6750  0.000000E+00  5.000000E+00
   11.7250  0.000000E+00  5.000000E+00
   11.7750  0.000000E+00  5.000000E+00
   11.8250  0.000000E+00  5.000000E+00
   11.8750  0.000000E+00  5.000000E+00
   11.9250  0.000000E+00  5.000000E+00
   11.9750  0.000000E+00  5.000000E+00
   12.0250  0.000000E+00  5.000000E+00
   12.0750  0.000000E+00  5.000000E+00
   12.1250  0.000000E+00  5.000000E+00
   12.1750  0.000000E+00  5.000000E+00
   12.2250  0.000000E+00  5.000000E+00
   12.2750  0.000000E+00  5.000000E+00
   12.3250  0.000000E+00  5.000000E+00
   12.3750  0.000000E+00  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  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  1.895568E+00  1.000000E-03
    2.5750  6.136326E+00  4.366667E-03
    2.6250  9.295667E+00  9.666667E-03
    2.6750  1.323009E+01  1.750000E-02
    2.7250  2.484709E+01  3.276667E-02
    2.7750  3.771835E+01  5.680000E-02
    2.8250  5.118526E+01  9.060000E-02
    2.8750  4.634993E+01  1.223000E-01
    2.9250  3.484372E+01  1.469667E-01
    2.9750  3.759682E+01  1.745000E-01
    3.0250  3.632022E+01  2.020000E-01
    3.0750  3.898311E+01  2.325000E-01
    3.1250  4.104582E+01  2.656667E-01
    3.1750  3.692587E+01  2.964667E-01
    3.2250  3.331083E+01  3.251333E-01
    3.2750  3.098690E+01  3.526333E-01
    3.3250  3.345079E+01  3.832333E-01
    3.3750  3.819649E+01  4.192333E-01
    3.4250  3.719245E+01  4.553333E-01
    3.4750  3.459528E+01  4.899000E-01
    3.5250  3.961876E+01  5.306333E-01
    3.5750  4.658761E+01  5.799000E-01
    3.6250  4.359452E+01  6.273000E-01
    3.6750  4.435522E+01  6.768667E-01
    3.7250  5.075017E+01  7.351333E-01
    3.7750  4.706837E+01  7.906333E-01
    3.8250  4.725017E+01  8.478333E-01
    3.8750  5.754837E+01  9.193333E-01
    3.9250  5.219519E+01  9.858667E-01
    3.9750  3.995252E+01  1.038100E+00
    4.0250  3.824495E+01  1.089367E+00
    4.0750  3.471636E+01  1.137067E+00
    4.1250  3.463748E+01  1.185833E+00
    4.1750  2.969889E+01  1.228667E+00
    4.2250  2.947405E+01  1.272200E+00
    4.2750  2.726765E+01  1.313433E+00
    4.3250  3.234805E+01  1.363500E+00
    4.3750  4.291524E+01  1.431467E+00
    4.4250  4.925475E+01  1.511267E+00
    4.4750  5.369244E+01  1.600233E+00
    4.5250  5.320106E+01  1.690367E+00
    4.5750  4.203599E+01  1.763167E+00
    4.6250  3.531252E+01  1.825667E+00
    4.6750  3.074566E+01  1.881267E+00
    4.7250  3.000819E+01  1.936700E+00
    4.7750  2.067237E+01  1.975700E+00
    4.8250  2.057494E+01  2.015333E+00
    4.8750  2.193494E+01  2.058467E+00
    4.9250  2.308627E+01  2.104800E+00
    4.9750  2.820746E+01  2.162567E+00
    5.0250  3.980613E+01  2.245733E+00
    5.0750  4.190369E+01  2.335033E+00
    5.1250  4.351343E+01  2.429600E+00
    5.1750  3.659933E+01  2.510700E+00
    5.2250  2.402336E+01  2.564967E+00
    5.2750  1.329076E+01  2.595567E+00
    5.3250  1.101069E+01  2.621400E+00
    5.3750  1.206177E+01  2.650233E+00
    5.4250  1.159407E+01  2.678467E+00
    5.4750  1.204181E+01  2.708333E+00
    5.5250  1.268268E+01  2.740367E+00
    5.5750  1.430973E+01  2.777167E+00
    5.6250  1.087339E+01  2.805633E+00
    5.6750  1.383489E+01  2.842500E+00
    5.7250  1.692526E+01  2.888400E+00
    5.7750  1.682673E+01  2.934833E+00
    5.8250  1.269224E+01  2.970467E+00
    5.8750  1.099481E+01  3.001867E+00
    5.9250  1.118872E+01  3.034367E+00
    5.9750  9.659410E+00  3.062900E+00
    6.0250  1.120882E+01  3.096567E+00
    6.0750  9.114789E+00  3.124400E+00
    6.1250  6.969238E+00  3.146033E+00
    6.1750  7.797138E+00  3.170633E+00
    6.2250  8.712006E+00  3.198567E+00
    6.2750  7.438063E+00  3.222800E+00
    6.3250  5.588881E+00  3.241300E+00
    6.3750  6.542391E+00  3.263300E+00
    6.4250  6.597105E+00  3.285833E+00
    6.4750  4.006909E+00  3.299733E+00
    6.5250  5.630008E+00  3.319567E+00
    6.5750  7.510980E+00  3.346433E+00
    6.6250  9.628460E+00  3.381400E+00
    6.6750  8.019997E+00  3.410967E+00
    6.7250  6.030555E+00  3.433533E+00
    6.7750  7.117959E+00  3.460567E+00
    6.8250  6.443238E+00  3.485400E+00
    6.8750  6.801595E+00  3.512000E+00
    6.9250  6.846543E+00  3.539167E+00
    6.9750  7.361506E+00  3.568800E+00
    7.0250  6.808113E+00  3.596600E+00
    7.0750  5.899354E+00  3.621033E+00
    7.1250  6.300923E+00  3.647500E+00
    7.1750  9.038401E+00  3.686000E+00
    7.2250  9.731792E+00  3.728033E+00
    7.2750  9.735494E+00  3.770667E+00
    7.3250  1.074429E+01  3.818367E+00
    7.3750  1.004359E+01  3.863567E+00
    7.4250  1.154563E+01  3.916233E+00
    7.4750  1.041835E+01  3.964400E+00
    7.5250  1.033016E+01  4.012800E+00
    7.5750  9.885326E+00  4.059733E+00
    7.6250  9.832327E+00  4.107033E+00
    7.6750  7.960674E+00  4.145833E+00
    7.7250  6.588803E+00  4.178367E+00
    7.7750  7.777208E+00  4.217267E+00
    7.8250  9.217712E+00  4.263967E+00
    7.8750  7.840791E+00  4.304200E+00
    7.9250  7.876868E+00  4.345133E+00
    7.9750  9.399966E+00  4.394600E+00
    8.0250  8.444957E+00  4.439600E+00
    8.0750  8.661971E+00  4.486333E+00
    8.1250  8.122414E+00  4.530700E+00
    8.1750  1.041651E+01  4.588300E+00
    8.2250  1.016519E+01  4.645200E+00
    8.2750  9.742674E+00  4.700400E+00
    8.3250  9.649248E+00  4.755733E+00
    8.3750  8.431606E+00  4.804667E+00
    8.4250  9.063981E+00  4.857900E+00
    8.4750  9.933289E+00  4.916933E+00
    8.5250  9.018882E+00  4.971167E+00
    8.5750  8.525017E+00  5.023033E+00
    8.6250  7.722453E+00  5.070567E+00
    8.6750  9.566202E+00  5.130133E+00
    8.7250  9.568008E+00  5.190400E+00
    8.7750  9.009338E+00  5.247800E+00
    8.8250  7.650552E+00  5.297100E+00
    8.8750  6.792277E+00  5.341367E+00
    8.9250  6.984435E+00  5.387400E+00
    8.9750  6.611753E+00  5.431467E+00
    9.0250  6.578264E+00  5.475800E+00
    9.0750  6.002130E+00  5.516700E+00
    9.1250  5.926857E+00  5.557533E+00
    9.1750  4.651663E+00  5.589933E+00
    9.2250  6.206175E+00  5.633633E+00
    9.2750  5.839730E+00  5.675200E+00
    9.3250  4.943344E+00  5.710767E+00
    9.3750  3.886936E+00  5.739033E+00
    9.4250  3.356009E+00  5.763700E+00
    9.4750  3.374532E+00  5.788767E+00
    9.5250  3.392482E+00  5.814233E+00
    9.5750  3.238502E+00  5.838800E+00
    9.6250  2.948373E+00  5.861400E+00
    9.6750  2.844813E+00  5.883433E+00
    9.7250  1.950925E+00  5.898700E+00
    9.7750  1.859342E+00  5.913400E+00
    9.8250  1.648490E+00  5.926567E+00
    9.8750  1.574001E+00  5.939267E+00
    9.9250  1.337337E+00  5.950167E+00
    9.9750  1.441380E+00  5.962033E+00
   10.0250  1.298765E+00  5.972833E+00
   10.0750  1.317657E+00  5.983900E+00
   10.1250  7.073539E-01  5.989900E+00
   10.1750  5.603353E-01  5.994700E+00
   10.2250  3.544994E-01  5.997767E+00
   10.2750  2.175031E-01  5.999667E+00
   10.3250  3.778977E-02  6.000000E+00
   10.3750  0.000000E+00  6.000000E+00
   10.4250  0.000000E+00  6.000000E+00
   10.4750  0.000000E+00  6.000000E+00
   10.5250  0.000000E+00  6.000000E+00
   10.5750  0.000000E+00  6.000000E+00
   10.6250  0.000000E+00  6.000000E+00
   10.6750  0.000000E+00  6.000000E+00
   10.7250  0.000000E+00  6.000000E+00
   10.7750  0.000000E+00  6.000000E+00
   10.8250  0.000000E+00  6.000000E+00
   10.8750  0.000000E+00  6.000000E+00
   10.9250  0.000000E+00  6.000000E+00
   10.9750  0.000000E+00  6.000000E+00
   11.0250  0.000000E+00  6.000000E+00
   11.0750  0.000000E+00  6.000000E+00
   11.1250  0.000000E+00  6.000000E+00
   11.1750  0.000000E+00  6.000000E+00
   11.2250  0.000000E+00  6.000000E+00
   11.2750  0.000000E+00  6.000000E+00
   11.3250  0.000000E+00  6.000000E+00
   11.3750  0.000000E+00  6.000000E+00
   11.4250  0.000000E+00  6.000000E+00
   11.4750  0.000000E+00  6.000000E+00
   11.5250  0.000000E+00  6.000000E+00
   11.5750  0.000000E+00  6.000000E+00
   11.6250  0.000000E+00  6.000000E+00
   11.6750  0.000000E+00  6.000000E+00
   11.7250  0.000000E+00  6.000000E+00
   11.7750  0.000000E+00  6.000000E+00
   11.8250  0.000000E+00  6.000000E+00
   11.8750  0.000000E+00  6.000000E+00
   11.9250  0.000000E+00  6.000000E+00
   11.9750  0.000000E+00  6.000000E+00
   12.0250  0.000000E+00  6.000000E+00
   12.0750  0.000000E+00  6.000000E+00
   12.1250  0.000000E+00  6.000000E+00
   12.1750  0.000000E+00  6.000000E+00
   12.2250  0.000000E+00  6.000000E+00
   12.2750  0.000000E+00  6.000000E+00
   12.3250  0.000000E+00  6.000000E+00
   12.3750  0.000000E+00  6.000000E+00
   12.4250  0.000000E+00  6.000000E+00
   12.4750  0.000000E+00  6.000000E+00
   12.5250  0.000000E+00  6.000000E+00
   12.5750  0.000000E+00  6.000000E+00
   12.6250  0.000000E+00  6.000000E+00
   12.6750  0.000000E+00  6.000000E+00
   12.7250  0.000000E+00  6.000000E+00
   12.7750  0.000000E+00  6.000000E+00
   12.8250  0.000000E+00  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
   14.0250  0.000000E+00  6.000000E+00
   14.0750  0.000000E+00  6.000000E+00
   14.1250  0.000000E+00  6.000000E+00
   14.1750  0.000000E+00  6.000000E+00
   14.2250  0.000000E+00  6.000000E+00
   14.2750  0.000000E+00  6.000000E+00
   14.3250  0.000000E+00  6.000000E+00
   14.3750  0.000000E+00  6.000000E+00
   14.4250  0.000000E+00  6.000000E+00
   14.4750  0.000000E+00  6.000000E+00
   14.5250  0.000000E+00  6.000000E+00
   14.5750  0.000000E+00  6.000000E+00
   14.6250  0.000000E+00  6.000000E+00
   14.6750  0.000000E+00  6.000000E+00
   14.7250  0.000000E+00  6.000000E+00
   14.7750  0.000000E+00  6.000000E+00
   14.8250  0.000000E+00  6.000000E+00
   14.8750  0.000000E+00  6.000000E+00
   14.9250  0.000000E+00  6.000000E+00
   14.9750  0.000000E+00  6.000000E+00
   15.0250  0.000000E+00  6.000000E+00
   15.0750  0.000000E+00  6.000000E+00
   15.1250  0.000000E+00  6.000000E+00
   15.1750  0.000000E+00  6.000000E+00
   15.2250  0.000000E+00  6.000000E+00
   15.2750  0.000000E+00  6.000000E+00
   15.3250  0.000000E+00  6.000000E+00
   15.3750  0.000000E+00  6.000000E+00
   15.4250  0.000000E+00  6.000000E+00
   15.4750  0.000000E+00  6.000000E+00
   15.5250  0.000000E+00  6.000000E+00
   15.5750  0.000000E+00  6.000000E+00
   15.6250  0.000000E+00  6.000000E+00
   15.6750  0.000000E+00  6.000000E+00
   15.7250  0.000000E+00  6.000000E+00
   15.7750  0.000000E+00  6.000000E+00
   15.8250  0.000000E+00  6.000000E+00
   15.8750  0.000000E+00  6.000000E+00
   15.9250  0.000000E+00  6.000000E+00
   15.9750  0.000000E+00  6.000000E+00

g(r)  :Oe      K       

        r      g(r)         n(r)

    2.3750  0.000000E+00  0.000000E+00
    2.4250  0.000000E+00  0.000000E+00
    2.4750  9.470055E+00  8.000000E-04
    2.5250  1.288987E+01  1.933333E-03
    2.5750  3.791156E+01  5.400000E-03
    2.6250  1.161081E+02  1.643333E-02
    2.6750  3.290070E+02  4.890000E-02
    2.7250  3.801930E+02  8.783333E-02
    2.7750  4.331594E+02  1.338333E-01
    2.8250  4.270486E+02  1.808333E-01
    2.8750  4.140788E+02  2.280333E-01
    2.9250  3.955234E+02  2.747000E-01
    2.9750  3.116075E+02  3.127333E-01
    3.0250  1.978461E+02  3.377000E-01
    3.0750  1.802170E+02  3.612000E-01
    3.1250  1.524677E+02  3.817333E-01
    3.1750  6.617883E+01  3.909333E-01
    3.2250  7.529797E+01  4.017333E-01
    3.2750  1.038906E+02  4.171000E-01
    3.3250  6.602705E+01  4.271667E-01
    3.3750  5.220187E+01  4.353667E-01
    3.4250  4.842230E+01  4.432000E-01
    3.4750  4.783956E+01  4.511667E-01
    3.5250  5.232788E+01  4.601333E-01
    3.5750  4.803756E+01  4.686000E-01
    3.6250  3.660468E+01  4.752333E-01
    3.6750  2.648785E+01  4.801667E-01
    3.7250  1.411017E+01  4.828667E-01
    3.7750  1.458695E+01  4.857333E-01
    3.8250  1.800793E+01  4.893667E-01
    3.8750  2.076571E+01  4.936667E-01
    3.9250  1.694513E+01  4.972667E-01
    3.9750  4.436336E+00  4.982333E-01
    4.0250  2.834802E+00  4.988667E-01
    4.0750  3.930153E+00  4.997667E-01
    4.1250  9.943774E-01  5.000000E-01
    4.1750  0.000000E+00  5.000000E-01
    4.2250  0.000000E+00  5.000000E-01
    4.2750  0.000000E+00  5.000000E-01
    4.3250  0.000000E+00  5.000000E-01
    4.3750  0.000000E+00  5.000000E-01
    4.4250  1.851682E+00  5.005000E-01
    4.4750  6.397226E+00  5.022667E-01
    4.5250  1.274937E+01  5.058667E-01
    4.5750  8.776745E+00  5.084000E-01
    4.6250  4.859003E+00  5.098333E-01
    4.6750  1.172317E+01  5.133667E-01
    4.7250  7.037398E+00  5.155333E-01
    4.7750  6.466742E+00  5.175667E-01
    4.8250  7.060197E+00  5.198333E-01
    4.8750  1.098442E+01  5.234333E-01
    4.9250  1.415072E+01  5.281667E-01
    4.9750  1.943433E+01  5.348000E-01
    5.0250  2.488881E+01  5.434667E-01
    5.0750  4.007363E+01  5.577000E-01
    5.1250  2.438715E+01  5.665333E-01
    5.1750  3.059722E+01  5.778333E-01
    5.2250  2.974882E+01  5.890333E-01
    5.2750  3.709250E+01  6.032667E-01
    5.3250  5.847741E+01  6.261333E-01
    5.3750  5.781285E+01  6.491667E-01
    5.4250  6.414383E+01  6.752000E-01
    5.4750  4.991439E+01  6.958333E-01
    5.5250  3.658313E+01  7.112333E-01
    5.5750  3.227467E+01  7.250667E-01
    5.6250  3.781497E+01  7.415667E-01
    5.6750  3.617586E+01  7.576333E-01
    5.7250  3.326053E+01  7.726667E-01
    5.7750  2.855591E+01  7.858000E-01
    5.8250  4.951043E+01  8.089667E-01
    5.8750  4.390921E+01  8.298667E-01
    5.9250  2.953823E+01  8.441667E-01
    5.9750  2.945217E+01  8.586667E-01
    6.0250  2.843267E+01  8.729000E-01
    6.0750  2.573973E+01  8.860000E-01
    6.1250  2.654539E+01  8.997333E-01
    6.1750  2.719490E+01  9.140333E-01
    6.2250  2.189437E+01  9.257333E-01
    6.2750  1.510121E+01  9.339333E-01
    6.3250  1.268827E+01  9.409333E-01
    6.3750  6.720820E+00  9.447000E-01
    6.4250  9.310116E+00  9.500000E-01
    6.4750  8.936273E+00  9.551667E-01
    6.5250  9.424349E+00  9.607000E-01
    6.5750  4.696692E+00  9.635000E-01
    6.6250  8.646339E+00  9.687333E-01
    6.6750  2.278511E+00  9.701333E-01
    6.7250  2.405096E+00  9.716333E-01
    6.7750  2.106424E+00  9.729667E-01
    6.8250  2.490809E+00  9.745667E-01
    6.8750  9.205166E-01  9.751667E-01
    6.9250  1.209696E+00  9.759667E-01
    6.9750  3.676612E+00  9.784333E-01
    7.0250  7.199946E+00  9.833333E-01
    7.0750  4.394335E+00  9.863667E-01
    7.1250  3.809122E+00  9.890333E-01
    7.1750  2.723258E+00  9.909667E-01
    7.2250  2.732002E+00  9.929333E-01
    7.2750  2.603236E+00  9.948333E-01
    7.3250  2.477720E+00  9.966667E-01
    7.3750  2.888644E+00  9.988333E-01
    7.4250  7.891951E-01  9.994333E-01
    7.4750  7.354130E-01  1.000000E+00
    7.5250  0.000000E+00  1.000000E+00
    7.5750  0.000000E+00  1.000000E+00
    7.6250  0.000000E+00  1.000000E+00
    7.6750  0.000000E+00  1.000000E+00
    7.7250  0.000000E+00  1.000000E+00
    7.7750  0.000000E+00  1.000000E+00
    7.8250  0.000000E+00  1.000000E+00
    7.8750  0.000000E+00  1.000000E+00
    7.9250  0.000000E+00  1.000000E+00
    7.9750  0.000000E+00  1.000000E+00
    8.0250  0.000000E+00  1.000000E+00
    8.0750  0.000000E+00  1.000000E+00
    8.1250  0.000000E+00  1.000000E+00
    8.1750  0.000000E+00  1.000000E+00
    8.2250  0.000000E+00  1.000000E+00
    8.2750  0.000000E+00  1.000000E+00
    8.3250  0.000000E+00  1.000000E+00
    8.3750  0.000000E+00  1.000000E+00
    8.4250  0.000000E+00  1.000000E+00
    8.4750  0.000000E+00  1.000000E+00
    8.5250  0.000000E+00  1.000000E+00
    8.5750  0.000000E+00  1.000000E+00
    8.6250  0.000000E+00  1.000000E+00
    8.6750  0.000000E+00  1.000000E+00
    8.7250  0.000000E+00  1.000000E+00
    8.7750  0.000000E+00  1.000000E+00
    8.8250  0.000000E+00  1.000000E+00
    8.8750  0.000000E+00  1.000000E+00
    8.9250  0.000000E+00  1.000000E+00
    8.9750  0.000000E+00  1.000000E+00
    9.0250  0.000000E+00  1.000000E+00
    9.0750  0.000000E+00  1.000000E+00
    9.1250  0.000000E+00  1.000000E+00
    9.1750  0.000000E+00  1.000000E+00
    9.2250  0.000000E+00  1.000000E+00
    9.2750  0.000000E+00  1.000000E+00
    9.3250  0.000000E+00  1.000000E+00
    9.3750  0.000000E+00  1.000000E+00
    9.4250  0.000000E+00  1.000000E+00
    9.4750  0.000000E+00  1.000000E+00
    9.5250  0.000000E+00  1.000000E+00
    9.5750  0.000000E+00  1.000000E+00
    9.6250  0.000000E+00  1.000000E+00
    9.6750  0.000000E+00  1.000000E+00
    9.7250  0.000000E+00  1.000000E+00
    9.7750  0.000000E+00  1.000000E+00
    9.8250  0.000000E+00  1.000000E+00
    9.8750  0.000000E+00  1.000000E+00
    9.9250  0.000000E+00  1.000000E+00
    9.9750  0.000000E+00  1.000000E+00
   10.0250  0.000000E+00  1.000000E+00
   10.0750  0.000000E+00  1.000000E+00
   10.1250  0.000000E+00  1.000000E+00
   10.1750  0.000000E+00  1.000000E+00
   10.2250  0.000000E+00  1.000000E+00
   10.2750  0.000000E+00  1.000000E+00
   10.3250  0.000000E+00  1.000000E+00
   10.3750  0.000000E+00  1.000000E+00
   10.4250  0.000000E+00  1.000000E+00
   10.4750  0.000000E+00  1.000000E+00
   10.5250  0.000000E+00  1.000000E+00
   10.5750  0.000000E+00  1.000000E+00
   10.6250  0.000000E+00  1.000000E+00
   10.6750  0.000000E+00  1.000000E+00
   10.7250  0.000000E+00  1.000000E+00
   10.7750  0.000000E+00  1.000000E+00
   10.8250  0.000000E+00  1.000000E+00
   10.8750  0.000000E+00  1.000000E+00
   10.9250  0.000000E+00  1.000000E+00
   10.9750  0.000000E+00  1.000000E+00
   11.0250  0.000000E+00  1.000000E+00
   11.0750  0.000000E+00  1.000000E+00
   11.1250  0.000000E+00  1.000000E+00
   11.1750  0.000000E+00  1.000000E+00
   11.2250  0.000000E+00  1.000000E+00
   11.2750  0.000000E+00  1.000000E+00
   11.3250  0.000000E+00  1.000000E+00
   11.3750  0.000000E+00  1.000000E+00
   11.4250  0.000000E+00  1.000000E+00
   11.4750  0.000000E+00  1.000000E+00
   11.5250  0.000000E+00  1.000000E+00
   11.5750  0.000000E+00  1.000000E+00
   11.6250  0.000000E+00  1.000000E+00
   11.6750  0.000000E+00  1.000000E+00
   11.7250  0.000000E+00  1.000000E+00
   11.7750  0.000000E+00  1.000000E+00
   11.8250  0.000000E+00  1.000000E+00
   11.8750  0.000000E+00  1.000000E+00
   11.9250  0.000000E+00  1.000000E+00
   11.9750  0.000000E+00  1.000000E+00
   12.0250  0.000000E+00  1.000000E+00
   12.0750  0.000000E+00  1.000000E+00
   12.1250  0.000000E+00  1.000000E+00
   12.1750  0.000000E+00  1.000000E+00
   12.2250  0.000000E+00  1.000000E+00
   12.2750  0.000000E+00  1.000000E+00
   12.3250  0.000000E+00  1.000000E+00
   12.3750  0.000000E+00  1.000000E+00
   12.4250  0.000000E+00  1.000000E+00
   12.4750  0.000000E+00  1.000000E+00
   12.5250  0.000000E+00  1.000000E+00
   12.5750  0.000000E+00  1.000000E+00
   12.6250  0.000000E+00  1.000000E+00
   12.6750  0.000000E+00  1.000000E+00
   12.7250  0.000000E+00  1.000000E+00
   12.7750  0.000000E+00  1.000000E+00
   12.8250  0.000000E+00  1.000000E+00
   12.8750  0.000000E+00  1.000000E+00
   12.9250  0.000000E+00  1.000000E+00
   12.9750  0.000000E+00  1.000000E+00
   13.0250  0.000000E+00  1.000000E+00
   13.0750  0.000000E+00  1.000000E+00
   13.1250  0.000000E+00  1.000000E+00
   13.1750  0.000000E+00  1.000000E+00
   13.2250  0.000000E+00  1.000000E+00
   13.2750  0.000000E+00  1.000000E+00
   13.3250  0.000000E+00  1.000000E+00
   13.3750  0.000000E+00  1.000000E+00
   13.4250  0.000000E+00  1.000000E+00
   13.4750  0.000000E+00  1.000000E+00
   13.5250  0.000000E+00  1.000000E+00
   13.5750  0.000000E+00  1.000000E+00
   13.6250  0.000000E+00  1.000000E+00
   13.6750  0.000000E+00  1.000000E+00
   13.7250  0.000000E+00  1.000000E+00
   13.7750  0.000000E+00  1.000000E+00
   13.8250  0.000000E+00  1.000000E+00
   13.8750  0.000000E+00  1.000000E+00
   13.9250  0.000000E+00  1.000000E+00
   13.9750  0.000000E+00  1.000000E+00
   14.0250  0.000000E+00  1.000000E+00
   14.0750  0.000000E+00  1.000000E+00
   14.1250  0.000000E+00  1.000000E+00
   14.1750  0.000000E+00  1.000000E+00
   14.2250  0.000000E+00  1.000000E+00
   14.2750  0.000000E+00  1.000000E+00
   14.3250  0.000000E+00  1.000000E+00
   14.3750  0.000000E+00  1.000000E+00
   14.4250  0.000000E+00  1.000000E+00
   14.4750  0.000000E+00  1.000000E+00
   14.5250  0.000000E+00  1.000000E+00
   14.5750  0.000000E+00  1.000000E+00
   14.6250  0.000000E+00  1.000000E+00
   14.6750  0.000000E+00  1.000000E+00
   14.7250  0.000000E+00  1.000000E+00
   14.7750  0.000000E+00  1.000000E+00
   14.8250  0.000000E+00  1.000000E+00
   14.8750  0.000000E+00  1.000000E+00
   14.9250  0.000000E+00  1.000000E+00
   14.9750  0.000000E+00  1.000000E+00
   15.0250  0.000000E+00  1.000000E+00
   15.0750  0.000000E+00  1.000000E+00
   15.1250  0.000000E+00  1.000000E+00
   15.1750  0.000000E+00  1.000000E+00
   15.2250  0.000000E+00  1.000000E+00
   15.2750  0.000000E+00  1.000000E+00
   15.3250  0.000000E+00  1.000000E+00
   15.3750  0.000000E+00  1.000000E+00
   15.4250  0.000000E+00  1.000000E+00
   15.4750  0.000000E+00  1.000000E+00
   15.5250  0.000000E+00  1.000000E+00
   15.5750  0.000000E+00  1.000000E+00
   15.6250  0.000000E+00  1.000000E+00
   15.6750  0.000000E+00  1.000000E+00
   15.7250  0.000000E+00  1.000000E+00
   15.7750  0.000000E+00  1.000000E+00
   15.8250  0.000000E+00  1.000000E+00
   15.8750  0.000000E+00  1.000000E+00
   15.9250  0.000000E+00  1.000000E+00
   15.9750  0.000000E+00  1.000000E+00

g(r)  :Oe      OW      

        r      g(r)         n(r)

    2.4250  0.000000E+00  0.000000E+00
    2.4750  0.000000E+00  0.000000E+00
    2.5250  1.580932E-02  1.700000E-03
    2.5750  3.219108E-02  5.300000E-03
    2.6250  6.482114E-02  1.283333E-02
    2.6750  1.035741E-01  2.533333E-02
    2.7250  1.272221E-01  4.126667E-02
    2.7750  1.652830E-01  6.273333E-02
    2.8250  2.389786E-01  9.490000E-02
    2.8750  2.668440E-01  1.321000E-01
    2.9250  3.296413E-01  1.796667E-01
    2.9750  3.246835E-01  2.281333E-01
    3.0250  3.146871E-01  2.767000E-01
    3.0750  3.584630E-01  3.338667E-01
    3.1250  3.517389E-01  3.918000E-01
    3.1750  2.942824E-01  4.418333E-01
    3.2250  2.780073E-01  4.906000E-01
    3.2750  3.150976E-01  5.476000E-01
    3.3250  3.532445E-01  6.134667E-01
    3.3750  2.975696E-01  6.706333E-01
    3.4250  3.372991E-01  7.373667E-01
    3.4750  3.479574E-01  8.082333E-01
    3.5250  3.155703E-01  8.743667E-01
    3.5750  3.474752E-01  9.492667E-01
    3.6250  2.598967E-01  1.006867E+00
    3.6750  3.021890E-01  1.075700E+00
    3.7250  2.736203E-01  1.139733E+00
    3.7750  2.672523E-01  1.203967E+00
    3.8250  2.486936E-01  1.265333E+00
    3.8750  2.315242E-01  1.323967E+00
    3.9250  2.266895E-01  1.382867E+00
    3.9750  2.277770E-01  1.443567E+00
    4.0250  2.128816E-01  1.501733E+00
    4.0750  2.261377E-01  1.565067E+00
    4.1250  1.655166E-01  1.612567E+00
    4.1750  1.865210E-01  1.667400E+00
    4.2250  1.768180E-01  1.720633E+00
    4.2750  1.551868E-01  1.768467E+00
    4.3250  1.600721E-01  1.818967E+00
    4.3750  1.423913E-01  1.864933E+00
    4.4250  1.290979E-01  1.907567E+00
    4.4750  1.300783E-01  1.951500E+00
    4.5250  9.729688E-02  1.985100E+00
    4.5750  9.027164E-02  2.016967E+00
    4.6250  1.280606E-01  2.063167E+00
    4.6750  1.353737E-01  2.113067E+00
    4.7250  1.156153E-01  2.156600E+00
    4.7750  1.089594E-01  2.198500E+00
    4.8250  1.497545E-01  2.257300E+00
    4.8750  1.247436E-01  2.307300E+00
    4.9250  1.198606E-01  2.356333E+00
    4.9750  1.169045E-01  2.405133E+00
    5.0250  1.306353E-01  2.460767E+00
    5.0750  1.367452E-01  2.520167E+00
    5.1250  1.409375E-01  2.582600E+00
    5.1750  1.522492E-01  2.651367E+00
    5.2250  1.498561E-01  2.720367E+00
    5.2750  1.456081E-01  2.788700E+00
    5.3250  1.767611E-01  2.873233E+00
    5.3750  1.832705E-01  2.962533E+00
    5.4250  2.140225E-01  3.068767E+00
    5.4750  2.516037E-01  3.195967E+00
    5.5250  2.279704E-01  3.313333E+00
    5.5750  2.226914E-01  3.430067E+00
    5.6250  2.529181E-01  3.565033E+00
    5.6750  2.435715E-01  3.697333E+00
    5.7250  2.573657E-01  3.839600E+00
    5.7750  2.616399E-01  3.986767E+00
    5.8250  2.371883E-01  4.122500E+00
    5.8750  2.337981E-01  4.258600E+00
    5.9250  2.485601E-01  4.405767E+00
    5.9750  2.755302E-01  4.571667E+00
    6.0250  2.690161E-01  4.736367E+00
    6.0750  2.786905E-01  4.909833E+00
    6.1250  2.920711E-01  5.094633E+00
    6.1750  3.114626E-01  5.294933E+00
    6.2250  3.280537E-01  5.509333E+00
    6.2750  3.205879E-01  5.722233E+00
    6.3250  3.193928E-01  5.937733E+00
    6.3750  3.344386E-01  6.166967E+00
    6.4250  3.181460E-01  6.388467E+00
    6.4750  3.612410E-01  6.643900E+00
    6.5250  3.755015E-01  6.913533E+00
    6.5750  3.740639E-01  7.186267E+00
    6.6250  4.011311E-01  7.483200E+00
    6.6750  3.753160E-01  7.765233E+00
    6.7250  3.742571E-01  8.050700E+00
    6.7750  3.642753E-01  8.332700E+00
    6.8250  4.018542E-01  8.648400E+00
    6.8750  4.178996E-01  8.981533E+00
    6.9250  4.233029E-01  9.323900E+00
    6.9750  4.355369E-01  9.681267E+00
    7.0250  4.140207E-01  1.002587E+01
    7.0750  4.183764E-01  1.037907E+01
    7.1250  4.228811E-01  1.074113E+01
    7.1750  4.510994E-01  1.113280E+01
    7.2250  4.583942E-01  1.153637E+01
    7.2750  4.918108E-01  1.197537E+01
    7.3250  4.788944E-01  1.240873E+01
    7.3750  4.751483E-01  1.284460E+01
    7.4250  4.617440E-01  1.327393E+01
    7.4750  4.747236E-01  1.372130E+01
    7.5250  4.994300E-01  1.419827E+01
    7.5750  5.380147E-01  1.471893E+01
    7.6250  5.271406E-01  1.523583E+01
    7.6750  4.929832E-01  1.572560E+01
    7.7250  4.763552E-01  1.620503E+01
    7.7750  5.173940E-01  1.673253E+01
    7.8250  5.160644E-01  1.726547E+01
    7.8750  5.194754E-01  1.780880E+01
    7.9250  5.160566E-01  1.835543E+01
    7.9750  5.252369E-01  1.891883E+01
    8.0250  5.406859E-01  1.950610E+01
    8.0750  5.150668E-01  2.007253E+01
    8.1250  5.005738E-01  2.062987E+01
    8.1750  5.083393E-01  2.120283E+01
    8.2250  5.225406E-01  2.179903E+01
    8.2750  5.585294E-01  2.244407E+01
    8.3250  5.737704E-01  2.311473E+01
    8.3750  6.068962E-01  2.383267E+01
    8.4250  6.223238E-01  2.457767E+01
    8.4750  6.399052E-01  2.535283E+01
    8.5250  6.682913E-01  2.617197E+01
    8.5750  6.622139E-01  2.699320E+01
    8.6250  6.974393E-01  2.786823E+01
    8.6750  6.827783E-01  2.873483E+01
    8.7250  6.915394E-01  2.962270E+01
    8.7750  6.623770E-01  3.048290E+01
    8.8250  6.692816E-01  3.136200E+01
    8.8750  6.795773E-01  3.226477E+01
    8.9250  6.851843E-01  3.318527E+01
    8.9750  6.788226E-01  3.410747E+01
    9.0250  6.525891E-01  3.500393E+01
    9.0750  6.512255E-01  3.590847E+01
    9.1250  6.417822E-01  3.680973E+01
    9.1750  6.454656E-01  3.772613E+01
    9.2250  6.592735E-01  3.867237E+01
    9.2750  6.664520E-01  3.963930E+01
    9.3250  6.667793E-01  4.061717E+01
    9.3750  6.829378E-01  4.162950E+01
    9.4250  7.249932E-01  4.271567E+01
    9.4750  7.338731E-01  4.382683E+01
    9.5250  7.287157E-01  4.494187E+01
    9.5750  7.352236E-01  4.607870E+01
    9.6250  7.230180E-01  4.720837E+01
    9.6750  7.243056E-01  4.835183E+01
    9.7250  7.306067E-01  4.951720E+01
    9.7750  7.328526E-01  5.069820E+01
    9.8250  7.622872E-01  5.193923E+01
    9.8750  7.618635E-01  5.319223E+01
    9.9250  7.848444E-01  5.449613E+01
    9.9750  7.798563E-01  5.580483E+01
   10.0250  7.801596E-01  5.712720E+01
   10.0750  8.062760E-01  5.850750E+01
   10.1250  8.184213E-01  5.992253E+01
   10.1750  7.875658E-01  6.129770E+01
   10.2250  7.790505E-01  6.267140E+01
   10.2750  7.635308E-01  6.403093E+01
   10.3250  7.644224E-01  6.540533E+01
   10.3750  7.738912E-01  6.681027E+01
   10.4250  7.412440E-01  6.816893E+01
   10.4750  7.744422E-01  6.960210E+01
   10.5250  8.009651E-01  7.109853E+01
   10.5750  8.155182E-01  7.263667E+01
   10.6250  8.279943E-01  7.421313E+01
   10.6750  8.114107E-01  7.577260E+01
   10.7250  8.230212E-01  7.736923E+01
   10.7750  8.199119E-01  7.897470E+01
   10.8250  8.413654E-01  8.063750E+01
   10.8750  8.326772E-01  8.229837E+01
   10.9250  8.168927E-01  8.394277E+01
   10.9750  8.295998E-01  8.562807E+01
   11.0250  8.527424E-01  8.737620E+01
   11.0750  8.621565E-01  8.915970E+01
   11.1250  8.807892E-01  9.099823E+01
   11.1750  8.736056E-01  9.283820E+01
   11.2250  8.469545E-01  9.463803E+01
   11.2750  8.660292E-01  9.649483E+01
   11.3250  8.918388E-01  9.842397E+01
   11.3750  9.347739E-01  1.004639E+02
   11.4250  9.052757E-01  1.024568E+02
   11.4750  8.944169E-01  1.044431E+02
   11.5250  9.192301E-01  1.065023E+02
   11.5750  9.092553E-01  1.085569E+02
   11.6250  9.089970E-01  1.106287E+02
   11.6750  9.093768E-01  1.127193E+02
   11.7250  9.137138E-01  1.148378E+02
   11.7750  9.274808E-01  1.170066E+02
   11.8250  9.234561E-01  1.191844E+02
   11.8750  9.300761E-01  1.213964E+02
   11.9250  9.505483E-01  1.236762E+02
   11.9750  9.766699E-01  1.260383E+02
   12.0250  9.624279E-01  1.283854E+02
   12.0750  9.733292E-01  1.307789E+02
   12.1250  9.747692E-01  1.331959E+02
   12.1750  9.576059E-01  1.355899E+02
   12.2250  9.893435E-01  1.380836E+02
   12.2750  9.824019E-01  1.405801E+02
   12.3250  9.782204E-01  1.430862E+02
   12.3750  9.949690E-01  1.456560E+02
   12.4250  9.984225E-01  1.482556E+02
   12.4750  9.720585E-01  1.508070E+02
   12.5250  9.911482E-01  1.534294E+02
   12.5750  9.972555E-01  1.560890E+02
   12.6250  1.011270E+00  1.588075E+02
   12.6750  9.902794E-01  1.614907E+02
   12.7250  9.922772E-01  1.642006E+02
   12.7750  1.006772E+00  1.669717E+02
   12.8250  1.025084E+00  1.698153E+02
   12.8750  1.045383E+00  1.727379E+02
   12.9250  1.023019E+00  1.756202E+02
   12.9750  1.016019E+00  1.785050E+02
   13.0250  1.027619E+00  1.814453E+02
   13.0750  1.030931E+00  1.844177E+02
   13.1250  1.031822E+00  1.874155E+02
   13.1750  9.961772E-01  1.903319E+02
   13.2250  9.939023E-01  1.932637E+02
   13.2750  1.012897E+00  1.962741E+02
   13.3250  1.011332E+00  1.993026E+02
   13.3750  1.006216E+00  2.023385E+02
   13.4250  1.011313E+00  2.054125E+02
   13.4750  1.020813E+00  2.085386E+02
   13.5250  1.029745E+00  2.117155E+02
   13.5750  1.052300E+00  2.149861E+02
   13.6250  1.023777E+00  2.181914E+02
   13.6750  1.017699E+00  2.214012E+02
   13.7250  1.023665E+00  2.246534E+02
   13.7750  1.038922E+00  2.279782E+02
   13.8250  1.045650E+00  2.313489E+02
   13.8750  1.025951E+00  2.346800E+02
   13.9250  1.028443E+00  2.380434E+02
   13.9750  1.027240E+00  2.414269E+02
   14.0250  1.036618E+00  2.448659E+02
   14.0750  1.043463E+00  2.483522E+02
   14.1250  1.028184E+00  2.518120E+02
   14.1750  1.022497E+00  2.552770E+02
   14.2250  1.039623E+00  2.588250E+02
   14.2750  1.047124E+00  2.624237E+02
   14.3250  1.047629E+00  2.660495E+02
   14.3750  1.054892E+00  2.697259E+02
   14.4250  1.058628E+00  2.734410E+02
   14.4750  1.053242E+00  2.771629E+02
   14.5250  1.034996E+00  2.808456E+02
   14.5750  1.026400E+00  2.845230E+02
   14.6250  1.044888E+00  2.882923E+02
   14.6750  1.052758E+00  2.921160E+02
   14.7250  1.030708E+00  2.958851E+02
   14.7750  1.050072E+00  2.997512E+02
   14.8250  1.022677E+00  3.035420E+02
   14.8750  1.056500E+00  3.074846E+02
   14.9250  1.058572E+00  3.114615E+02
   14.9750  1.057649E+00  3.154617E+02
   15.0250  1.065382E+00  3.195180E+02
   15.0750  1.054918E+00  3.235613E+02
   15.1250  1.056490E+00  3.276375E+02
   15.1750  1.049360E+00  3.317130E+02
   15.2250  1.060546E+00  3.358591E+02
   15.2750  1.072504E+00  3.400796E+02
   15.3250  1.040456E+00  3.442008E+02
   15.3750  1.039611E+00  3.483455E+02
   15.4250  1.044893E+00  3.525385E+02
   15.4750  1.039481E+00  3.567368E+02
   15.5250  1.059233E+00  3.610426E+02
   15.5750  1.041289E+00  3.653028E+02
   15.6250  1.040359E+00  3.695865E+02
   15.6750  1.075094E+00  3.740417E+02
   15.7250  1.095132E+00  3.786088E+02
   15.7750  1.101416E+00  3.832315E+02
   15.8250  1.084902E+00  3.878137E+02
   15.8750  1.097481E+00  3.924784E+02
   15.9250  1.086696E+00  3.971264E+02
   15.9750  1.096377E+00  4.018453E+02

g(r)  :Oe      HW      

        r      g(r)         n(r)

    1.4250  0.000000E+00  0.000000E+00
    1.4750  0.000000E+00  0.000000E+00
    1.5250  3.823965E-03  3.000000E-04
    1.5750  1.832358E-02  1.833333E-03
    1.6250  5.351124E-02  6.600000E-03
    1.6750  6.374802E-02  1.263333E-02
    1.7250  1.049370E-01  2.316667E-02
    1.7750  9.189506E-02  3.293333E-02
    1.8250  1.065103E-01  4.490000E-02
    1.8750  1.540289E-01  6.316667E-02
    1.9250  1.570650E-01  8.280000E-02
    1.9750  1.641601E-01  1.044000E-01
    2.0250  1.356708E-01  1.231667E-01
    2.0750  1.324246E-01  1.424000E-01
    2.1250  1.050397E-01  1.584000E-01
    2.1750  9.650600E-02  1.738000E-01
    2.2250  9.321559E-02  1.893667E-01
    2.2750  7.484379E-02  2.024333E-01
    2.3250  8.719783E-02  2.183333E-01
    2.3750  9.547798E-02  2.365000E-01
    2.4250  7.662596E-02  2.517000E-01
    2.4750  6.614068E-02  2.653667E-01
    2.5250  5.998242E-02  2.782667E-01
    2.5750  6.199764E-02  2.921333E-01
    2.6250  6.682887E-02  3.076667E-01
    2.6750  7.554002E-02  3.259000E-01
    2.7250  7.079725E-02  3.436333E-01
    2.7750  7.199049E-02  3.623333E-01
    2.8250  8.073267E-02  3.840667E-01
    2.8750  1.095113E-01  4.146000E-01
    2.9250  1.124985E-01  4.470667E-01
    2.9750  1.431376E-01  4.898000E-01
    3.0250  1.443846E-01  5.343667E-01
    3.0750  1.447438E-01  5.805333E-01
    3.1250  1.685837E-01  6.360667E-01
    3.1750  1.766478E-01  6.961333E-01
    3.2250  1.771988E-01  7.583000E-01
    3.2750  1.689734E-01  8.194333E-01
    3.3250  1.614270E-01  8.796333E-01
    3.3750  1.787153E-01  9.483000E-01
    3.4250  1.821280E-01  1.020367E+00
    3.4750  1.768429E-01  1.092400E+00
    3.5250  1.810871E-01  1.168300E+00
    3.5750  1.682479E-01  1.240833E+00
    3.6250  1.818375E-01  1.321433E+00
    3.6750  1.797037E-01  1.403300E+00
    3.7250  1.733451E-01  1.484433E+00
    3.7750  1.890321E-01  1.575300E+00
    3.8250  2.143142E-01  1.681067E+00
    3.8750  2.031595E-01  1.783967E+00
    3.9250  2.123209E-01  1.894300E+00
    3.9750  2.034483E-01  2.002733E+00
    4.0250  2.010480E-01  2.112600E+00
    4.0750  1.985846E-01  2.223833E+00
    4.1250  2.003041E-01  2.338800E+00
    4.1750  2.018282E-01  2.457467E+00
    4.2250  2.061031E-01  2.581567E+00
    4.2750  1.902795E-01  2.698867E+00
    4.3250  1.865394E-01  2.816567E+00
    4.3750  1.851396E-01  2.936100E+00
    4.4250  1.709362E-01  3.049000E+00
    4.4750  1.747372E-01  3.167033E+00
    4.5250  1.829625E-01  3.293400E+00
    4.5750  1.736974E-01  3.416033E+00
    4.6250  1.839601E-01  3.548767E+00
    4.6750  1.747560E-01  3.677600E+00
    4.7250  1.731132E-01  3.807967E+00
    4.7750  1.513035E-01  3.924333E+00
    4.8250  1.542964E-01  4.045500E+00
    4.8750  1.524366E-01  4.167700E+00
    4.9250  1.514350E-01  4.291600E+00
    4.9750  1.533972E-01  4.419667E+00
    5.0250  1.517295E-01  4.548900E+00
    5.0750  1.526297E-01  4.681500E+00
    5.1250  1.546701E-01  4.818533E+00
    5.1750  1.595923E-01  4.962700E+00
    5.2250  1.615840E-01  5.111500E+00
    5.2750  1.663129E-01  5.267600E+00
    5.3250  1.709063E-01  5.431067E+00
    5.3750  1.716066E-01  5.598300E+00
    5.4250  1.755092E-01  5.772533E+00
    5.4750  1.901863E-01  5.964833E+00
    5.5250  2.136939E-01  6.184867E+00
    5.5750  2.288596E-01  6.424800E+00
    5.6250  2.252151E-01  6.665167E+00
    5.6750  2.327400E-01  6.918000E+00
    5.7250  2.363205E-01  7.179267E+00
    5.7750  2.548841E-01  7.466000E+00
    5.8250  2.740888E-01  7.779700E+00
    5.8750  2.803230E-01  8.106067E+00
    5.9250  2.948942E-01  8.455267E+00
    5.9750  3.001934E-01  8.816767E+00
    6.0250  3.207667E-01  9.209533E+00
    6.0750  3.238894E-01  9.612733E+00
    6.1250  3.333741E-01  1.003460E+01
    6.1750  3.214663E-01  1.044807E+01
    6.2250  3.164504E-01  1.086170E+01
    6.2750  3.238254E-01  1.129180E+01
    6.3250  3.183554E-01  1.172140E+01
    6.3750  3.118250E-01  1.214887E+01
    6.4250  3.215453E-01  1.259660E+01
    6.4750  3.326265E-01  1.306700E+01
    6.5250  3.272930E-01  1.353703E+01
    6.5750  3.365752E-01  1.402783E+01
    6.6250  3.522055E-01  1.454927E+01
    6.6750  3.412488E-01  1.506213E+01
    6.7250  3.547227E-01  1.560327E+01
    6.7750  3.762887E-01  1.618587E+01
    6.8250  3.814242E-01  1.678517E+01
    6.8750  3.883782E-01  1.740437E+01
    6.9250  4.026344E-01  1.805567E+01
    6.9750  4.128277E-01  1.873313E+01
    7.0250  3.882495E-01  1.937943E+01
    7.0750  4.120787E-01  2.007520E+01
    7.1250  4.080090E-01  2.077387E+01
    7.1750  4.211541E-01  2.150520E+01
    7.2250  4.094576E-01  2.222617E+01
    7.2750  4.174790E-01  2.297147E+01
    7.3250  4.290748E-01  2.374803E+01
    7.3750  4.324155E-01  2.454137E+01
    7.4250  4.545920E-01  2.538673E+01
    7.4750  4.606280E-01  2.625490E+01
    7.5250  4.635146E-01  2.714023E+01
    7.5750  4.666813E-01  2.804350E+01
    7.6250  4.825579E-01  2.898987E+01
    7.6750  5.035690E-01  2.999043E+01
    7.7250  5.249247E-01  3.104707E+01
    7.7750  5.282323E-01  3.212417E+01
    7.8250  5.314450E-01  3.322180E+01
    7.8750  5.426446E-01  3.435693E+01
    7.9250  5.447719E-01  3.551103E+01
    7.9750  5.587207E-01  3.670967E+01
    8.0250  5.571048E-01  3.791987E+01
    8.0750  5.487418E-01  3.912680E+01
    8.1250  5.805399E-01  4.041953E+01
    8.1750  5.870345E-01  4.174287E+01
    8.2250  5.887273E-01  4.308630E+01
    8.2750  6.006695E-01  4.447370E+01
    8.3250  5.965416E-01  4.586827E+01
    8.3750  6.041489E-01  4.729763E+01
    8.4250  6.214606E-01  4.878557E+01
    8.4750  6.120443E-01  5.026840E+01
    8.5250  6.040702E-01  5.174923E+01
    8.5750  5.993981E-01  5.323590E+01
    8.6250  6.137232E-01  5.477590E+01
    8.6750  6.097023E-01  5.632360E+01
    8.7250  6.184547E-01  5.791167E+01
    8.7750  6.315631E-01  5.955203E+01
    8.8250  6.340703E-01  6.121773E+01
    8.8750  6.399564E-01  6.291800E+01
    8.9250  6.552734E-01  6.467863E+01
    8.9750  6.713390E-01  6.650270E+01
    9.0250  6.672211E-01  6.833583E+01
    9.0750  6.809718E-01  7.022753E+01
    9.1250  7.015265E-01  7.219787E+01
    9.1750  6.890883E-01  7.415453E+01
    9.2250  6.826258E-01  7.611403E+01
    9.2750  6.896565E-01  7.811523E+01
    9.3250  6.929746E-01  8.014780E+01
    9.3750  7.051440E-01  8.223830E+01
    9.4250  7.191639E-01  8.439317E+01
    9.4750  7.225023E-01  8.658107E+01
    9.5250  7.212544E-01  8.878830E+01
    9.5750  7.323134E-01  9.105297E+01
    9.6250  7.327464E-01  9.334270E+01
    9.6750  7.329202E-01  9.565683E+01
    9.7250  7.615667E-01  9.808633E+01
    9.7750  7.696814E-01  1.005670E+02
    9.8250  7.623588E-01  1.030493E+02
    9.8750  7.747436E-01  1.055977E+02
    9.9250  7.632555E-01  1.081338E+02
    9.9750  7.651078E-01  1.107017E+02
   10.0250  7.723916E-01  1.133201E+02
   10.0750  7.629821E-01  1.159324E+02
   10.1250  7.705993E-01  1.185971E+02
   10.1750  7.853609E-01  1.213398E+02
   10.2250  7.866783E-01  1.241141E+02
   10.2750  7.784510E-01  1.268863E+02
   10.3250  7.897659E-01  1.297262E+02
   10.3750  7.796841E-01  1.325571E+02
   10.4250  7.929819E-01  1.354641E+02
   10.4750  7.917792E-01  1.383946E+02
   10.5250  8.115987E-01  1.414272E+02
   10.5750  8.042603E-01  1.444610E+02
   10.6250  7.913251E-01  1.474743E+02
   10.6750  7.973363E-01  1.505391E+02
   10.7250  8.069213E-01  1.536699E+02
   10.7750  8.305259E-01  1.569224E+02
   10.8250  8.426557E-01  1.602531E+02
   10.8750  8.465981E-01  1.636304E+02
   10.9250  8.563613E-01  1.670781E+02
   10.9750  8.573795E-01  1.705616E+02
   11.0250  8.628724E-01  1.740994E+02
   11.0750  8.695043E-01  1.776968E+02
   11.1250  8.677185E-01  1.813193E+02
   11.1750  8.699496E-01  1.849838E+02
   11.2250  8.749145E-01  1.887023E+02
   11.2750  8.860226E-01  1.925016E+02
   11.3250  8.967083E-01  1.963810E+02
   11.3750  9.005736E-01  2.003115E+02
   11.4250  8.987271E-01  2.042685E+02
   11.4750  8.913024E-01  2.082273E+02
   11.5250  9.070882E-01  2.122914E+02
   11.5750  9.082595E-01  2.163961E+02
   11.6250  9.116002E-01  2.205515E+02
   11.6750  9.136325E-01  2.247522E+02
   11.7250  9.096811E-01  2.289705E+02
   11.7750  9.189208E-01  2.332682E+02
   11.8250  9.269827E-01  2.376404E+02
   11.8750  9.211061E-01  2.420217E+02
   11.9250  9.317161E-01  2.464909E+02
   11.9750  9.410215E-01  2.510427E+02
   12.0250  9.548762E-01  2.557001E+02
   12.0750  9.525830E-01  2.603851E+02
   12.1250  9.636244E-01  2.651637E+02
   12.1750  9.655260E-01  2.699913E+02
   12.2250  9.670336E-01  2.748662E+02
   12.2750  9.820084E-01  2.798572E+02
   12.3250  9.824554E-01  2.848913E+02
   12.3750  9.805660E-01  2.899565E+02
   12.4250  9.805442E-01  2.950626E+02
   12.4750  9.854695E-01  3.002357E+02
   12.5250  9.835764E-01  3.054404E+02
   12.5750  9.865441E-01  3.107025E+02
   12.6250  9.882871E-01  3.160159E+02
   12.6750  9.985342E-01  3.214271E+02
   12.7250  1.004715E+00  3.269147E+02
   12.7750  1.006905E+00  3.324577E+02
   12.8250  1.017664E+00  3.381038E+02
   12.8750  1.015385E+00  3.437812E+02
   12.9250  1.021534E+00  3.495375E+02
   12.9750  1.022352E+00  3.553431E+02
   13.0250  1.011029E+00  3.611287E+02
   13.0750  1.001652E+00  3.669047E+02
   13.1250  1.016540E+00  3.728115E+02
   13.1750  1.027922E+00  3.788301E+02
   13.2250  1.023006E+00  3.848654E+02
   13.2750  1.025733E+00  3.909626E+02
   13.3250  1.025742E+00  3.971059E+02
   13.3750  1.025484E+00  4.032938E+02
   13.4250  1.022366E+00  4.095092E+02
   13.4750  1.029853E+00  4.158167E+02
   13.5250  1.031706E+00  4.221826E+02
   13.5750  1.037795E+00  4.286335E+02
   13.6250  1.038043E+00  4.351336E+02
   13.6750  1.035323E+00  4.416643E+02
   13.7250  1.039035E+00  4.482664E+02
   13.7750  1.027001E+00  4.548397E+02
   13.8250  1.023872E+00  4.614407E+02
   13.8750  1.023652E+00  4.680880E+02
   13.9250  1.026175E+00  4.747998E+02
   13.9750  1.036161E+00  4.816257E+02
   14.0250  1.027886E+00  4.884457E+02
   14.0750  1.027620E+00  4.953125E+02
   14.1250  1.029669E+00  5.022421E+02
   14.1750  1.037089E+00  5.092710E+02
   14.2250  1.036292E+00  5.163442E+02
   14.2750  1.030617E+00  5.234282E+02
   14.3250  1.044889E+00  5.306607E+02
   14.3750  1.044825E+00  5.379434E+02
   14.4250  1.030684E+00  5.451775E+02
   14.4750  1.032217E+00  5.524727E+02
   14.5250  1.034800E+00  5.598368E+02
   14.5750  1.044226E+00  5.673192E+02
   14.6250  1.043955E+00  5.748510E+02
   14.6750  1.038771E+00  5.823968E+02
   14.7250  1.051249E+00  5.900854E+02
   14.7750  1.052023E+00  5.978320E+02
   14.8250  1.049439E+00  6.056119E+02
   14.8750  1.053338E+00  6.134735E+02
   14.9250  1.061806E+00  6.214517E+02
   14.9750  1.062986E+00  6.294923E+02
   15.0250  1.058470E+00  6.375523E+02
   15.0750  1.045851E+00  6.455694E+02
   15.1250  1.060382E+00  6.537518E+02
   15.1750  1.065688E+00  6.620296E+02
   15.2250  1.059476E+00  6.703135E+02
   15.2750  1.066871E+00  6.787101E+02
   15.3250  1.072704E+00  6.872080E+02
   15.3750  1.073932E+00  6.957712E+02
   15.4250  1.070947E+00  7.043662E+02
   15.4750  1.067001E+00  7.129852E+02
   15.5250  1.074325E+00  7.217195E+02
   15.5750  1.076087E+00  7.305246E+02
   15.6250  1.078533E+00  7.394064E+02
   15.6750  1.072934E+00  7.482988E+02
   15.7250  1.060887E+00  7.571475E+02
   15.7750  1.072713E+00  7.661518E+02
   15.8250  1.075669E+00  7.752383E+02
   15.8750  1.074511E+00  7.843724E+02
   15.9250  1.072056E+00  7.935432E+02
   15.9750  1.073414E+00  8.027833E+02

g(r)  :O       O       

        r      g(r)         n(r)

    3.7750  0.000000E+00  0.000000E+00
    3.8250  0.000000E+00  0.000000E+00
    3.8750  7.512142E-01  9.333333E-04
    3.9250  2.562690E+00  4.200000E-03
    3.9750  1.733740E+00  6.466667E-03
    4.0250  6.962671E-01  7.400000E-03
    4.0750  6.307654E-01  8.266667E-03
    4.1250  5.208643E-01  9.000000E-03
    4.1750  5.084634E-01  9.733333E-03
    4.2250  4.513637E-01  1.040000E-02
    4.2750  3.526939E-01  1.093333E-02
    4.3250  4.307330E-01  1.160000E-02
    4.3750  4.630384E-01  1.233333E-02
    4.4250  4.937820E-01  1.313333E-02
    4.4750  1.448429E+00  1.553333E-02
    4.5250  2.479043E+00  1.973333E-02
    4.5750  4.311384E+00  2.720000E-02
    4.6250  3.503002E+00  3.340000E-02
    4.6750  4.645028E+00  4.180000E-02
    4.7250  4.908134E+00  5.086667E-02
    4.7750  7.491526E+00  6.500000E-02
    4.8250  1.173239E+01  8.760000E-02
    4.8750  1.566297E+01  1.184000E-01
    4.9250  2.192365E+01  1.624000E-01
    4.9750  2.448010E+01  2.125333E-01
    5.0250  2.571843E+01  2.662667E-01
    5.0750  2.809221E+01  3.261333E-01
    5.1250  2.920323E+01  3.896000E-01
    5.1750  2.852131E+01  4.528000E-01
    5.2250  2.877490E+01  5.178000E-01
    5.2750  2.493103E+01  5.752000E-01
    5.3250  2.077113E+01  6.239333E-01
    5.3750  3.209966E+01  7.006667E-01
    5.4250  3.244150E+01  7.796667E-01
    5.4750  3.077651E+01  8.560000E-01
    5.5250  2.594604E+01  9.215333E-01
    5.5750  2.273485E+01  9.800000E-01
    5.6250  1.749420E+01  1.025800E+00
    5.6750  2.013940E+01  1.079467E+00
    5.7250  1.666714E+01  1.124667E+00
    5.7750  1.384309E+01  1.162867E+00
    5.8250  1.415262E+01  1.202600E+00
    5.8750  1.540674E+01  1.246600E+00
    5.9250  1.434452E+01  1.288267E+00
    5.9750  1.358637E+01  1.328400E+00
    6.0250  1.214104E+01  1.364867E+00
    6.0750  9.103873E+00  1.392667E+00
    6.1250  9.729013E+00  1.422867E+00
    6.1750  1.312201E+01  1.464267E+00
    6.2250  1.035460E+01  1.497467E+00
    6.2750  1.023117E+01  1.530800E+00
    6.3250  1.262785E+01  1.572600E+00
    6.3750  1.433378E+01  1.620800E+00
    6.4250  1.366264E+01  1.667467E+00
    6.4750  1.041604E+01  1.703600E+00
    6.5250  9.197256E+00  1.736000E+00
    6.5750  8.349675E+00  1.765867E+00
    6.6250  6.902385E+00  1.790933E+00
    6.6750  6.962117E+00  1.816600E+00
    6.7250  5.986016E+00  1.839000E+00
    6.7750  7.337378E+00  1.866867E+00
    6.8250  9.219452E+00  1.902400E+00
    6.8750  7.705065E+00  1.932533E+00
    6.9250  6.014877E+00  1.956400E+00
    6.9750  5.183692E+00  1.977267E+00
    7.0250  5.044860E+00  1.997867E+00
    7.0750  6.905383E+00  2.026467E+00
    7.1250  7.062747E+00  2.056133E+00
    7.1750  1.028265E+01  2.099933E+00
    7.2250  1.080453E+01  2.146600E+00
    7.2750  1.286394E+01  2.202933E+00
    7.3250  9.415335E+00  2.244733E+00
    7.3750  8.384475E+00  2.282467E+00
    7.4250  4.910547E+00  2.304867E+00
    7.4750  7.599268E+00  2.340000E+00
    7.5250  5.776923E+00  2.367067E+00
    7.5750  8.410952E+00  2.407000E+00
    7.6250  5.016635E+00  2.431133E+00
    7.6750  4.855738E+00  2.454800E+00
    7.7250  3.456421E+00  2.471867E+00
    7.7750  4.478392E+00  2.494267E+00
    7.8250  4.092375E+00  2.515000E+00
    7.8750  2.806314E+00  2.529400E+00
    7.9250  3.835804E+00  2.549333E+00
    7.9750  3.876536E+00  2.569733E+00
    8.0250  4.528999E+00  2.593867E+00
    8.0750  4.917924E+00  2.620400E+00
    8.1250  3.734724E+00  2.640800E+00
    8.1750  3.146653E+00  2.658200E+00
    8.2250  2.917952E+00  2.674533E+00
    8.2750  2.906329E+00  2.691000E+00
    8.3250  2.743642E+00  2.706733E+00
    8.3750  3.825238E+00  2.728933E+00
    8.4250  4.438343E+00  2.755000E+00
    8.4750  4.677788E+00  2.782800E+00
    8.5250  5.454567E+00  2.815600E+00
    8.5750  6.432115E+00  2.854733E+00
    8.6250  6.195292E+00  2.892867E+00
    8.6750  7.858525E+00  2.941800E+00
    8.7250  7.017245E+00  2.986000E+00
    8.7750  8.528003E+00  3.040333E+00
    8.8250  7.521232E+00  3.088800E+00
    8.8750  5.677280E+00  3.125800E+00
    8.9250  6.777076E+00  3.170467E+00
    8.9750  5.671503E+00  3.208267E+00
    9.0250  6.093550E+00  3.249333E+00
    9.0750  5.821136E+00  3.289000E+00
    9.1250  4.277013E+00  3.318467E+00
    9.1750  4.728233E+00  3.351400E+00
    9.2250  4.270000E+00  3.381467E+00
    9.2750  4.111694E+00  3.410733E+00
    9.3250  3.298652E+00  3.434467E+00
    9.3750  2.768526E+00  3.454600E+00
    9.4250  3.546486E+00  3.480667E+00
    9.4750  2.306529E+00  3.497800E+00
    9.5250  1.918262E+00  3.512200E+00
    9.5750  1.564324E+00  3.524067E+00
    9.6250  1.730756E+00  3.537333E+00
    9.6750  1.644052E+00  3.550067E+00
    9.7250  2.538758E+00  3.569933E+00
    9.7750  3.625928E+00  3.598600E+00
    9.8250  3.447221E+00  3.626133E+00
    9.8750  3.585913E+00  3.655067E+00
    9.9250  2.691034E+00  3.677000E+00
    9.9750  2.680319E+00  3.699067E+00
   10.0250  3.888277E+00  3.731400E+00
   10.0750  2.873444E+00  3.755533E+00
   10.1250  1.846980E+00  3.771200E+00
   10.1750  2.825024E+00  3.795400E+00
   10.2250  2.142409E+00  3.813933E+00
   10.2750  2.228453E+00  3.833400E+00
   10.3250  1.836583E+00  3.849600E+00
   10.3750  2.597393E+00  3.872733E+00
   10.4250  2.157373E+00  3.892133E+00
   10.4750  2.533351E+00  3.915133E+00
   10.5250  2.632987E+00  3.939267E+00
   10.5750  2.615352E+00  3.963467E+00
   10.6250  2.612207E+00  3.987867E+00
   10.6750  1.661562E+00  4.003533E+00
   10.7250  2.094406E+00  4.023467E+00
   10.7750  3.178449E+00  4.054000E+00
   10.8250  2.922251E+00  4.082333E+00
   10.8750  2.064280E+00  4.102533E+00
   10.9250  1.174602E+00  4.114133E+00
   10.9750  1.578655E+00  4.129867E+00
   11.0250  1.902432E+00  4.149000E+00
   11.0750  1.957552E+00  4.168867E+00
   11.1250  1.621003E+00  4.185467E+00
   11.1750  2.367857E+00  4.209933E+00
   11.2250  1.867216E+00  4.229400E+00
   11.2750  1.945762E+00  4.249867E+00
   11.3250  2.387216E+00  4.275200E+00
   11.3750  2.204372E+00  4.298800E+00
   11.4250  2.499926E+00  4.325800E+00
   11.4750  2.337451E+00  4.351267E+00
   11.5250  1.819801E+00  4.371267E+00
   11.5750  1.689853E+00  4.390000E+00
   11.6250  2.313291E+00  4.415867E+00
   11.6750  1.862007E+00  4.436867E+00
   11.7250  1.857882E+00  4.458000E+00
   11.7750  2.283785E+00  4.484200E+00
   11.8250  2.097411E+00  4.508467E+00
   11.8750  2.879704E+00  4.542067E+00
   11.9250  2.793281E+00  4.574933E+00
   11.9750  3.275684E+00  4.613800E+00
   12.0250  4.184603E+00  4.663867E+00
   12.0750  3.696889E+00  4.708467E+00
   12.1250  2.055192E+00  4.733467E+00
   12.1750  1.407818E+00  4.750733E+00
   12.2250  1.358587E+00  4.767533E+00
   12.2750  1.566784E+00  4.787067E+00
   12.3250  2.593699E+00  4.819667E+00
   12.3750  1.488952E+00  4.838533E+00
   12.4250  1.659659E+00  4.859733E+00
   12.4750  1.905247E+00  4.884267E+00
   12.5250  1.818161E+00  4.907867E+00
   12.5750  9.477233E-01  4.920267E+00
   12.6250  1.096937E+00  4.934733E+00
   12.6750  9.930105E-01  4.947933E+00
   12.7250  1.129522E+00  4.963067E+00
   12.7750  1.105887E+00  4.978000E+00
   12.8250  7.347864E-01  4.988000E+00
   12.8750  1.895635E-01  4.990600E+00
   12.9250  2.604458E-01  4.994200E+00
   12.9750  1.818668E-01  4.996733E+00
   13.0250  6.649013E-02  4.997667E+00
   13.0750  6.126954E-02  4.998533E+00
   13.1250  1.028984E-01  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
   14.0250  0.000000E+00  5.000000E+00
   14.0750  0.000000E+00  5.000000E+00
   14.1250  0.000000E+00  5.000000E+00
   14.1750  0.000000E+00  5.000000E+00
   14.2250  0.000000E+00  5.000000E+00
   14.2750  0.000000E+00  5.000000E+00
   14.3250  0.000000E+00  5.000000E+00
   14.3750  0.000000E+00  5.000000E+00
   14.4250  0.000000E+00  5.000000E+00
   14.4750  0.000000E+00  5.000000E+00
   14.5250  0.000000E+00  5.000000E+00
   14.5750  0.000000E+00  5.000000E+00
   14.6250  0.000000E+00  5.000000E+00
   14.6750  0.000000E+00  5.000000E+00
   14.7250  0.000000E+00  5.000000E+00
   14.7750  0.000000E+00  5.000000E+00
   14.8250  0.000000E+00  5.000000E+00
   14.8750  0.000000E+00  5.000000E+00
   14.9250  0.000000E+00  5.000000E+00
   14.9750  0.000000E+00  5.000000E+00
   15.0250  0.000000E+00  5.000000E+00
   15.0750  0.000000E+00  5.000000E+00
   15.1250  0.000000E+00  5.000000E+00
   15.1750  0.000000E+00  5.000000E+00
   15.2250  0.000000E+00  5.000000E+00
   15.2750  0.000000E+00  5.000000E+00
   15.3250  0.000000E+00  5.000000E+00
   15.3750  0.000000E+00  5.000000E+00
   15.4250  0.000000E+00  5.000000E+00
   15.4750  0.000000E+00  5.000000E+00
   15.5250  0.000000E+00  5.000000E+00
   15.5750  0.000000E+00  5.000000E+00
   15.6250  0.000000E+00  5.000000E+00
   15.6750  0.000000E+00  5.000000E+00
   15.7250  0.000000E+00  5.000000E+00
   15.7750  0.000000E+00  5.000000E+00
   15.8250  0.000000E+00  5.000000E+00
   15.8750  0.000000E+00  5.000000E+00
   15.9250  0.000000E+00  5.000000E+00
   15.9750  0.000000E+00  5.000000E+00

g(r)  :O       K       

        r      g(r)         n(r)

    2.6250  0.000000E+00  0.000000E+00
    2.6750  0.000000E+00  0.000000E+00
    2.7250  1.627538E+00  1.666667E-04
    2.7750  1.255535E+01  1.500000E-03
    2.8250  1.120624E+01  2.733333E-03
    2.8750  9.357714E+00  3.800000E-03
    2.9250  1.214822E+01  5.233333E-03
    2.9750  7.919910E+00  6.200000E-03
    3.0250  7.396118E+00  7.133333E-03
    3.0750  7.157554E+00  8.066667E-03
    3.1250  1.014801E+01  9.433333E-03
    3.1750  2.733473E+01  1.323333E-02
    3.2250  4.183221E+01  1.923333E-02
    3.2750  4.462113E+01  2.583333E-02
    3.3250  5.509542E+01  3.423333E-02
    3.3750  4.095512E+01  4.066667E-02
    3.4250  2.575654E+01  4.483333E-02
    3.4750  2.442020E+01  4.890000E-02
    3.5250  2.917912E+01  5.390000E-02
    3.5750  2.099279E+01  5.760000E-02
    3.6250  1.931403E+01  6.110000E-02
    3.6750  1.217009E+01  6.336667E-02
    3.7250  1.620057E+01  6.646667E-02
    3.7750  2.510313E+01  7.140000E-02
    3.8250  2.461635E+01  7.636667E-02
    3.8750  1.819011E+01  8.013333E-02
    3.9250  1.192435E+01  8.266667E-02
    3.9750  2.585313E+01  8.830000E-02
    4.0250  8.653605E+00  9.023333E-02
    4.0750  9.170358E+00  9.233333E-02
    4.1250  1.079610E+01  9.486667E-02
    4.1750  3.064648E+01  1.022333E-01
    4.2250  1.313468E+01  1.054667E-01
    4.2750  1.759061E+01  1.099000E-01
    4.3250  2.455178E+01  1.162333E-01
    4.3750  1.048151E+01  1.190000E-01
    4.4250  1.148043E+01  1.221000E-01
    4.4750  1.013900E+01  1.249000E-01
    4.5250  9.680074E+00  1.276333E-01
    4.5750  1.743801E+01  1.326667E-01
    4.6250  1.875801E+01  1.382000E-01
    4.6750  1.548343E+01  1.428667E-01
    4.7250  2.782479E+01  1.514333E-01
    4.7750  3.000144E+01  1.608667E-01
    4.8250  3.768899E+01  1.729667E-01
    4.8750  2.674910E+01  1.817333E-01
    4.9250  1.255627E+01  1.859333E-01
    4.9750  1.464900E+01  1.909333E-01
    5.0250  1.196577E+01  1.951000E-01
    5.0750  1.116806E+01  1.990667E-01
    5.1250  2.070607E+01  2.065667E-01
    5.1750  1.227499E+01  2.111000E-01
    5.2250  1.292657E+01  2.159667E-01
    5.2750  2.145632E+01  2.242000E-01
    5.3250  1.952088E+01  2.318333E-01
    5.3750  1.564545E+01  2.380667E-01
    5.4250  1.839721E+01  2.455333E-01
    5.4750  3.636735E+01  2.605667E-01
    5.5250  2.613081E+01  2.715667E-01
    5.5750  2.348663E+01  2.816333E-01
    5.6250  2.574473E+01  2.928667E-01
    5.6750  2.214083E+01  3.027000E-01
    5.7250  2.064956E+01  3.120333E-01
    5.7750  2.246785E+01  3.223667E-01
    5.8250  2.678550E+01  3.349000E-01
    5.8750  2.177953E+01  3.452667E-01
    5.9250  1.810852E+01  3.540333E-01
    5.9750  1.990561E+01  3.638333E-01
    6.0250  2.570260E+01  3.767000E-01
    6.0750  1.788027E+01  3.858000E-01
    6.1250  2.654539E+01  3.995333E-01
    6.1750  3.689378E+01  4.189333E-01
    6.2250  3.736390E+01  4.389000E-01
    6.2750  2.737862E+01  4.537667E-01
    6.3250  3.075395E+01  4.707333E-01
    6.3750  2.599114E+01  4.853000E-01
    6.4250  2.418288E+01  4.990667E-01
    6.4750  2.352258E+01  5.126667E-01
    6.5250  3.196330E+01  5.314333E-01
    6.5750  2.918659E+01  5.488333E-01
    6.6250  2.313033E+01  5.628333E-01
    6.6750  2.446687E+01  5.778667E-01
    6.7250  1.528572E+01  5.874000E-01
    6.7750  1.643011E+01  5.978000E-01
    6.8250  1.333621E+01  6.063667E-01
    6.8750  1.733640E+01  6.176667E-01
    6.9250  2.772220E+01  6.360000E-01
    6.9750  2.369925E+01  6.519000E-01
    7.0250  1.900394E+01  6.648333E-01
    7.0750  2.163365E+01  6.797667E-01
    7.1250  2.656863E+01  6.983667E-01
    7.1750  2.549533E+01  7.164667E-01
    7.2250  2.153188E+01  7.319667E-01
    7.2750  1.666985E+01  7.441333E-01
    7.3250  2.076780E+01  7.595000E-01
    7.3750  1.719854E+01  7.724000E-01
    7.4250  1.863377E+01  7.865667E-01
    7.4750  1.284810E+01  7.964667E-01
    7.5250  1.647704E+01  8.093333E-01
    7.5750  1.230049E+01  8.190667E-01
    7.6250  1.247230E+01  8.290667E-01
    7.6750  2.868305E+01  8.523667E-01
    7.7250  1.628298E+01  8.657667E-01
    7.7750  1.563439E+01  8.788000E-01
    7.8250  1.306665E+01  8.898333E-01
    7.8750  1.255046E+01  9.005667E-01
    7.9250  9.852499E+00  9.091000E-01
    7.9750  1.216168E+01  9.197667E-01
    8.0250  9.983816E+00  9.286333E-01
    8.0750  7.562234E+00  9.354333E-01
    8.1250  8.165131E+00  9.428667E-01
    8.1750  4.304042E+00  9.468333E-01
    8.2250  4.680633E+00  9.512000E-01
    8.2750  3.953549E+00  9.549333E-01
    8.3250  3.278419E+00  9.580667E-01
    8.3750  3.859700E+00  9.618000E-01
    8.4250  3.201055E+00  9.649333E-01
    8.4750  4.745094E+00  9.696333E-01
    8.5250  4.623078E+00  9.742667E-01
    8.5750  2.333970E+00  9.766333E-01
    8.6250  2.274495E+00  9.789667E-01
    8.6750  2.312591E+00  9.813667E-01
    8.7250  4.985102E+00  9.866000E-01
    8.7750  4.614539E+00  9.915000E-01
    8.8250  2.607085E+00  9.943000E-01
    8.8750  1.380960E+00  9.958000E-01
    8.9250  1.335185E+00  9.972667E-01
    8.9750  1.680445E+00  9.991333E-01
    9.0250  7.715858E-01  1.000000E+00
    9.0750  0.000000E+00  1.000000E+00
    9.1250  0.000000E+00  1.000000E+00
    9.1750  0.000000E+00  1.000000E+00
    9.2250  0.000000E+00  1.000000E+00
    9.2750  0.000000E+00  1.000000E+00
    9.3250  0.000000E+00  1.000000E+00
    9.3750  0.000000E+00  1.000000E+00
    9.4250  0.000000E+00  1.000000E+00
    9.4750  0.000000E+00  1.000000E+00
    9.5250  0.000000E+00  1.000000E+00
    9.5750  0.000000E+00  1.000000E+00
    9.6250  0.000000E+00  1.000000E+00
    9.6750  0.000000E+00  1.000000E+00
    9.7250  0.000000E+00  1.000000E+00
    9.7750  0.000000E+00  1.000000E+00
    9.8250  0.000000E+00  1.000000E+00
    9.8750  0.000000E+00  1.000000E+00
    9.9250  0.000000E+00  1.000000E+00
    9.9750  0.000000E+00  1.000000E+00
   10.0250  0.000000E+00  1.000000E+00
   10.0750  0.000000E+00  1.000000E+00
   10.1250  0.000000E+00  1.000000E+00
   10.1750  0.000000E+00  1.000000E+00
   10.2250  0.000000E+00  1.000000E+00
   10.2750  0.000000E+00  1.000000E+00
   10.3250  0.000000E+00  1.000000E+00
   10.3750  0.000000E+00  1.000000E+00
   10.4250  0.000000E+00  1.000000E+00
   10.4750  0.000000E+00  1.000000E+00
   10.5250  0.000000E+00  1.000000E+00
   10.5750  0.000000E+00  1.000000E+00
   10.6250  0.000000E+00  1.000000E+00
   10.6750  0.000000E+00  1.000000E+00
   10.7250  0.000000E+00  1.000000E+00
   10.7750  0.000000E+00  1.000000E+00
   10.8250  0.000000E+00  1.000000E+00
   10.8750  0.000000E+00  1.000000E+00
   10.9250  0.000000E+00  1.000000E+00
   10.9750  0.000000E+00  1.000000E+00
   11.0250  0.000000E+00  1.000000E+00
   11.0750  0.000000E+00  1.000000E+00
   11.1250  0.000000E+00  1.000000E+00
   11.1750  0.000000E+00  1.000000E+00
   11.2250  0.000000E+00  1.000000E+00
   11.2750  0.000000E+00  1.000000E+00
   11.3250  0.000000E+00  1.000000E+00
   11.3750  0.000000E+00  1.000000E+00
   11.4250  0.000000E+00  1.000000E+00
   11.4750  0.000000E+00  1.000000E+00
   11.5250  0.000000E+00  1.000000E+00
   11.5750  0.000000E+00  1.000000E+00
   11.6250  0.000000E+00  1.000000E+00
   11.6750  0.000000E+00  1.000000E+00
   11.7250  0.000000E+00  1.000000E+00
   11.7750  0.000000E+00  1.000000E+00
   11.8250  0.000000E+00  1.000000E+00
   11.8750  0.000000E+00  1.000000E+00
   11.9250  0.000000E+00  1.000000E+00
   11.9750  0.000000E+00  1.000000E+00
   12.0250  0.000000E+00  1.000000E+00
   12.0750  0.000000E+00  1.000000E+00
   12.1250  0.000000E+00  1.000000E+00
   12.1750  0.000000E+00  1.000000E+00
   12.2250  0.000000E+00  1.000000E+00
   12.2750  0.000000E+00  1.000000E+00
   12.3250  0.000000E+00  1.000000E+00
   12.3750  0.000000E+00  1.000000E+00
   12.4250  0.000000E+00  1.000000E+00
   12.4750  0.000000E+00  1.000000E+00
   12.5250  0.000000E+00  1.000000E+00
   12.5750  0.000000E+00  1.000000E+00
   12.6250  0.000000E+00  1.000000E+00
   12.6750  0.000000E+00  1.000000E+00
   12.7250  0.000000E+00  1.000000E+00
   12.7750  0.000000E+00  1.000000E+00
   12.8250  0.000000E+00  1.000000E+00
   12.8750  0.000000E+00  1.000000E+00
   12.9250  0.000000E+00  1.000000E+00
   12.9750  0.000000E+00  1.000000E+00
   13.0250  0.000000E+00  1.000000E+00
   13.0750  0.000000E+00  1.000000E+00
   13.1250  0.000000E+00  1.000000E+00
   13.1750  0.000000E+00  1.000000E+00
   13.2250  0.000000E+00  1.000000E+00
   13.2750  0.000000E+00  1.000000E+00
   13.3250  0.000000E+00  1.000000E+00
   13.3750  0.000000E+00  1.000000E+00
   13.4250  0.000000E+00  1.000000E+00
   13.4750  0.000000E+00  1.000000E+00
   13.5250  0.000000E+00  1.000000E+00
   13.5750  0.000000E+00  1.000000E+00
   13.6250  0.000000E+00  1.000000E+00
   13.6750  0.000000E+00  1.000000E+00
   13.7250  0.000000E+00  1.000000E+00
   13.7750  0.000000E+00  1.000000E+00
   13.8250  0.000000E+00  1.000000E+00
   13.8750  0.000000E+00  1.000000E+00
   13.9250  0.000000E+00  1.000000E+00
   13.9750  0.000000E+00  1.000000E+00
   14.0250  0.000000E+00  1.000000E+00
   14.0750  0.000000E+00  1.000000E+00
   14.1250  0.000000E+00  1.000000E+00
   14.1750  0.000000E+00  1.000000E+00
   14.2250  0.000000E+00  1.000000E+00
   14.2750  0.000000E+00  1.000000E+00
   14.3250  0.000000E+00  1.000000E+00
   14.3750  0.000000E+00  1.000000E+00
   14.4250  0.000000E+00  1.000000E+00
   14.4750  0.000000E+00  1.000000E+00
   14.5250  0.000000E+00  1.000000E+00
   14.5750  0.000000E+00  1.000000E+00
   14.6250  0.000000E+00  1.000000E+00
   14.6750  0.000000E+00  1.000000E+00
   14.7250  0.000000E+00  1.000000E+00
   14.7750  0.000000E+00  1.000000E+00
   14.8250  0.000000E+00  1.000000E+00
   14.8750  0.000000E+00  1.000000E+00
   14.9250  0.000000E+00  1.000000E+00
   14.9750  0.000000E+00  1.000000E+00
   15.0250  0.000000E+00  1.000000E+00
   15.0750  0.000000E+00  1.000000E+00
   15.1250  0.000000E+00  1.000000E+00
   15.1750  0.000000E+00  1.000000E+00
   15.2250  0.000000E+00  1.000000E+00
   15.2750  0.000000E+00  1.000000E+00
   15.3250  0.000000E+00  1.000000E+00
   15.3750  0.000000E+00  1.000000E+00
   15.4250  0.000000E+00  1.000000E+00
   15.4750  0.000000E+00  1.000000E+00
   15.5250  0.000000E+00  1.000000E+00
   15.5750  0.000000E+00  1.000000E+00
   15.6250  0.000000E+00  1.000000E+00
   15.6750  0.000000E+00  1.000000E+00
   15.7250  0.000000E+00  1.000000E+00
   15.7750  0.000000E+00  1.000000E+00
   15.8250  0.000000E+00  1.000000E+00
   15.8750  0.000000E+00  1.000000E+00
   15.9250  0.000000E+00  1.000000E+00
   15.9750  0.000000E+00  1.000000E+00

g(r)  :O       OW      

        r      g(r)         n(r)

    2.3750  0.000000E+00  0.000000E+00
    2.4250  0.000000E+00  0.000000E+00
    2.4750  7.420662E-03  7.666667E-04
    2.5250  4.587803E-02  5.700000E-03
    2.5750  2.044730E-01  2.856667E-02
    2.6250  3.453303E-01  6.870000E-02
    2.6750  4.441256E-01  1.223000E-01
    2.7250  4.710945E-01  1.813000E-01
    2.7750  6.334136E-01  2.635667E-01
    2.8250  5.007407E-01  3.309667E-01
    2.8750  4.947136E-01  3.999333E-01
    2.9250  4.763282E-01  4.686667E-01
    2.9750  3.943542E-01  5.275333E-01
    3.0250  3.514041E-01  5.817667E-01
    3.0750  2.947130E-01  6.287667E-01
    3.1250  2.695721E-01  6.731667E-01
    3.1750  2.958508E-01  7.234667E-01
    3.2250  2.333513E-01  7.644000E-01
    3.2750  1.767126E-01  7.963667E-01
    3.3250  1.455167E-01  8.235000E-01
    3.3750  1.299590E-01  8.484667E-01
    3.4250  1.386599E-01  8.759000E-01
    3.4750  1.356805E-01  9.035333E-01
    3.5250  1.296319E-01  9.307000E-01
    3.5750  1.322169E-01  9.592000E-01
    3.6250  1.531105E-01  9.931333E-01
    3.6750  1.814597E-01  1.034467E+00
    3.7250  1.863068E-01  1.078067E+00
    3.7750  1.947183E-01  1.124867E+00
    3.8250  1.843926E-01  1.170367E+00
    3.8750  1.692667E-01  1.213233E+00
    3.9250  1.793502E-01  1.259833E+00
    3.9750  1.649851E-01  1.303800E+00
    4.0250  1.855546E-01  1.354500E+00
    4.0750  2.331598E-01  1.419800E+00
    4.1250  2.484492E-01  1.491100E+00
    4.1750  2.537593E-01  1.565700E+00
    4.2250  2.691575E-01  1.646733E+00
    4.2750  2.555445E-01  1.725500E+00
    4.3250  3.035558E-01  1.821267E+00
    4.3750  3.378566E-01  1.930333E+00
    4.4250  3.529754E-01  2.046900E+00
    4.4750  3.294395E-01  2.158167E+00
    4.5250  3.534734E-01  2.280233E+00
    4.5750  3.846932E-01  2.416033E+00
    4.6250  4.161507E-01  2.566167E+00
    4.6750  3.773644E-01  2.705267E+00
    4.7250  3.771220E-01  2.847267E+00
    4.7750  3.933632E-01  2.998533E+00
    4.8250  4.099573E-01  3.159500E+00
    4.8750  4.307811E-01  3.332167E+00
    4.9250  4.247677E-01  3.505933E+00
    4.9750  4.382322E-01  3.688867E+00
    5.0250  3.982459E-01  3.858467E+00
    5.0750  4.237413E-01  4.042533E+00
    5.1250  3.646466E-01  4.204067E+00
    5.1750  4.202905E-01  4.393900E+00
    5.2250  4.726620E-01  4.611533E+00
    5.2750  4.599086E-01  4.827367E+00
    5.3250  4.292870E-01  5.032667E+00
    5.3750  4.142228E-01  5.234500E+00
    5.4250  4.144126E-01  5.440200E+00
    5.4750  3.891418E-01  5.636933E+00
    5.5250  4.213665E-01  5.853867E+00
    5.5750  4.272597E-01  6.077833E+00
    5.6250  4.233207E-01  6.303733E+00
    5.6750  4.173057E-01  6.530400E+00
    5.7250  4.623296E-01  6.785967E+00
    5.7750  4.227129E-01  7.023733E+00
    5.8250  4.102448E-01  7.258500E+00
    5.8750  4.184660E-01  7.502100E+00
    5.9250  4.349098E-01  7.759600E+00
    5.9750  4.424981E-01  8.026033E+00
    6.0250  4.679061E-01  8.312500E+00
    6.0750  4.467939E-01  8.590600E+00
    6.1250  4.483797E-01  8.874300E+00
    6.1750  4.448799E-01  9.160400E+00
    6.2250  4.641307E-01  9.463733E+00
    6.2750  4.529490E-01  9.764533E+00
    6.3250  4.619216E-01  1.007620E+01
    6.3750  5.038220E-01  1.042153E+01
    6.4250  5.096082E-01  1.077633E+01
    6.4750  5.329755E-01  1.115320E+01
    6.5250  5.287380E-01  1.153287E+01
    6.5750  5.178010E-01  1.191040E+01
    6.6250  5.321246E-01  1.230430E+01
    6.6750  5.392201E-01  1.270950E+01
    6.7250  5.233656E-01  1.310870E+01
    6.7750  5.523551E-01  1.353630E+01
    6.8250  5.856609E-01  1.399640E+01
    6.8750  5.762951E-01  1.445580E+01
    6.9250  5.407611E-01  1.489317E+01
    6.9750  5.585890E-01  1.535150E+01
    7.0250  5.805420E-01  1.583470E+01
    7.0750  5.409359E-01  1.629137E+01
    7.1250  5.077142E-01  1.672607E+01
    7.1750  5.704200E-01  1.722133E+01
    7.2250  6.052984E-01  1.775423E+01
    7.2750  5.747502E-01  1.826727E+01
    7.3250  6.065652E-01  1.881617E+01
    7.3750  6.126128E-01  1.937813E+01
    7.4250  6.603871E-01  1.999217E+01
    7.4750  6.563573E-01  2.061070E+01
    7.5250  6.527947E-01  2.123413E+01
    7.5750  6.902915E-01  2.190217E+01
    7.6250  7.239303E-01  2.261203E+01
    7.6750  7.388206E-01  2.334603E+01
    7.7250  7.553524E-01  2.410627E+01
    7.7750  7.246459E-01  2.484507E+01
    7.8250  7.156085E-01  2.558407E+01
    7.8750  7.081756E-01  2.632477E+01
    7.9250  7.339150E-01  2.710217E+01
    7.9750  7.532063E-01  2.791010E+01
    8.0250  7.107053E-01  2.868203E+01
    8.0750  7.262100E-01  2.948067E+01
    8.1250  7.083179E-01  3.026930E+01
    8.1750  6.860171E-01  3.104253E+01
    8.2250  7.120587E-01  3.185497E+01
    8.2750  7.136685E-01  3.267917E+01
    8.3250  6.986197E-01  3.349577E+01
    8.3750  7.016304E-01  3.432577E+01
    8.4250  6.805744E-01  3.514050E+01
    8.4750  6.636523E-01  3.594443E+01
    8.5250  6.498802E-01  3.674100E+01
    8.5750  6.521612E-01  3.754977E+01
    8.6250  6.681878E-01  3.838810E+01
    8.6750  6.774470E-01  3.924793E+01
    8.7250  7.003926E-01  4.014717E+01
    8.7750  6.853238E-01  4.103717E+01
    8.8250  6.787221E-01  4.192867E+01
    8.8750  6.878829E-01  4.284247E+01
    8.9250  6.951340E-01  4.377633E+01
    8.9750  7.070149E-01  4.473683E+01
    9.0250  7.415697E-01  4.575553E+01
    9.0750  7.313328E-01  4.677133E+01
    9.1250  7.445130E-01  4.781687E+01
    9.1750  7.402005E-01  4.886777E+01
    9.2250  7.153142E-01  4.989443E+01
    9.2750  7.189263E-01  5.093750E+01
    9.3250  6.871900E-01  5.194530E+01
    9.3750  6.993310E-01  5.298193E+01
    9.4250  7.024992E-01  5.403440E+01
    9.4750  7.214346E-01  5.512673E+01
    9.5250  7.177580E-01  5.622500E+01
    9.5750  7.025854E-01  5.731137E+01
    9.6250  7.510512E-01  5.848483E+01
    9.6750  7.464545E-01  5.966327E+01
    9.7250  7.638968E-01  6.088173E+01
    9.7750  7.404645E-01  6.207500E+01
    9.8250  7.882693E-01  6.335833E+01
    9.8750  7.974536E-01  6.466987E+01
    9.9250  7.992905E-01  6.599777E+01
    9.9750  7.768172E-01  6.730137E+01
   10.0250  7.825588E-01  6.862780E+01
   10.0750  7.973972E-01  6.999290E+01
   10.1250  7.829862E-01  7.134667E+01
   10.1750  8.039834E-01  7.275050E+01
   10.2250  8.050056E-01  7.416997E+01
   10.2750  7.803417E-01  7.555943E+01
   10.3250  7.610853E-01  7.692783E+01
   10.3750  8.152591E-01  7.840787E+01
   10.4250  8.152411E-01  7.990217E+01
   10.4750  8.305508E-01  8.143917E+01
   10.5250  8.355957E-01  8.300030E+01
   10.5750  8.281369E-01  8.456223E+01
   10.6250  8.308655E-01  8.614417E+01
   10.6750  8.467573E-01  8.777157E+01
   10.7250  8.206672E-01  8.936363E+01
   10.7750  8.110257E-01  9.095170E+01
   10.8250  8.165886E-01  9.256553E+01
   10.8750  8.075596E-01  9.417630E+01
   10.9250  8.318290E-01  9.585077E+01
   10.9750  8.295013E-01  9.753587E+01
   11.0250  8.451326E-01  9.926840E+01
   11.0750  8.548088E-01  1.010367E+02
   11.1250  8.636863E-01  1.028395E+02
   11.1750  8.461466E-01  1.046217E+02
   11.2250  8.472839E-01  1.064222E+02
   11.2750  8.833019E-01  1.083160E+02
   11.3250  8.814370E-01  1.102227E+02
   11.3750  8.805330E-01  1.121442E+02
   11.4250  8.956912E-01  1.141160E+02
   11.4750  8.972687E-01  1.161087E+02
   11.5250  8.802896E-01  1.180807E+02
   11.5750  8.641303E-01  1.200333E+02
   11.6250  8.650053E-01  1.220048E+02
   11.6750  8.458527E-01  1.239493E+02
   11.7250  8.482144E-01  1.259160E+02
   11.7750  8.529716E-01  1.279106E+02
   11.8250  8.882191E-01  1.300053E+02
   11.8750  8.832219E-01  1.321059E+02
   11.9250  8.742604E-01  1.342027E+02
   11.9750  8.888202E-01  1.363523E+02
   12.0250  8.904515E-01  1.385239E+02
   12.0750  8.825909E-01  1.406943E+02
   12.1250  8.845357E-01  1.428875E+02
   12.1750  8.698320E-01  1.450620E+02
   12.2250  8.608667E-01  1.472319E+02
   12.2750  8.869884E-01  1.494859E+02
   12.3250  8.967075E-01  1.517833E+02
   12.3750  9.036854E-01  1.541173E+02
   12.4250  9.099589E-01  1.564866E+02
   12.4750  8.945768E-01  1.588346E+02
   12.5250  9.142334E-01  1.612534E+02
   12.5750  9.099648E-01  1.636803E+02
   12.6250  9.419674E-01  1.662125E+02
   12.6750  9.165030E-01  1.686958E+02
   12.7250  9.176025E-01  1.712017E+02
   12.7750  9.431318E-01  1.737976E+02
   12.8250  9.362249E-01  1.763948E+02
   12.8750  9.448130E-01  1.790362E+02
   12.9250  9.503300E-01  1.817137E+02
   12.9750  9.531162E-01  1.844199E+02
   13.0250  9.639167E-01  1.871779E+02
   13.0750  9.597610E-01  1.899452E+02
   13.1250  9.665973E-01  1.927535E+02
   13.1750  9.799975E-01  1.956224E+02
   13.2250  9.710758E-01  1.984869E+02
   13.2750  9.682045E-01  2.013645E+02
   13.3250  9.791295E-01  2.042966E+02
   13.3750  9.671934E-01  2.072147E+02
   13.4250  9.805966E-01  2.101954E+02
   13.4750  9.895949E-01  2.132259E+02
   13.5250  9.850684E-01  2.162650E+02
   13.5750  9.764740E-01  2.192998E+02
   13.6250  9.815532E-01  2.223730E+02
   13.6750  9.656693E-01  2.254187E+02
   13.7250  9.645428E-01  2.284831E+02
   13.7750  9.806766E-01  2.316215E+02
   13.8250  1.008403E+00  2.348721E+02
   13.8750  9.733983E-01  2.380326E+02
   13.9250  9.788556E-01  2.412337E+02
   13.9750  9.765898E-01  2.444505E+02
   14.0250  9.957735E-01  2.477539E+02
   14.0750  9.917342E-01  2.510674E+02
   14.1250  9.874695E-01  2.543902E+02
   14.1750  1.011628E+00  2.578184E+02
   14.2250  1.020567E+00  2.613013E+02
   14.2750  1.021849E+00  2.648132E+02
   14.3250  1.012060E+00  2.683158E+02
   14.3750  1.014357E+00  2.718510E+02
   14.4250  9.854722E-01  2.753094E+02
   14.4750  9.954286E-01  2.788270E+02
   14.5250  1.009169E+00  2.824178E+02
   14.5750  1.014007E+00  2.860507E+02
   14.6250  1.019255E+00  2.897276E+02
   14.6750  1.020306E+00  2.934334E+02
   14.7250  1.012413E+00  2.971357E+02
   14.7750  1.012055E+00  3.008618E+02
   14.8250  1.029664E+00  3.046785E+02
   14.8750  1.009972E+00  3.084474E+02
   14.9250  1.012319E+00  3.122506E+02
   14.9750  9.896975E-01  3.159937E+02
   15.0250  1.011864E+00  3.198463E+02
   15.0750  1.034697E+00  3.238121E+02
   15.1250  1.030209E+00  3.277869E+02
   15.1750  1.065804E+00  3.319262E+02
   15.2250  1.084113E+00  3.361645E+02
   15.2750  1.078671E+00  3.404092E+02
   15.3250  1.054602E+00  3.445865E+02
   15.3750  1.059626E+00  3.488110E+02
   15.4250  1.077971E+00  3.531367E+02
   15.4750  1.077874E+00  3.574901E+02
   15.5250  1.066474E+00  3.618254E+02
   15.5750  1.078491E+00  3.662377E+02
   15.6250  1.080172E+00  3.706854E+02
   15.6750  1.070171E+00  3.751201E+02
   15.7250  1.066773E+00  3.795690E+02
   15.7750  1.051055E+00  3.839803E+02
   15.8250  1.055481E+00  3.884383E+02
   15.8750  1.056473E+00  3.929287E+02
   15.9250  1.068234E+00  3.974977E+02
   15.9750  1.073933E+00  4.021200E+02

g(r)  :O       HW      

        r      g(r)         n(r)

    1.4250  0.000000E+00  0.000000E+00
    1.4750  0.000000E+00  0.000000E+00
    1.5250  2.166913E-02  1.700000E-03
    1.5750  1.310534E-01  1.266667E-02
    1.6250  3.266805E-01  4.176667E-02
    1.6750  3.786139E-01  7.760000E-02
    1.7250  4.532878E-01  1.231000E-01
    1.7750  5.087160E-01  1.771667E-01
    1.8250  5.156403E-01  2.351000E-01
    1.8750  3.679267E-01  2.787333E-01
    1.9250  4.381286E-01  3.335000E-01
    1.9750  3.285735E-01  3.767333E-01
    2.0250  3.602625E-01  4.265667E-01
    2.0750  3.258976E-01  4.739000E-01
    2.1250  2.702583E-01  5.150667E-01
    2.1750  2.506649E-01  5.550667E-01
    2.2250  2.033976E-01  5.890333E-01
    2.2750  2.008563E-01  6.241000E-01
    2.3250  1.488030E-01  6.512333E-01
    2.3750  1.408519E-01  6.780333E-01
    2.4250  1.151070E-01  7.008667E-01
    2.4750  9.921102E-02  7.213667E-01
    2.5250  8.850119E-02  7.404000E-01
    2.5750  9.076097E-02  7.607000E-01
    2.6250  8.762327E-02  7.810667E-01
    2.6750  9.570243E-02  8.041667E-01
    2.7250  9.834430E-02  8.288000E-01
    2.7750  8.110158E-02  8.498667E-01
    2.8250  9.546762E-02  8.755667E-01
    2.8750  1.089135E-01  9.059333E-01
    2.9250  1.330577E-01  9.443333E-01
    2.9750  1.298511E-01  9.831000E-01
    3.0250  1.515120E-01  1.029867E+00
    3.0750  1.837253E-01  1.088467E+00
    3.1250  2.029886E-01  1.155333E+00
    3.1750  2.214470E-01  1.230633E+00
    3.2250  2.416174E-01  1.315400E+00
    3.2750  2.394557E-01  1.402033E+00
    3.3250  2.411573E-01  1.491967E+00
    3.3750  2.077782E-01  1.571800E+00
    3.4250  2.010822E-01  1.651367E+00
    3.4750  2.212787E-01  1.741500E+00
    3.5250  2.245098E-01  1.835600E+00
    3.5750  2.640472E-01  1.949433E+00
    3.6250  2.662137E-01  2.067433E+00
    3.6750  2.410927E-01  2.177267E+00
    3.7250  2.469134E-01  2.292833E+00
    3.7750  2.599018E-01  2.417767E+00
    3.8250  2.451139E-01  2.538733E+00
    3.8750  2.505437E-01  2.665633E+00
    3.9250  2.412504E-01  2.791000E+00
    3.9750  2.676161E-01  2.933633E+00
    4.0250  2.591177E-01  3.075233E+00
    4.0750  2.614270E-01  3.221667E+00
    4.1250  2.832367E-01  3.384233E+00
    4.1750  2.979233E-01  3.559400E+00
    4.2250  2.771846E-01  3.726300E+00
    4.2750  2.922594E-01  3.906467E+00
    4.3250  2.881825E-01  4.088300E+00
    4.3750  2.930431E-01  4.277500E+00
    4.4250  2.900414E-01  4.469067E+00
    4.4750  3.151289E-01  4.681933E+00
    4.5250  3.114369E-01  4.897033E+00
    4.5750  3.168950E-01  5.120767E+00
    4.6250  3.160399E-01  5.348800E+00
    4.6750  3.274019E-01  5.590167E+00
    4.7250  3.207308E-01  5.831700E+00
    4.7750  3.289584E-01  6.084700E+00
    4.8250  3.434846E-01  6.354433E+00
    4.8750  3.399262E-01  6.626933E+00
    4.9250  3.553040E-01  6.917633E+00
    4.9750  3.550255E-01  7.214033E+00
    5.0250  3.695594E-01  7.528800E+00
    5.0750  3.786583E-01  7.857767E+00
    5.1250  3.890642E-01  8.202467E+00
    5.1750  4.109179E-01  8.573667E+00
    5.2250  4.009917E-01  8.942933E+00
    5.2750  3.957700E-01  9.314400E+00
    5.3250  3.988975E-01  9.695933E+00
    5.3750  3.979413E-01  1.008373E+01
    5.4250  4.228741E-01  1.050353E+01
    5.4750  4.331527E-01  1.094150E+01
    5.5250  4.412111E-01  1.139580E+01
    5.5750  4.381018E-01  1.185510E+01
    5.6250  4.473695E-01  1.233257E+01
    5.6750  4.681188E-01  1.284110E+01
    5.7250  4.566311E-01  1.334593E+01
    5.7750  4.530845E-01  1.385563E+01
    5.8250  4.627559E-01  1.438527E+01
    5.8750  4.519066E-01  1.491140E+01
    5.9250  4.519121E-01  1.544653E+01
    5.9750  4.701785E-01  1.601273E+01
    6.0250  4.511641E-01  1.656517E+01
    6.0750  4.543181E-01  1.713073E+01
    6.1250  4.447710E-01  1.769357E+01
    6.1750  4.512294E-01  1.827393E+01
    6.2250  4.563782E-01  1.887047E+01
    6.2750  4.576672E-01  1.947833E+01
    6.3250  4.781506E-01  2.012357E+01
    6.3750  4.863876E-01  2.079033E+01
    6.4250  4.857891E-01  2.146677E+01
    6.4750  5.121863E-01  2.219110E+01
    6.5250  5.034152E-01  2.291407E+01
    6.5750  4.910561E-01  2.363013E+01
    6.6250  5.145177E-01  2.439187E+01
    6.6750  5.215877E-01  2.517577E+01
    6.7250  5.393384E-01  2.599853E+01
    6.7750  5.481138E-01  2.684717E+01
    6.8250  5.567236E-01  2.772190E+01
    6.8750  5.699601E-01  2.863060E+01
    6.9250  5.608733E-01  2.953787E+01
    6.9750  5.755701E-01  3.048240E+01
    7.0250  5.719316E-01  3.143447E+01
    7.0750  5.689106E-01  3.239503E+01
    7.1250  5.625112E-01  3.335827E+01
    7.1750  5.993672E-01  3.439907E+01
    7.2250  5.943184E-01  3.544553E+01
    7.2750  6.191886E-01  3.655093E+01
    7.3250  6.090332E-01  3.765320E+01
    7.3750  6.117044E-01  3.877547E+01
    7.4250  6.082796E-01  3.990663E+01
    7.4750  6.061118E-01  4.104900E+01
    7.5250  6.361982E-01  4.226417E+01
    7.5750  6.389011E-01  4.350077E+01
    7.6250  6.389120E-01  4.475377E+01
    7.6750  6.598386E-01  4.606483E+01
    7.7250  6.722726E-01  4.741807E+01
    7.7750  6.757182E-01  4.879590E+01
    7.8250  6.565070E-01  5.015183E+01
    7.8750  6.652313E-01  5.154340E+01
    7.9250  6.697187E-01  5.296220E+01
    7.9750  6.685568E-01  5.439647E+01
    8.0250  6.651315E-01  5.584133E+01
    8.0750  6.685290E-01  5.731173E+01
    8.1250  6.842623E-01  5.883543E+01
    8.1750  6.823943E-01  6.037373E+01
    8.2250  6.704419E-01  6.190363E+01
    8.2750  6.849786E-01  6.348577E+01
    8.3250  7.041520E-01  6.513190E+01
    8.3750  6.912891E-01  6.676743E+01
    8.4250  6.886632E-01  6.841627E+01
    8.4750  6.913205E-01  7.009117E+01
    8.5250  7.084312E-01  7.182783E+01
    8.5750  7.064296E-01  7.357997E+01
    8.6250  7.126761E-01  7.536827E+01
    8.6750  7.052592E-01  7.715853E+01
    8.7250  7.127508E-01  7.898873E+01
    8.7750  7.018922E-01  8.081177E+01
    8.8250  7.039854E-01  8.266113E+01
    8.8750  7.137406E-01  8.455743E+01
    8.9250  7.125024E-01  8.647183E+01
    8.9750  7.202400E-01  8.842877E+01
    9.0250  7.440327E-01  9.047293E+01
    9.0750  7.372125E-01  9.252087E+01
    9.1250  7.161125E-01  9.453217E+01
    9.1750  7.438397E-01  9.664430E+01
    9.2250  7.356241E-01  9.875593E+01
    9.2750  7.280588E-01  1.008686E+02
    9.3250  7.309548E-01  1.030125E+02
    9.3750  7.203791E-01  1.051482E+02
    9.4250  7.421029E-01  1.073718E+02
    9.4750  7.508468E-01  1.096455E+02
    9.5250  7.437034E-01  1.119215E+02
    9.5750  7.443964E-01  1.142235E+02
    9.6250  7.409067E-01  1.165387E+02
    9.6750  7.434562E-01  1.188861E+02
    9.7250  7.455277E-01  1.212645E+02
    9.7750  7.614076E-01  1.237185E+02
    9.8250  7.445972E-01  1.261430E+02
    9.8750  7.438657E-01  1.285898E+02
    9.9250  7.505449E-01  1.310836E+02
    9.9750  7.607577E-01  1.336369E+02
   10.0250  7.697564E-01  1.362464E+02
   10.0750  7.801069E-01  1.389174E+02
   10.1250  7.780603E-01  1.416079E+02
   10.1750  7.743458E-01  1.443120E+02
   10.2250  7.850336E-01  1.470805E+02
   10.2750  7.929874E-01  1.499045E+02
   10.3250  7.931772E-01  1.527567E+02
   10.3750  7.978985E-01  1.556537E+02
   10.4250  8.164686E-01  1.586468E+02
   10.4750  8.149161E-01  1.616630E+02
   10.5250  8.375137E-01  1.647924E+02
   10.5750  8.494775E-01  1.679968E+02
   10.6250  8.461494E-01  1.712188E+02
   10.6750  8.418664E-01  1.744548E+02
   10.7250  8.388204E-01  1.777094E+02
   10.7750  8.308494E-01  1.809632E+02
   10.8250  8.330503E-01  1.842559E+02
   10.8750  8.367131E-01  1.875937E+02
   10.9250  8.286994E-01  1.909301E+02
   10.9750  8.212150E-01  1.942666E+02
   11.0250  8.270189E-01  1.976574E+02
   11.0750  8.354805E-01  2.011140E+02
   11.1250  8.408505E-01  2.046244E+02
   11.1750  8.522952E-01  2.082145E+02
   11.2250  8.468526E-01  2.118138E+02
   11.2750  8.527676E-01  2.154705E+02
   11.3250  8.584222E-01  2.191842E+02
   11.3750  8.650061E-01  2.229595E+02
   11.4250  8.634854E-01  2.267614E+02
   11.4750  8.582884E-01  2.305735E+02
   11.5250  8.568614E-01  2.344125E+02
   11.5750  8.691016E-01  2.383403E+02
   11.6250  8.692684E-01  2.423028E+02
   11.6750  8.636513E-01  2.462736E+02
   11.7250  8.745162E-01  2.503289E+02
   11.7750  8.657152E-01  2.543777E+02
   11.8250  8.763179E-01  2.585110E+02
   11.8750  8.743430E-01  2.626699E+02
   11.9250  8.808274E-01  2.668950E+02
   11.9750  8.837069E-01  2.711695E+02
   12.0250  8.827358E-01  2.754751E+02
   12.0750  8.823672E-01  2.798147E+02
   12.1250  8.938118E-01  2.842471E+02
   12.1750  8.994722E-01  2.887444E+02
   12.2250  9.066899E-01  2.933152E+02
   12.2750  9.057458E-01  2.979186E+02
   12.3250  9.047417E-01  3.025544E+02
   12.3750  9.129712E-01  3.072704E+02
   12.4250  9.305513E-01  3.121162E+02
   12.4750  9.177286E-01  3.169337E+02
   12.5250  9.202241E-01  3.218032E+02
   12.5750  9.186389E-01  3.267031E+02
   12.6250  9.329527E-01  3.317190E+02
   12.6750  9.214485E-01  3.367124E+02
   12.7250  9.329573E-01  3.418082E+02
   12.7750  9.266253E-01  3.469092E+02
   12.8250  9.467810E-01  3.521620E+02
   12.8750  9.481693E-01  3.574636E+02
   12.9250  9.538379E-01  3.628385E+02
   12.9750  9.329940E-01  3.681366E+02
   13.0250  9.436865E-01  3.735368E+02
   13.0750  9.490034E-01  3.790093E+02
   13.1250  9.550209E-01  3.845586E+02
   13.1750  9.607833E-01  3.901840E+02
   13.2250  9.712001E-01  3.959137E+02
   13.2750  9.652941E-01  4.016517E+02
   13.3250  9.648870E-01  4.074305E+02
   13.3750  9.658289E-01  4.132585E+02
   13.4250  9.606713E-01  4.190987E+02
   13.4750  9.789441E-01  4.250945E+02
   13.5250  9.782292E-01  4.311304E+02
   13.5750  9.728864E-01  4.371779E+02
   13.6250  9.732276E-01  4.432721E+02
   13.6750  9.696168E-01  4.493883E+02
   13.7250  9.796826E-01  4.556133E+02
   13.7750  9.833743E-01  4.619074E+02
   13.8250  9.794281E-01  4.682218E+02
   13.8750  9.869806E-01  4.746310E+02
   13.9250  9.791818E-01  4.810354E+02
   13.9750  9.861784E-01  4.875321E+02
   14.0250  1.000225E+00  4.941685E+02
   14.0750  1.006031E+00  5.008911E+02
   14.1250  9.926801E-01  5.075717E+02
   14.1750  9.963668E-01  5.143246E+02
   14.2250  1.008367E+00  5.212072E+02
   14.2750  1.000103E+00  5.280815E+02
   14.3250  9.982773E-01  5.349914E+02
   14.3750  1.009957E+00  5.420310E+02
   14.4250  1.014556E+00  5.491519E+02
   14.4750  1.015186E+00  5.563267E+02
   14.5250  1.015853E+00  5.635560E+02
   14.5750  1.024321E+00  5.708957E+02
   14.6250  1.026162E+00  5.782992E+02
   14.6750  1.029594E+00  5.857784E+02
   14.7250  1.039723E+00  5.933826E+02
   14.7750  1.038506E+00  6.010297E+02
   14.8250  1.034219E+00  6.086968E+02
   14.8750  1.037242E+00  6.164382E+02
   14.9250  1.037837E+00  6.242363E+02
   14.9750  1.039251E+00  6.320974E+02
   15.0250  1.039140E+00  6.400102E+02
   15.0750  1.042246E+00  6.479996E+02
   15.1250  1.039890E+00  6.560239E+02
   15.1750  1.034966E+00  6.640631E+02
   15.2250  1.044150E+00  6.722272E+02
   15.2750  1.053178E+00  6.805160E+02
   15.3250  1.054080E+00  6.888664E+02
   15.3750  1.054556E+00  6.972751E+02
   15.4250  1.058612E+00  7.057711E+02
   15.4750  1.056222E+00  7.143030E+02
   15.5250  1.055112E+00  7.228811E+02
   15.5750  1.061051E+00  7.315631E+02
   15.6250  1.066252E+00  7.403438E+02
   15.6750  1.058081E+00  7.491131E+02
   15.7250  1.059800E+00  7.579527E+02
   15.7750  1.049324E+00  7.667607E+02
   15.8250  1.056049E+00  7.756815E+02
   15.8750  1.048344E+00  7.845932E+02
   15.9250  1.051673E+00  7.935896E+02
   15.9750  1.057395E+00  8.026918E+02

g(r)  :K       K       

        r      g(r)         n(r)


g(r)  :K       OW      

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  7.868932E-02  8.800000E-03
    2.6250  5.111118E-01  6.820000E-02
    2.6750  1.126886E+00  2.042000E-01
    2.7250  2.481630E+00  5.150000E-01
    2.7750  3.544858E+00  9.754000E-01
    2.8250  3.430891E+00  1.437200E+00
    2.8750  2.974020E+00  1.851800E+00
    2.9250  2.614030E+00  2.229000E+00
    2.9750  1.917285E+00  2.515200E+00
    3.0250  1.670412E+00  2.773000E+00
    3.0750  1.290467E+00  2.978800E+00
    3.1250  9.920738E-01  3.142200E+00
    3.1750  8.704954E-01  3.290200E+00
    3.2250  5.860386E-01  3.393000E+00
    3.2750  5.782317E-01  3.497600E+00
    3.3250  4.172433E-01  3.575400E+00
    3.3750  3.841511E-01  3.649200E+00
    3.4250  3.629082E-01  3.721000E+00
    3.4750  3.535221E-01  3.793000E+00
    3.5250  2.128191E-01  3.837600E+00
    3.5750  1.632994E-01  3.872800E+00
    3.6250  1.750693E-01  3.911600E+00
    3.6750  1.229243E-01  3.939600E+00
    3.7250  1.760514E-01  3.980800E+00
    3.7750  1.880613E-01  4.026000E+00
    3.8250  1.945241E-01  4.074000E+00
    3.8750  1.587369E-01  4.114200E+00
    3.9250  1.855082E-01  4.162400E+00
    3.9750  1.958807E-01  4.214600E+00
    4.0250  2.766850E-01  4.290200E+00
    4.0750  2.163780E-01  4.350800E+00
    4.1250  1.365948E-01  4.390000E+00
    4.1750  1.340230E-01  4.429400E+00
    4.2250  1.634210E-01  4.478600E+00
    4.2750  1.602695E-01  4.528000E+00
    4.3250  2.586511E-01  4.609600E+00
    4.3750  2.397625E-01  4.687000E+00
    4.4250  2.222625E-01  4.760400E+00
    4.4750  2.155470E-01  4.833200E+00
    4.5250  1.760610E-01  4.894000E+00
    4.5750  2.045276E-01  4.966200E+00
    4.6250  2.910468E-01  5.071200E+00
    4.6750  2.240856E-01  5.153800E+00
    4.7250  2.905433E-01  5.263200E+00
    4.7750  3.640647E-01  5.403200E+00
    4.8250  3.361837E-01  5.535200E+00
    4.8750  3.328159E-01  5.668600E+00
    4.9250  2.786698E-01  5.782600E+00
    4.9750  3.401729E-01  5.924600E+00
    5.0250  3.841570E-01  6.088200E+00
    5.0750  3.117054E-01  6.223600E+00
    5.1250  3.968523E-01  6.399400E+00
    5.1750  3.347564E-01  6.550600E+00
    5.2250  3.965757E-01  6.733200E+00
    5.2750  3.260202E-01  6.886200E+00
    5.3250  3.425096E-01  7.050000E+00
    5.3750  3.644887E-01  7.227600E+00
    5.4250  3.356400E-01  7.394200E+00
    5.4750  4.375373E-01  7.615400E+00
    5.5250  3.803176E-01  7.811200E+00
    5.5750  3.460556E-01  7.992600E+00
    5.6250  4.242577E-01  8.219000E+00
    5.6750  3.914082E-01  8.431600E+00
    5.7250  3.122398E-01  8.604200E+00
    5.7750  2.844556E-01  8.764200E+00
    5.8250  2.705065E-01  8.919000E+00
    5.8750  2.721059E-01  9.077400E+00
    5.9250  2.952320E-01  9.252200E+00
    5.9750  2.464659E-01  9.400600E+00
    6.0250  2.606859E-01  9.560200E+00
    6.0750  2.750489E-01  9.731400E+00
    6.1250  2.348580E-01  9.880000E+00
    6.1750  1.971715E-01  1.000680E+01
    6.2250  2.377777E-01  1.016220E+01
    6.2750  2.704443E-01  1.034180E+01
    6.3250  2.747816E-01  1.052720E+01
    6.3750  2.879955E-01  1.072460E+01
    6.4250  3.392600E-01  1.096080E+01
    6.4750  3.365863E-01  1.119880E+01
    6.5250  4.141704E-01  1.149620E+01
    6.5750  3.459017E-01  1.174840E+01
    6.6250  3.366475E-01  1.199760E+01
    6.6750  3.396075E-01  1.225280E+01
    6.7250  3.652547E-01  1.253140E+01
    6.7750  3.309480E-01  1.278760E+01
    6.8250  3.475014E-01  1.306060E+01
    6.8750  3.818551E-01  1.336500E+01
    6.9250  3.204755E-01  1.362420E+01
    6.9750  3.336909E-01  1.389800E+01
    7.0250  3.580329E-01  1.419600E+01
    7.0750  3.051353E-01  1.445360E+01
    7.1250  3.113794E-01  1.472020E+01
    7.1750  3.833001E-01  1.505300E+01
    7.2250  3.755144E-01  1.538360E+01
    7.2750  3.649931E-01  1.570940E+01
    7.3250  3.735089E-01  1.604740E+01
    7.3750  3.621389E-01  1.637960E+01
    7.4250  3.540515E-01  1.670880E+01
    7.4750  4.369820E-01  1.712060E+01
    7.5250  3.999908E-01  1.750260E+01
    7.5750  4.406072E-01  1.792900E+01
    7.6250  4.997077E-01  1.841900E+01
    7.6750  4.722815E-01  1.888820E+01
    7.7250  4.363802E-01  1.932740E+01
    7.7750  4.774737E-01  1.981420E+01
    7.8250  5.083822E-01  2.033920E+01
    7.8750  6.099852E-01  2.097720E+01
    7.9250  5.875852E-01  2.159960E+01
    7.9750  5.809863E-01  2.222280E+01
    8.0250  5.840808E-01  2.285720E+01
    8.0750  6.272461E-01  2.354700E+01
    8.1250  6.887081E-01  2.431380E+01
    8.1750  6.288514E-01  2.502260E+01
    8.2250  7.013368E-01  2.582280E+01
    8.2750  6.447434E-01  2.656740E+01
    8.3250  6.784293E-01  2.736040E+01
    8.3750  7.597896E-01  2.825920E+01
    8.4250  7.040194E-01  2.910200E+01
    8.4750  7.734997E-01  3.003900E+01
    8.5250  8.370638E-01  3.106500E+01
    8.5750  8.060426E-01  3.206460E+01
    8.6250  7.517710E-01  3.300780E+01
    8.6750  8.135667E-01  3.404040E+01
    8.7250  8.075402E-01  3.507720E+01
    8.7750  7.898934E-01  3.610300E+01
    8.8250  7.593465E-01  3.710040E+01
    8.8750  7.940237E-01  3.815520E+01
    8.9250  8.432122E-01  3.928800E+01
    8.9750  8.591648E-01  4.045520E+01
    9.0250  9.103829E-01  4.170580E+01
    9.0750  9.693508E-01  4.305220E+01
    9.1250  9.413819E-01  4.437420E+01
    9.1750  9.083287E-01  4.566380E+01
    9.2250  1.043848E+00  4.716200E+01
    9.2750  1.000505E+00  4.861360E+01
    9.3250  9.488923E-01  5.000520E+01
    9.3750  9.339405E-01  5.138960E+01
    9.4250  8.897493E-01  5.272260E+01
    9.4750  8.902904E-01  5.407060E+01
    9.5250  9.963827E-01  5.559520E+01
    9.5750  9.457772E-01  5.705760E+01
    9.6250  8.617333E-01  5.840400E+01
    9.6750  8.614642E-01  5.976400E+01
    9.7250  9.114350E-01  6.121780E+01
    9.7750  9.595963E-01  6.276420E+01
    9.8250  9.088234E-01  6.424380E+01
    9.8750  8.826185E-01  6.569540E+01
    9.9250  9.022791E-01  6.719440E+01
    9.9750  9.001689E-01  6.870500E+01
   10.0250  9.320381E-01  7.028480E+01
   10.0750  8.968747E-01  7.182020E+01
   10.1250  7.885579E-01  7.318360E+01
   10.1750  9.080822E-01  7.476920E+01
   10.2250  8.845912E-01  7.632900E+01
   10.2750  8.403968E-01  7.782540E+01
   10.3250  7.871148E-01  7.924060E+01
   10.3750  7.893514E-01  8.067360E+01
   10.4250  7.490638E-01  8.204660E+01
   10.4750  7.133983E-01  8.336680E+01
   10.5250  7.644432E-01  8.479500E+01
   10.5750  7.923308E-01  8.628940E+01
   10.6250  7.962359E-01  8.780540E+01
   10.6750  7.861929E-01  8.931640E+01
   10.7250  8.070244E-01  9.088200E+01
   10.7750  7.883166E-01  9.242560E+01
   10.8250  7.696156E-01  9.394660E+01
   10.8750  8.282319E-01  9.559860E+01
   10.9250  7.638374E-01  9.713620E+01
   10.9750  7.775683E-01  9.871580E+01
   11.0250  8.094581E-01  1.003752E+02
   11.0750  8.552438E-01  1.021444E+02
   11.1250  8.774676E-01  1.039760E+02
   11.1750  9.008746E-01  1.058734E+02
   11.2250  8.825142E-01  1.077488E+02
   11.2750  8.789021E-01  1.096332E+02
   11.3250  8.255757E-01  1.114190E+02
   11.3750  8.494029E-01  1.132726E+02
   11.4250  8.726914E-01  1.151938E+02
   11.4750  8.147601E-01  1.170032E+02
   11.5250  8.710939E-01  1.189546E+02
   11.5750  8.362352E-01  1.208442E+02
   11.6250  8.731952E-01  1.228344E+02
   11.6750  9.253267E-01  1.249616E+02
   11.7250  9.083944E-01  1.270678E+02
   11.7750  1.009573E+00  1.294286E+02
   11.8250  9.669618E-01  1.317090E+02
   11.8750  9.432788E-01  1.339524E+02
   11.9250  9.395548E-01  1.362058E+02
   11.9750  9.128707E-01  1.384136E+02
   12.0250  9.584368E-01  1.407510E+02
   12.0750  9.188781E-01  1.430106E+02
   12.1250  8.992967E-01  1.452404E+02
   12.1750  9.342458E-01  1.475760E+02
   12.2250  9.124161E-01  1.498758E+02
   12.2750  9.123175E-01  1.521942E+02
   12.3250  9.532526E-01  1.546364E+02
   12.3750  9.085509E-01  1.569830E+02
   12.4250  9.637028E-01  1.594922E+02
   12.4750  9.390770E-01  1.619570E+02
   12.5250  9.160225E-01  1.643806E+02
   12.5750  9.586971E-01  1.669374E+02
   12.6250  9.799854E-01  1.695718E+02
   12.6750  1.002828E+00  1.722890E+02
   12.7250  9.716739E-01  1.749426E+02
   12.7750  9.164163E-01  1.774650E+02
   12.8250  8.903232E-01  1.799348E+02
   12.8750  8.970853E-01  1.824428E+02
   12.9250  9.718623E-01  1.851810E+02
   12.9750  8.835924E-01  1.876898E+02
   13.0250  9.178528E-01  1.903160E+02
   13.0750  9.578765E-01  1.930778E+02
   13.1250  9.368934E-01  1.957998E+02
   13.1750  8.947491E-01  1.984192E+02
   13.2250  8.593163E-01  2.009540E+02
   13.2750  8.964603E-01  2.036184E+02
   13.3250  8.783246E-01  2.062486E+02
   13.3750  9.208903E-01  2.090270E+02
   13.4250  9.231893E-01  2.118332E+02
   13.4750  9.140651E-01  2.146324E+02
   13.5250  9.280639E-01  2.174956E+02
   13.5750  9.844320E-01  2.205552E+02
   13.6250  1.026024E+00  2.237676E+02
   13.6750  1.062923E+00  2.271200E+02
   13.7250  1.073260E+00  2.305298E+02
   13.7750  1.046484E+00  2.338788E+02
   13.8250  9.846398E-01  2.370528E+02
   13.8750  9.600623E-01  2.401700E+02
   13.9250  1.016049E+00  2.434928E+02
   13.9750  1.022817E+00  2.468618E+02
   14.0250  1.008605E+00  2.502078E+02
   14.0750  1.040300E+00  2.536836E+02
   14.1250  1.009768E+00  2.570814E+02
   14.1750  1.010743E+00  2.605066E+02
   14.2250  1.075498E+00  2.641770E+02
   14.2750  1.063613E+00  2.678324E+02
   14.3250  1.042042E+00  2.714388E+02
   14.3750  1.042496E+00  2.750720E+02
   14.4250  1.064631E+00  2.788082E+02
   14.4750  1.057912E+00  2.825466E+02
   14.5250  1.054856E+00  2.863000E+02
   14.5750  1.066221E+00  2.901200E+02
   14.6250  1.088438E+00  2.940464E+02
   14.6750  1.109942E+00  2.980778E+02
   14.7250  1.147538E+00  3.022742E+02
   14.7750  1.126801E+00  3.064228E+02
   14.8250  1.064610E+00  3.103690E+02
   14.8750  1.046210E+00  3.142732E+02
   14.9250  1.123431E+00  3.184938E+02
   14.9750  1.181884E+00  3.229638E+02
   15.0250  1.167832E+00  3.274102E+02
   15.0750  1.111152E+00  3.316690E+02
   15.1250  1.156121E+00  3.361296E+02
   15.1750  1.149905E+00  3.405956E+02
   15.2250  1.127632E+00  3.450040E+02
   15.2750  1.064101E+00  3.491914E+02
   15.3250  1.075498E+00  3.534514E+02
   15.3750  1.107743E+00  3.578678E+02
   15.4250  1.041612E+00  3.620476E+02
   15.4750  1.100257E+00  3.664914E+02
   15.5250  1.062874E+00  3.708120E+02
   15.5750  1.144200E+00  3.754932E+02
   15.6250  1.085305E+00  3.799620E+02
   15.6750  1.032108E+00  3.842390E+02
   15.7250  1.040373E+00  3.885778E+02
   15.7750  1.000384E+00  3.927764E+02
   15.8250  1.031907E+00  3.971348E+02
   15.8750  9.704570E-01  4.012596E+02
   15.9250  9.684875E-01  4.054020E+02
   15.9750  1.021727E+00  4.097996E+02

g(r)  :K       HW      

        r      g(r)         n(r)

    2.4750  0.000000E+00  0.000000E+00
    2.5250  0.000000E+00  0.000000E+00
    2.5750  8.047771E-03  1.800000E-03
    2.6250  1.118595E-02  4.400000E-03
    2.6750  2.154341E-02  9.600000E-03
    2.7250  2.954321E-02  1.700000E-02
    2.7750  8.315479E-02  3.860000E-02
    2.8250  1.352148E-01  7.500000E-02
    2.8750  1.915252E-01  1.284000E-01
    2.9250  2.515623E-01  2.010000E-01
    2.9750  3.550528E-01  3.070000E-01
    3.0250  5.131753E-01  4.654000E-01
    3.0750  6.000858E-01  6.568000E-01
    3.1250  7.777518E-01  9.130000E-01
    3.1750  8.975514E-01  1.218200E+00
    3.2250  8.990105E-01  1.533600E+00
    3.2750  9.701688E-01  1.884600E+00
    3.3250  1.136961E+00  2.308600E+00
    3.3750  1.186808E+00  2.764600E+00
    3.4250  1.139269E+00  3.215400E+00
    3.4750  1.208358E+00  3.707600E+00
    3.5250  1.183389E+00  4.203600E+00
    3.5750  1.162117E+00  4.704600E+00
    3.6250  1.193901E+00  5.233800E+00
    3.6750  1.236707E+00  5.797200E+00
    3.7250  9.798198E-01  6.255800E+00
    3.7750  8.429473E-01  6.661000E+00
    3.8250  6.500347E-01  6.981800E+00
    3.8750  4.785798E-01  7.224200E+00
    3.9250  4.014212E-01  7.432800E+00
    3.9750  3.760010E-01  7.633200E+00
    4.0250  3.019380E-01  7.798200E+00
    4.0750  2.731505E-01  7.951200E+00
    4.1250  2.195273E-01  8.077200E+00
    4.1750  2.462757E-01  8.222000E+00
    4.2250  2.006225E-01  8.342800E+00
    4.2750  2.134764E-01  8.474400E+00
    4.3250  1.819433E-01  8.589200E+00
    4.3750  1.942262E-01  8.714600E+00
    4.4250  1.756297E-01  8.830600E+00
    4.4750  1.661015E-01  8.942800E+00
    4.5250  1.734549E-01  9.062600E+00
    4.5750  1.728003E-01  9.184600E+00
    4.6250  1.815578E-01  9.315600E+00
    4.6750  1.836634E-01  9.451000E+00
    4.7250  1.771411E-01  9.584400E+00
    4.7750  2.064767E-01  9.743200E+00
    4.8250  2.205569E-01  9.916400E+00
    4.8750  1.916061E-01  1.007000E+01
    4.9250  1.948244E-01  1.022940E+01
    4.9750  2.148839E-01  1.040880E+01
    5.0250  2.435030E-01  1.061620E+01
    5.0750  1.968302E-01  1.078720E+01
    5.1250  2.304813E-01  1.099140E+01
    5.1750  2.318055E-01  1.120080E+01
    5.2250  2.408557E-01  1.142260E+01
    5.2750  2.527189E-01  1.165980E+01
    5.3250  2.883521E-01  1.193560E+01
    5.3750  2.862961E-01  1.221460E+01
    5.4250  3.360429E-01  1.254820E+01
    5.4750  3.216255E-01  1.287340E+01
    5.5250  3.393334E-01  1.322280E+01
    5.5750  3.517787E-01  1.359160E+01
    5.6250  3.388065E-01  1.395320E+01
    5.6750  3.437249E-01  1.432660E+01
    5.7250  3.789933E-01  1.474560E+01
    5.7750  4.035714E-01  1.519960E+01
    5.8250  4.052355E-01  1.566340E+01
    5.8750  3.669307E-01  1.609060E+01
    5.9250  3.627908E-01  1.652020E+01
    5.9750  3.771725E-01  1.697440E+01
    6.0250  3.431711E-01  1.739460E+01
    6.0750  3.287092E-01  1.780380E+01
    6.1250  3.262093E-01  1.821660E+01
    6.1750  3.305888E-01  1.864180E+01
    6.2250  3.412126E-01  1.908780E+01
    6.2750  3.488972E-01  1.955120E+01
    6.3250  3.244320E-01  1.998900E+01
    6.3750  3.001048E-01  2.040040E+01
    6.4250  2.872650E-01  2.080040E+01
    6.4750  3.206056E-01  2.125380E+01
    6.5250  2.966318E-01  2.167980E+01
    6.5750  3.140820E-01  2.213780E+01
    6.6250  3.031449E-01  2.258660E+01
    6.6750  3.228401E-01  2.307180E+01
    6.7250  3.353630E-01  2.358340E+01
    6.7750  3.182888E-01  2.407620E+01
    6.8250  3.384639E-01  2.460800E+01
    6.8750  3.693105E-01  2.519680E+01
    6.9250  3.693133E-01  2.579420E+01
    6.9750  3.574563E-01  2.638080E+01
    7.0250  3.652417E-01  2.698880E+01
    7.0750  3.719428E-01  2.761680E+01
    7.1250  3.677921E-01  2.824660E+01
    7.1750  3.480568E-01  2.885100E+01
    7.2250  3.633608E-01  2.949080E+01
    7.2750  3.850464E-01  3.017820E+01
    7.3250  4.088707E-01  3.091820E+01
    7.3750  3.935344E-01  3.164020E+01
    7.4250  4.124507E-01  3.240720E+01
    7.4750  4.189424E-01  3.319680E+01
    7.5250  4.520315E-01  3.406020E+01
    7.5750  4.498037E-01  3.493080E+01
    7.6250  4.629945E-01  3.583880E+01
    7.6750  4.984522E-01  3.682920E+01
    7.7250  5.251069E-01  3.788620E+01
    7.7750  5.473097E-01  3.900220E+01
    7.8250  5.654179E-01  4.017000E+01
    7.8750  5.692558E-01  4.136080E+01
    7.9250  5.664381E-01  4.256080E+01
    7.9750  6.079287E-01  4.386500E+01
    8.0250  6.368359E-01  4.524840E+01
    8.0750  6.658011E-01  4.671280E+01
    8.1250  6.949054E-01  4.826020E+01
    8.1750  6.908671E-01  4.981760E+01
    8.2250  6.797761E-01  5.136880E+01
    8.2750  6.901162E-01  5.296280E+01
    8.3250  7.007585E-01  5.460100E+01
    8.3750  7.146486E-01  5.629180E+01
    8.4250  7.487933E-01  5.808460E+01
    8.4750  7.518714E-01  5.990620E+01
    8.5250  7.838703E-01  6.182780E+01
    8.5750  8.091874E-01  6.383480E+01
    8.6250  8.359388E-01  6.593240E+01
    8.6750  8.506759E-01  6.809180E+01
    8.7250  8.369818E-01  7.024100E+01
    8.7750  8.701302E-01  7.250100E+01
    8.8250  8.249728E-01  7.466820E+01
    8.8750  7.996695E-01  7.679280E+01
    8.9250  8.242310E-01  7.900740E+01
    8.9750  8.467248E-01  8.130800E+01
    9.0250  8.475603E-01  8.363660E+01
    9.0750  8.756843E-01  8.606920E+01
    9.1250  8.740895E-01  8.852420E+01
    9.1750  8.837469E-01  9.103360E+01
    9.2250  8.808816E-01  9.356220E+01
    9.2750  8.526625E-01  9.603640E+01
    9.3250  8.952972E-01  9.866240E+01
    9.3750  8.520420E-01  1.011884E+02
    9.4250  8.205985E-01  1.036472E+02
    9.4750  8.089886E-01  1.060970E+02
    9.5250  8.847585E-01  1.088046E+02
    9.5750  8.654534E-01  1.114810E+02
    9.6250  8.621173E-01  1.141750E+02
    9.6750  8.898418E-01  1.169846E+02
    9.7250  8.792734E-01  1.197896E+02
    9.7750  8.513749E-01  1.225336E+02
    9.8250  8.708636E-01  1.253692E+02
    9.8750  8.926511E-01  1.283054E+02
    9.9250  9.338198E-01  1.314082E+02
    9.9750  9.261502E-01  1.345166E+02
   10.0250  9.015365E-01  1.375728E+02
   10.0750  9.049357E-01  1.406712E+02
   10.1250  8.483041E-01  1.436046E+02
   10.1750  8.730898E-01  1.466536E+02
   10.2250  8.620199E-01  1.496936E+02
   10.2750  8.232676E-01  1.526254E+02
   10.3250  8.247130E-01  1.555910E+02
   10.3750  8.019105E-01  1.585026E+02
   10.4250  8.324810E-01  1.615544E+02
   10.4750  8.358464E-01  1.646480E+02
   10.5250  8.162018E-01  1.676978E+02
   10.5750  8.500695E-01  1.709044E+02
   10.6250  8.469723E-01  1.741296E+02
   10.6750  8.287025E-01  1.773150E+02
   10.7250  8.419219E-01  1.805816E+02
   10.7750  8.529201E-01  1.839218E+02
   10.8250  8.665133E-01  1.873468E+02
   10.8750  8.674376E-01  1.908072E+02
   10.9250  8.820196E-01  1.943582E+02
   10.9750  8.427430E-01  1.977822E+02
   11.0250  8.247263E-01  2.011636E+02
   11.0750  8.343123E-01  2.046154E+02
   11.1250  8.491545E-01  2.081604E+02
   11.1750  8.304626E-01  2.116586E+02
   11.2250  8.331040E-01  2.151994E+02
   11.2750  8.511974E-01  2.188494E+02
   11.3250  8.639929E-01  2.225872E+02
   11.3750  8.190212E-01  2.261618E+02
   11.4250  8.319004E-01  2.298246E+02
   11.4750  8.277285E-01  2.335010E+02
   11.5250  8.744865E-01  2.374190E+02
   11.5750  8.683198E-01  2.413432E+02
   11.6250  8.946938E-01  2.454216E+02
   11.6750  8.952249E-01  2.495376E+02
   11.7250  8.968357E-01  2.536964E+02
   11.7750  8.911598E-01  2.578642E+02
   11.8250  8.948764E-01  2.620850E+02
   11.8750  9.054787E-01  2.663920E+02
   11.9250  9.180402E-01  2.707956E+02
   11.9750  9.366042E-01  2.753260E+02
   12.0250  9.727063E-01  2.800704E+02
   12.0750  9.757285E-01  2.848692E+02
   12.1250  9.353122E-01  2.895074E+02
   12.1750  9.176057E-01  2.940954E+02
   12.2250  9.061873E-01  2.986636E+02
   12.2750  8.689525E-01  3.030800E+02
   12.3250  8.864679E-01  3.076222E+02
   12.3750  9.048340E-01  3.122962E+02
   12.4250  9.084739E-01  3.170270E+02
   12.4750  9.060828E-01  3.217834E+02
   12.5250  9.238084E-01  3.266718E+02
   12.5750  9.469984E-01  3.317230E+02
   12.6250  9.611252E-01  3.368904E+02
   12.6750  9.410829E-01  3.419902E+02
   12.7250  9.276234E-01  3.470568E+02
   12.7750  9.384330E-01  3.522228E+02
   12.8250  9.279578E-01  3.573712E+02
   12.8750  9.555675E-01  3.627142E+02
   12.9250  9.466625E-01  3.680486E+02
   12.9750  9.472697E-01  3.734278E+02
   13.0250  9.452185E-01  3.788368E+02
   13.0750  9.451131E-01  3.842868E+02
   13.1250  9.511086E-01  3.898134E+02
   13.1750  9.678484E-01  3.954802E+02
   13.2250  9.563063E-01  4.011220E+02
   13.2750  9.873714E-01  4.069912E+02
   13.3250  9.829475E-01  4.128782E+02
   13.3750  9.577803E-01  4.186576E+02
   13.4250  9.340457E-01  4.243360E+02
   13.4750  9.959626E-01  4.304360E+02
   13.5250  9.768138E-01  4.364632E+02
   13.5750  9.656738E-01  4.424658E+02
   13.6250  9.570024E-01  4.484584E+02
   13.6750  9.524266E-01  4.544662E+02
   13.7250  9.806269E-01  4.606972E+02
   13.7750  9.669277E-01  4.668860E+02
   13.8250  9.416743E-01  4.729570E+02
   13.8750  9.689324E-01  4.792490E+02
   13.9250  9.965094E-01  4.857668E+02
   13.9750  1.025125E+00  4.925200E+02
   14.0250  1.012493E+00  4.992378E+02
   14.0750  1.024677E+00  5.060850E+02
   14.1250  1.024687E+00  5.129810E+02
   14.1750  1.022576E+00  5.199116E+02
   14.2250  1.048452E+00  5.270678E+02
   14.2750  1.051857E+00  5.342978E+02
   14.3250  1.067874E+00  5.416894E+02
   14.3750  1.084245E+00  5.492468E+02
   14.4250  1.065344E+00  5.567242E+02
   14.4750  1.087427E+00  5.644096E+02
   14.5250  1.100891E+00  5.722440E+02
   14.5750  1.109707E+00  5.801956E+02
   14.6250  1.120483E+00  5.882796E+02
   14.6750  1.129793E+00  5.964866E+02
   14.7250  1.115352E+00  6.046440E+02
   14.7750  1.092606E+00  6.126894E+02
   14.8250  1.082712E+00  6.207160E+02
   14.8750  1.088281E+00  6.288384E+02
   14.9250  1.104639E+00  6.371384E+02
   14.9750  1.086355E+00  6.453558E+02
   15.0250  1.092715E+00  6.536766E+02
   15.0750  1.122945E+00  6.622846E+02
   15.1250  1.109416E+00  6.708454E+02
   15.1750  1.085793E+00  6.792794E+02
   15.2250  1.067853E+00  6.876288E+02
   15.2750  1.061788E+00  6.959854E+02
   15.3250  1.059138E+00  7.043758E+02
   15.3750  1.057904E+00  7.128112E+02
   15.4250  1.045749E+00  7.212040E+02
   15.4750  1.042394E+00  7.296242E+02
   15.5250  1.040906E+00  7.380868E+02
   15.5750  1.029003E+00  7.465066E+02
   15.6250  1.027018E+00  7.549642E+02
   15.6750  1.041760E+00  7.635982E+02
   15.7250  1.003590E+00  7.719690E+02
   15.7750  9.992639E-01  7.803568E+02
   15.8250  1.013747E+00  7.889202E+02
   15.8750  1.027840E+00  7.976576E+02
   15.9250  1.021396E+00  8.063950E+02
   15.9750  1.039292E+00  8.153414E+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  1.121179E-03  1.112020E-04
    2.4750  1.865863E-02  2.038921E-03
    2.5250  1.406787E-01  1.716631E-02
    2.5750  5.353307E-01  7.703352E-02
    2.6250  1.270688E+00  2.247094E-01
    2.6750  2.133923E+00  4.822453E-01
    2.7250  2.778022E+00  8.301655E-01
    2.7750  3.054234E+00  1.226844E+00
    2.8250  2.942054E+00  1.622846E+00
    2.8750  2.638727E+00  1.990704E+00
    2.9250  2.277079E+00  2.319283E+00
    2.9750  1.927523E+00  2.607011E+00
    3.0250  1.630798E+00  2.858697E+00
    3.0750  1.393759E+00  3.080970E+00
    3.1250  1.234492E+00  3.284298E+00
    3.1750  1.103033E+00  3.471833E+00
    3.2250  1.009452E+00  3.648906E+00
    3.2750  9.439755E-01  3.819668E+00
    3.3250  9.078306E-01  3.988944E+00
    3.3750  8.860092E-01  4.159157E+00
    3.4250  8.636904E-01  4.330035E+00
    3.4750  8.576244E-01  4.504703E+00
    3.5250  8.594308E-01  4.684811E+00
    3.5750  8.597923E-01  4.870144E+00
    3.6250  8.749452E-01  5.064055E+00
    3.6750  8.774968E-01  5.263933E+00
    3.7250  8.867904E-01  5.471462E+00
    3.7750  9.026789E-01  5.688419E+00
    3.8250  9.150519E-01  5.914213E+00
    3.8750  9.288868E-01  6.149453E+00
    3.9250  9.464622E-01  6.395369E+00
    3.9750  9.642495E-01  6.652331E+00
    4.0250  9.870141E-01  6.922018E+00
    4.0750  1.002427E+00  7.202763E+00
    4.1250  1.024348E+00  7.496730E+00
    4.1750  1.036865E+00  7.801547E+00
    4.2250  1.057399E+00  8.119891E+00
    4.2750  1.067607E+00  8.448960E+00
    4.3250  1.084090E+00  8.790972E+00
    4.3750  1.094352E+00  9.144250E+00
    4.4250  1.103523E+00  9.508678E+00
    4.4750  1.114892E+00  9.885227E+00
    4.5250  1.119230E+00  1.027174E+01
    4.5750  1.128076E+00  1.066996E+01
    4.6250  1.126641E+00  1.107641E+01
    4.6750  1.128815E+00  1.149250E+01
    4.7250  1.122417E+00  1.191513E+01
    4.7750  1.111248E+00  1.234246E+01
    4.8250  1.109265E+00  1.277801E+01
    4.8750  1.114133E+00  1.322457E+01
    4.9250  1.094700E+00  1.367240E+01
    4.9750  1.087635E+00  1.412642E+01
    5.0250  1.077706E+00  1.458538E+01
    5.0750  1.068283E+00  1.504942E+01
    5.1250  1.071974E+00  1.552429E+01
    5.1750  1.063444E+00  1.600462E+01
    5.2250  1.061952E+00  1.649359E+01
    5.2750  1.052923E+00  1.698772E+01
    5.3250  1.045583E+00  1.748776E+01
    5.3750  1.037999E+00  1.799353E+01
    5.4250  1.029378E+00  1.850448E+01
    5.4750  1.018170E+00  1.901922E+01
    5.5250  1.013275E+00  1.954089E+01
    5.5750  9.968754E-01  2.006344E+01
    5.6250  9.916156E-01  2.059261E+01
    5.6750  9.870534E-01  2.112874E+01
    5.7250  9.872047E-01  2.167445E+01
    5.7750  9.807532E-01  2.222610E+01
    5.8250  9.733949E-01  2.278313E+01
    5.8750  9.785354E-01  2.335277E+01
    5.9250  9.786878E-01  2.393222E+01
    5.9750  9.786563E-01  2.452148E+01
    6.0250  9.813566E-01  2.512230E+01
    6.0750  9.826708E-01  2.573395E+01
    6.1250  9.868742E-01  2.635837E+01
    6.1750  9.962723E-01  2.699906E+01
    6.2250  1.000403E+00  2.765288E+01
    6.2750  1.004428E+00  2.831991E+01
    6.3250  1.015043E+00  2.900478E+01
    6.3750  1.020129E+00  2.970400E+01
    6.4250  1.026158E+00  3.041844E+01
    6.4750  1.031128E+00  3.114755E+01
    6.5250  1.034352E+00  3.189028E+01
    6.5750  1.040019E+00  3.264856E+01
    6.6250  1.045512E+00  3.342249E+01
    6.6750  1.048583E+00  3.421046E+01
    6.7250  1.053495E+00  3.501402E+01
    6.7750  1.053642E+00  3.582968E+01
    6.8250  1.057875E+00  3.666076E+01
    6.8750  1.058466E+00  3.750453E+01
    6.9250  1.056974E+00  3.835940E+01
    6.9750  1.054148E+00  3.922435E+01
    7.0250  1.055961E+00  4.010326E+01
    7.0750  1.055334E+00  4.099419E+01
    7.1250  1.056887E+00  4.189908E+01
    7.1750  1.056128E+00  4.281606E+01
    7.2250  1.053660E+00  4.374370E+01
    7.2750  1.052038E+00  4.468277E+01
    7.3250  1.047826E+00  4.563098E+01
    7.3750  1.039393E+00  4.658444E+01
    7.4250  1.040413E+00  4.755183E+01
    7.4750  1.035353E+00  4.852752E+01
    7.5250  1.032671E+00  4.951374E+01
    7.5750  1.032712E+00  5.051315E+01
    7.6250  1.026884E+00  5.152009E+01
    7.6750  1.026810E+00  5.254020E+01
    7.7250  1.023954E+00  5.357077E+01
    7.7750  1.019926E+00  5.461061E+01
    7.8250  1.019926E+00  5.566388E+01
    7.8750  1.019632E+00  5.673034E+01
    7.9250  1.019014E+00  5.780973E+01
    7.9750  1.014521E+00  5.889797E+01
    8.0250  1.017278E+00  6.000289E+01
    8.0750  1.014083E+00  6.111810E+01
    8.1250  1.012855E+00  6.224580E+01
    8.1750  1.015076E+00  6.338993E+01
    8.2250  1.010984E+00  6.454343E+01
    8.2750  1.014031E+00  6.571451E+01
    8.3250  1.013990E+00  6.689974E+01
    8.3750  1.016766E+00  6.810253E+01
    8.4250  1.017498E+00  6.932060E+01
    8.4750  1.019821E+00  7.055599E+01
    8.5250  1.018080E+00  7.180386E+01
    8.5750  1.021523E+00  7.307069E+01
    8.6250  1.020846E+00  7.435148E+01
    8.6750  1.020369E+00  7.564656E+01
    8.7250  1.020738E+00  7.695708E+01
    8.7750  1.021157E+00  7.828321E+01
    8.8250  1.021357E+00  7.962477E+01
    8.8750  1.016180E+00  8.097468E+01
    8.9250  1.015132E+00  8.233845E+01
    8.9750  1.016670E+00  8.371962E+01
    9.0250  1.016104E+00  8.511545E+01
    9.0750  1.022295E+00  8.653539E+01
    9.1250  1.020999E+00  8.796920E+01
    9.1750  1.023695E+00  8.942259E+01
    9.2250  1.021488E+00  9.088870E+01
    9.2750  1.018905E+00  9.236699E+01
    9.3250  1.020202E+00  9.386317E+01
    9.3750  1.018466E+00  9.537286E+01
    9.4250  1.016327E+00  9.689550E+01
    9.4750  1.018920E+00  9.843826E+01
    9.5250  1.019662E+00  9.999848E+01
    9.5750  1.017008E+00  1.015710E+02
    9.6250  1.019457E+00  1.031639E+02
    9.6750  1.016817E+00  1.047691E+02
    9.7250  1.017227E+00  1.063917E+02
    9.7750  1.018269E+00  1.080326E+02
    9.8250  1.019419E+00  1.096923E+02
    9.8750  1.016111E+00  1.113634E+02
    9.9250  1.016619E+00  1.130524E+02
    9.9750  1.019911E+00  1.147639E+02
   10.0250  1.021045E+00  1.164946E+02
   10.0750  1.019473E+00  1.182399E+02
   10.1250  1.014968E+00  1.199947E+02
   10.1750  1.014979E+00  1.217670E+02
   10.2250  1.019273E+00  1.235643E+02
   10.2750  1.015125E+00  1.253718E+02
   10.3250  1.014971E+00  1.271966E+02
   10.3750  1.014099E+00  1.290377E+02
   10.4250  1.015136E+00  1.308984E+02
   10.4750  1.013884E+00  1.327746E+02
   10.5250  1.011429E+00  1.346643E+02
   10.5750  1.009970E+00  1.365692E+02
   10.6250  1.012597E+00  1.384971E+02
   10.6750  1.011605E+00  1.404413E+02
   10.7250  1.012023E+00  1.424046E+02
   10.7750  1.008830E+00  1.443800E+02
   10.8250  1.010081E+00  1.463762E+02
   10.8750  1.013328E+00  1.483974E+02
   10.9250  1.014199E+00  1.504390E+02
   10.9750  1.013324E+00  1.524975E+02
   11.0250  1.015145E+00  1.545786E+02
   11.0750  1.014403E+00  1.566770E+02
   11.1250  1.014461E+00  1.587946E+02
   11.1750  1.013242E+00  1.609287E+02
   11.2250  1.011408E+00  1.630780E+02
   11.2750  1.011189E+00  1.652460E+02
   11.3250  1.010865E+00  1.674326E+02
   11.3750  1.008742E+00  1.696339E+02
   11.4250  1.009464E+00  1.718562E+02
   11.4750  1.007204E+00  1.740930E+02
   11.5250  1.007830E+00  1.763507E+02
   11.5750  1.009854E+00  1.786326E+02
   11.6250  1.009822E+00  1.809342E+02
   11.6750  1.009208E+00  1.832542E+02
   11.7250  1.007981E+00  1.855914E+02
   11.7750  1.007967E+00  1.879484E+02
   11.8250  1.007622E+00  1.903247E+02
   11.8750  1.006889E+00  1.927194E+02
   11.9250  1.007711E+00  1.951362E+02
   11.9750  1.007698E+00  1.975734E+02
   12.0250  1.008135E+00  2.000320E+02
   12.0750  1.006491E+00  2.025070E+02
   12.1250  1.006104E+00  2.050017E+02
   12.1750  1.004680E+00  2.075133E+02
   12.2250  1.004706E+00  2.100458E+02
   12.2750  1.005525E+00  2.126010E+02
   12.3250  1.005815E+00  2.151779E+02
   12.3750  1.005463E+00  2.177748E+02
   12.4250  1.005405E+00  2.203926E+02
   12.4750  1.007266E+00  2.230363E+02
   12.5250  1.008589E+00  2.257049E+02
   12.5750  1.007608E+00  2.283921E+02
   12.6250  1.008175E+00  2.311023E+02
   12.6750  1.007191E+00  2.338313E+02
   12.7250  1.006233E+00  2.365793E+02
   12.7750  1.006168E+00  2.393487E+02
   12.8250  1.004730E+00  2.421359E+02
   12.8750  1.006090E+00  2.449486E+02
   12.9250  1.005181E+00  2.477807E+02
   12.9750  1.004616E+00  2.506331E+02
   13.0250  1.006332E+00  2.535125E+02
   13.0750  1.008800E+00  2.564211E+02
   13.1250  1.009048E+00  2.593528E+02
   13.1750  1.006259E+00  2.622986E+02
   13.2250  1.003452E+00  2.652586E+02
   13.2750  1.004360E+00  2.682437E+02
   13.3250  1.002708E+00  2.712463E+02
   13.3750  1.004838E+00  2.742780E+02
   13.4250  1.004162E+00  2.773303E+02
   13.4750  1.002579E+00  2.804006E+02
   13.5250  1.002132E+00  2.834923E+02
   13.5750  1.002886E+00  2.866093E+02
   13.6250  1.005347E+00  2.897569E+02
   13.6750  1.004338E+00  2.929246E+02
   13.7250  1.001082E+00  2.961050E+02
   13.7750  1.004041E+00  2.993182E+02
   13.8250  1.003644E+00  3.025535E+02
   13.8750  1.003899E+00  3.058130E+02
   13.9250  1.002574E+00  3.090917E+02
   13.9750  1.001789E+00  3.123915E+02
   14.0250  1.000534E+00  3.157107E+02
   14.0750  1.002094E+00  3.190588E+02
   14.1250  1.000552E+00  3.224256E+02
   14.1750  1.000670E+00  3.258167E+02
   14.2250  9.989335E-01  3.292258E+02
   14.2750  9.997246E-01  3.326616E+02
   14.3250  9.996194E-01  3.361212E+02
   14.3750  1.000536E+00  3.396082E+02
   14.4250  9.990096E-01  3.431141E+02
   14.4750  9.984145E-01  3.466422E+02
   14.5250  9.986368E-01  3.501956E+02
   14.5750  9.985978E-01  3.537733E+02
   14.6250  9.985178E-01  3.573753E+02
   14.6750  1.001396E+00  3.610125E+02
   14.7250  9.994112E-01  3.646672E+02
   14.7750  9.990997E-01  3.683457E+02
   14.8250  9.968343E-01  3.720406E+02
   14.8750  9.972765E-01  3.757622E+02
   14.9250  9.975580E-01  3.795099E+02
   14.9750  9.974722E-01  3.832825E+02
   15.0250  9.958163E-01  3.870739E+02
   15.0750  9.953018E-01  3.908887E+02
   15.1250  9.969428E-01  3.947352E+02
   15.1750  9.974907E-01  3.986092E+02
   15.2250  9.988886E-01  4.025143E+02
   15.2750  9.975240E-01  4.064397E+02
   15.3250  9.992032E-01  4.103975E+02
   15.3750  1.001474E+00  4.143902E+02
   15.4250  1.000636E+00  4.184056E+02
   15.4750  9.992036E-01  4.224413E+02
   15.5250  9.987004E-01  4.265010E+02
   15.5750  9.990612E-01  4.305884E+02
   15.6250  9.990413E-01  4.347020E+02
   15.6750  9.989768E-01  4.388417E+02
   15.7250  9.986294E-01  4.430064E+02
   15.7750  9.989978E-01  4.471992E+02
   15.8250  9.982344E-01  4.514154E+02
   15.8750  9.979287E-01  4.556569E+02
   15.9250  9.990076E-01  4.599299E+02
   15.9750  9.993510E-01  4.642312E+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  2.816972E-04  1.929681E-05
    1.4750  5.884608E-03  4.511856E-04
    1.5250  4.650667E-02  4.099755E-03
    1.5750  1.956836E-01  2.047473E-02
    1.6250  5.071973E-01  6.565478E-02
    1.6750  9.184100E-01  1.525763E-01
    1.7250  1.283859E+00  2.814471E-01
    1.7750  1.491435E+00  4.399578E-01
    1.8250  1.514139E+00  6.100747E-01
    1.8750  1.390130E+00  7.749336E-01
    1.9250  1.215215E+00  9.268371E-01
    1.9750  1.024656E+00  1.061660E+00
    2.0250  8.481780E-01  1.178984E+00
    2.0750  6.948899E-01  1.279910E+00
    2.1250  5.699743E-01  1.366731E+00
    2.1750  4.744464E-01  1.442441E+00
    2.2250  4.024979E-01  1.509656E+00
    2.2750  3.462932E-01  1.570114E+00
    2.3250  3.079459E-01  1.626266E+00
    2.3750  2.828555E-01  1.680086E+00
    2.4250  2.707028E-01  1.733784E+00
    2.4750  2.691469E-01  1.789398E+00
    2.5250  2.793598E-01  1.849478E+00
    2.5750  2.995947E-01  1.916486E+00
    2.6250  3.393186E-01  1.995356E+00
    2.6750  3.905367E-01  2.089621E+00
    2.7250  4.534421E-01  2.203199E+00
    2.7750  5.291312E-01  2.340644E+00
    2.8250  6.193703E-01  2.507380E+00
    2.8750  7.305530E-01  2.711069E+00
    2.9250  8.544921E-01  2.957672E+00
    2.9750  9.941308E-01  3.254467E+00
    3.0250  1.142337E+00  3.607068E+00
    3.0750  1.280730E+00  4.015562E+00
    3.1250  1.406063E+00  4.478735E+00
    3.1750  1.501603E+00  4.989335E+00
    3.2250  1.560583E+00  5.536834E+00
    3.2750  1.584232E+00  6.109998E+00
    3.3250  1.577025E+00  6.698108E+00
    3.3750  1.548743E+00  7.293172E+00
    3.4250  1.504278E+00  7.888403E+00
    3.4750  1.453906E+00  8.480621E+00
    3.5250  1.398752E+00  9.066888E+00
    3.5750  1.341969E+00  9.645424E+00
    3.6250  1.280783E+00  1.021313E+01
    3.6750  1.228481E+00  1.077279E+01
    3.7250  1.178229E+00  1.132425E+01
    3.7750  1.133298E+00  1.186902E+01
    3.8250  1.093023E+00  1.240844E+01
    3.8750  1.064443E+00  1.294758E+01
    3.9250  1.042396E+00  1.348927E+01
    3.9750  1.025677E+00  1.403593E+01
    4.0250  1.013988E+00  1.459004E+01
    4.0750  1.004654E+00  1.515278E+01
    4.1250  1.002078E+00  1.572793E+01
    4.1750  1.000171E+00  1.631599E+01
    4.2250  9.975365E-01  1.691663E+01
    4.2750  9.973989E-01  1.753149E+01
    4.3250  9.992772E-01  1.816200E+01
    4.3750  9.979268E-01  1.880630E+01
    4.4250  9.991107E-01  1.946620E+01
    4.4750  9.995060E-01  2.014135E+01
    4.5250  9.982574E-01  2.083082E+01
    4.5750  9.991128E-01  2.153621E+01
    4.6250  9.973756E-01  2.225585E+01
    4.6750  1.000114E+00  2.299315E+01
    4.7250  1.000542E+00  2.374663E+01
    4.7750  1.002462E+00  2.451762E+01
    4.8250  1.006475E+00  2.530799E+01
    4.8750  1.014194E+00  2.612101E+01
    4.9250  1.019569E+00  2.695520E+01
    4.9750  1.023672E+00  2.780983E+01
    5.0250  1.028304E+00  2.868567E+01
    5.0750  1.034316E+00  2.958425E+01
    5.1250  1.038268E+00  3.050413E+01
    5.1750  1.043386E+00  3.144667E+01
    5.2250  1.047099E+00  3.241092E+01
    5.2750  1.052686E+00  3.339897E+01
    5.3250  1.056423E+00  3.440940E+01
    5.3750  1.059827E+00  3.544222E+01
    5.4250  1.061177E+00  3.649568E+01
    5.4750  1.062742E+00  3.757024E+01
    5.5250  1.064026E+00  3.866583E+01
    5.5750  1.064006E+00  3.978132E+01
    5.6250  1.062403E+00  4.091519E+01
    5.6750  1.060394E+00  4.206713E+01
    5.7250  1.058766E+00  4.323766E+01
    5.7750  1.057215E+00  4.442698E+01
    5.8250  1.055935E+00  4.563552E+01
    5.8750  1.048458E+00  4.685619E+01
    5.9250  1.043425E+00  4.809177E+01
    5.9750  1.039136E+00  4.934312E+01
    6.0250  1.033771E+00  5.060893E+01
    6.0750  1.029947E+00  5.189108E+01
    6.1250  1.024409E+00  5.318742E+01
    6.1750  1.019875E+00  5.449917E+01
    6.2250  1.017952E+00  5.582974E+01
    6.2750  1.013662E+00  5.717607E+01
    6.3250  1.010807E+00  5.854009E+01
    6.3750  1.008482E+00  5.992257E+01
    6.4250  1.007817E+00  6.132590E+01
    6.4750  1.006934E+00  6.274990E+01
    6.5250  1.008642E+00  6.419844E+01
    6.5750  1.008757E+00  6.566943E+01
    6.6250  1.008038E+00  6.716181E+01
    6.6750  1.010365E+00  6.868030E+01
    6.7250  1.014574E+00  7.022804E+01
    6.7750  1.015067E+00  7.179965E+01
    6.8250  1.019059E+00  7.340081E+01
    6.8750  1.020448E+00  7.502773E+01
    6.9250  1.024592E+00  7.668511E+01
    6.9750  1.025776E+00  7.836845E+01
    7.0250  1.027360E+00  8.007865E+01
    7.0750  1.030658E+00  8.181884E+01
    7.1250  1.031470E+00  8.358511E+01
    7.1750  1.034541E+00  8.538159E+01
    7.2250  1.037617E+00  8.720861E+01
    7.2750  1.037693E+00  8.906114E+01
    7.3250  1.038656E+00  9.094097E+01
    7.3750  1.039882E+00  9.284879E+01
    7.4250  1.042032E+00  9.478657E+01
    7.4750  1.043400E+00  9.675311E+01
    7.5250  1.042481E+00  9.874430E+01
    7.5750  1.040616E+00  1.007584E+02
    7.6250  1.039768E+00  1.027976E+02
    7.6750  1.041209E+00  1.048664E+02
    7.7250  1.039689E+00  1.069592E+02
    7.7750  1.037586E+00  1.090749E+02
    7.8250  1.037823E+00  1.112184E+02
    7.8750  1.034914E+00  1.133833E+02
    7.9250  1.032341E+00  1.155703E+02
    7.9750  1.031296E+00  1.177828E+02
    8.0250  1.030631E+00  1.200216E+02
    8.0750  1.028389E+00  1.222835E+02
    8.1250  1.027431E+00  1.245714E+02
    8.1750  1.025910E+00  1.268840E+02
    8.2250  1.026083E+00  1.292255E+02
    8.2750  1.023151E+00  1.315887E+02
    8.3250  1.022633E+00  1.339794E+02
    8.3750  1.020021E+00  1.363927E+02
    8.4250  1.019034E+00  1.388325E+02
    8.4750  1.019395E+00  1.413022E+02
    8.5250  1.017884E+00  1.437975E+02
    8.5750  1.015488E+00  1.463162E+02
    8.6250  1.015988E+00  1.488656E+02
    8.6750  1.015343E+00  1.514430E+02
    8.7250  1.013270E+00  1.540449E+02
    8.7750  1.013201E+00  1.566765E+02
    8.8250  1.013797E+00  1.593397E+02
    8.8750  1.014172E+00  1.620342E+02
    8.9250  1.013255E+00  1.647567E+02
    8.9750  1.013822E+00  1.675113E+02
    9.0250  1.014164E+00  1.702976E+02
    9.0750  1.014823E+00  1.731167E+02
    9.1250  1.013643E+00  1.759637E+02
    9.1750  1.015544E+00  1.788473E+02
    9.2250  1.016359E+00  1.817648E+02
    9.2750  1.017102E+00  1.847162E+02
    9.3250  1.016881E+00  1.876988E+02
    9.3750  1.017744E+00  1.907160E+02
    9.4250  1.018861E+00  1.937689E+02
    9.4750  1.019159E+00  1.968552E+02
    9.5250  1.019703E+00  1.999757E+02
    9.5750  1.020239E+00  2.031308E+02
    9.6250  1.018675E+00  2.063140E+02
    9.6750  1.020444E+00  2.095360E+02
    9.7250  1.021185E+00  2.127937E+02
    9.7750  1.019726E+00  2.160803E+02
    9.8250  1.018210E+00  2.193957E+02
    9.8750  1.017623E+00  2.227429E+02
    9.9250  1.018329E+00  2.261265E+02
    9.9750  1.018296E+00  2.295442E+02
   10.0250  1.017614E+00  2.329939E+02
   10.0750  1.018994E+00  2.364828E+02
   10.1250  1.018310E+00  2.400041E+02
   10.1750  1.016877E+00  2.435552E+02
   10.2250  1.016765E+00  2.471410E+02
   10.2750  1.015743E+00  2.507582E+02
   10.3250  1.014289E+00  2.544055E+02
   10.3750  1.015236E+00  2.580916E+02
   10.4250  1.014577E+00  2.618110E+02
   10.4750  1.014504E+00  2.655658E+02
   10.5250  1.014913E+00  2.693581E+02
   10.5750  1.014620E+00  2.731854E+02
   10.6250  1.013997E+00  2.770467E+02
   10.6750  1.013441E+00  2.809422E+02
   10.7250  1.013807E+00  2.848757E+02
   10.7750  1.013777E+00  2.888458E+02
   10.8250  1.013235E+00  2.928508E+02
   10.8750  1.012998E+00  2.968918E+02
   10.9250  1.012397E+00  3.009677E+02
   10.9750  1.011637E+00  3.050779E+02
   11.0250  1.011487E+00  3.092250E+02
   11.0750  1.010449E+00  3.134056E+02
   11.1250  1.010518E+00  3.176242E+02
   11.1750  1.009878E+00  3.218782E+02
   11.2250  1.009340E+00  3.261680E+02
   11.2750  1.008855E+00  3.304941E+02
   11.3250  1.008680E+00  3.348578E+02
   11.3750  1.008421E+00  3.392590E+02
   11.4250  1.007790E+00  3.436963E+02
   11.4750  1.008312E+00  3.481747E+02
   11.5250  1.008895E+00  3.526949E+02
   11.5750  1.008781E+00  3.572539E+02
   11.6250  1.009246E+00  3.618545E+02
   11.6750  1.008960E+00  3.664934E+02
   11.7250  1.009509E+00  3.711747E+02
   11.7750  1.008505E+00  3.758913E+02
   11.8250  1.009725E+00  3.806538E+02
   11.8750  1.009068E+00  3.854535E+02
   11.9250  1.009815E+00  3.902974E+02
   11.9750  1.008654E+00  3.951763E+02
   12.0250  1.008650E+00  4.000960E+02
   12.0750  1.008718E+00  4.050570E+02
   12.1250  1.008759E+00  4.100595E+02
   12.1750  1.007254E+00  4.150957E+02
   12.2250  1.008084E+00  4.201776E+02
   12.2750  1.008684E+00  4.253041E+02
   12.3250  1.008353E+00  4.304709E+02
   12.3750  1.007016E+00  4.356727E+02
   12.4250  1.006678E+00  4.409149E+02
   12.4750  1.006740E+00  4.461997E+02
   12.5250  1.006706E+00  4.515267E+02
   12.5750  1.006938E+00  4.568977E+02
   12.6250  1.006709E+00  4.623101E+02
   12.6750  1.006735E+00  4.677657E+02
   12.7250  1.006405E+00  4.732626E+02
   12.7750  1.005895E+00  4.788000E+02
   12.8250  1.006110E+00  4.843820E+02
   12.8750  1.005125E+00  4.900021E+02
   12.9250  1.004790E+00  4.956640E+02
   12.9750  1.004532E+00  5.013684E+02
   13.0250  1.005256E+00  5.071210E+02
   13.0750  1.003734E+00  5.129090E+02
   13.1250  1.003895E+00  5.187423E+02
   13.1750  1.004665E+00  5.246247E+02
   13.2250  1.003763E+00  5.305465E+02
   13.2750  1.003870E+00  5.365137E+02
   13.3250  1.003218E+00  5.425221E+02
   13.3750  1.003684E+00  5.485785E+02
   13.4250  1.003445E+00  5.546788E+02
   13.4750  1.002407E+00  5.608183E+02
   13.5250  1.002836E+00  5.670061E+02
   13.5750  1.003017E+00  5.732408E+02
   13.6250  1.003677E+00  5.795256E+02
   13.6750  1.003083E+00  5.858530E+02
   13.7250  1.002419E+00  5.922225E+02
   13.7750  1.001905E+00  5.986351E+02
   13.8250  1.002332E+00  6.050972E+02
   13.8750  1.001933E+00  6.116035E+02
   13.9250  1.001760E+00  6.181556E+02
   13.9750  1.001956E+00  6.247562E+02
   14.0250  1.002882E+00  6.314102E+02
   14.0750  1.002568E+00  6.381097E+02
   14.1250  1.001756E+00  6.448514E+02
   14.1750  1.001765E+00  6.516409E+02
   14.2250  1.001360E+00  6.584757E+02
   14.2750  1.000989E+00  6.653561E+02
   14.3250  1.000384E+00  6.722805E+02
   14.3750  1.000436E+00  6.792537E+02
   14.4250  1.000596E+00  6.862767E+02
   14.4750  1.000822E+00  6.933500E+02
   14.5250  1.000690E+00  7.004713E+02
   14.5750  1.000252E+00  7.076386E+02
   14.6250  9.999222E-01  7.148528E+02
   14.6750  1.000123E+00  7.221179E+02
   14.7250  9.989279E-01  7.294238E+02
   14.7750  9.989719E-01  7.367797E+02
   14.8250  9.991318E-01  7.441867E+02
   14.8750  9.988985E-01  7.516420E+02
   14.9250  9.981292E-01  7.591417E+02
   14.9750  9.984855E-01  7.666944E+02
   15.0250  9.987648E-01  7.742998E+02
   15.0750  9.970966E-01  7.819431E+02
   15.1250  9.976312E-01  7.896413E+02
   15.1750  9.978007E-01  7.973918E+02
   15.2250  9.980760E-01  8.051957E+02
   15.2750  9.982756E-01  8.130524E+02
   15.3250  9.972345E-01  8.209524E+02
   15.3750  9.971752E-01  8.289036E+02
   15.4250  9.976277E-01  8.369102E+02
   15.4750  9.971049E-01  8.449645E+02
   15.5250  9.978486E-01  8.530771E+02
   15.5750  9.974791E-01  8.612389E+02
   15.6250  9.975020E-01  8.694535E+02
   15.6750  9.976576E-01  8.777220E+02
   15.7250  9.972669E-01  8.860400E+02
   15.7750  9.964374E-01  8.944041E+02
   15.8250  9.965324E-01  9.028221E+02
   15.8750  9.970515E-01  9.112977E+02
   15.9250  9.971438E-01  9.198277E+02
   15.9750  9.966484E-01  9.284070E+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  4.693971E-05  2.780049E-06
    1.3750  1.128169E-04  9.975470E-06
    1.4250  4.917764E-04  4.366312E-05
    1.4750  1.129684E-03  1.265740E-04
    1.5250  3.376845E-03  3.914963E-04
    1.5750  7.615661E-03  1.028782E-03
    1.6250  1.681442E-02  2.526574E-03
    1.6750  3.374199E-02  5.720033E-03
    1.7250  6.414039E-02  1.215830E-02
    1.7750  1.119177E-01  2.405298E-02
    1.8250  1.765721E-01  4.389125E-02
    1.8750  2.595448E-01  7.467130E-02
    1.9250  3.645920E-01  1.202458E-01
    1.9750  4.895049E-01  1.846543E-01
    2.0250  6.256004E-01  2.711905E-01
    2.0750  7.657671E-01  3.824105E-01
    2.1250  9.114971E-01  5.212528E-01
    2.1750  1.045415E+00  6.880756E-01
    2.2250  1.165726E+00  8.827475E-01
    2.2750  1.260091E+00  1.102742E+00
    2.3250  1.339454E+00  1.346983E+00
    2.3750  1.391221E+00  1.611692E+00
    2.4250  1.405525E+00  1.890500E+00
    2.4750  1.398852E+00  2.179545E+00
    2.5250  1.364416E+00  2.472981E+00
    2.5750  1.304668E+00  2.764789E+00
    2.6250  1.230313E+00  3.050756E+00
    2.6750  1.150067E+00  3.328351E+00
    2.7250  1.060411E+00  3.593964E+00
    2.7750  9.835224E-01  3.849440E+00
    2.8250  9.183445E-01  4.096659E+00
    2.8750  8.645170E-01  4.337699E+00
    2.9250  8.318981E-01  4.577782E+00
    2.9750  8.102789E-01  4.819689E+00
    3.0250  7.988486E-01  5.066266E+00
    3.0750  8.006563E-01  5.321639E+00
    3.1250  8.079978E-01  5.587803E+00
    3.1750  8.209495E-01  5.866955E+00
    3.2250  8.402591E-01  6.161743E+00
    3.2750  8.644673E-01  6.474501E+00
    3.3250  8.939227E-01  6.807867E+00
    3.3750  9.199960E-01  7.161351E+00
    3.4250  9.508883E-01  7.537610E+00
    3.4750  9.856943E-01  7.939113E+00
    3.5250  1.022271E+00  8.367582E+00
    3.5750  1.055068E+00  8.822433E+00
    3.6250  1.087472E+00  9.304458E+00
    3.6750  1.117792E+00  9.813684E+00
    3.7250  1.146078E+00  1.035010E+01
    3.7750  1.168135E+00  1.091162E+01
    3.8250  1.183933E+00  1.149590E+01
    3.8750  1.193787E+00  1.210055E+01
    3.9250  1.194846E+00  1.272146E+01
    3.9750  1.192385E+00  1.335697E+01
    4.0250  1.183413E+00  1.400367E+01
    4.0750  1.164433E+00  1.465591E+01
    4.1250  1.144882E+00  1.531303E+01
    4.1750  1.127021E+00  1.597567E+01
    4.2250  1.110616E+00  1.664440E+01
    4.2750  1.094849E+00  1.731933E+01
    4.3250  1.083501E+00  1.800298E+01
    4.3750  1.072648E+00  1.869553E+01
    4.4250  1.066720E+00  1.940007E+01
    4.4750  1.063788E+00  2.011865E+01
    4.5250  1.061464E+00  2.085177E+01
    4.5750  1.060458E+00  2.160047E+01
    4.6250  1.058746E+00  2.236439E+01
    4.6750  1.056218E+00  2.314306E+01
    4.7250  1.054062E+00  2.393684E+01
    4.7750  1.054768E+00  2.474806E+01
    4.8250  1.052878E+00  2.557487E+01
    4.8750  1.049581E+00  2.641626E+01
    4.9250  1.044231E+00  2.727062E+01
    4.9750  1.043619E+00  2.814191E+01
    5.0250  1.039668E+00  2.902743E+01
    5.0750  1.034505E+00  2.992617E+01
    5.1250  1.030524E+00  3.083919E+01
    5.1750  1.026470E+00  3.176644E+01
    5.2250  1.023950E+00  3.270938E+01
    5.2750  1.019543E+00  3.366632E+01
    5.3250  1.015874E+00  3.463797E+01
    5.3750  1.015710E+00  3.562780E+01
    5.4250  1.014130E+00  3.663455E+01
    5.4750  1.013490E+00  3.765931E+01
    5.5250  1.014768E+00  3.870418E+01
    5.5750  1.014121E+00  3.976737E+01
    5.6250  1.015988E+00  4.085171E+01
    5.6750  1.018211E+00  4.195783E+01
    5.7250  1.021289E+00  4.308692E+01
    5.7750  1.024024E+00  4.423891E+01
    5.8250  1.027209E+00  4.541457E+01
    5.8750  1.029322E+00  4.661296E+01
    5.9250  1.031625E+00  4.783456E+01
    5.9750  1.032656E+00  4.907811E+01
    6.0250  1.036268E+00  5.034698E+01
    6.0750  1.035937E+00  5.163659E+01
    6.1250  1.036842E+00  5.294865E+01
    6.1750  1.038684E+00  5.428460E+01
    6.2250  1.040109E+00  5.564413E+01
    6.2750  1.039895E+00  5.702530E+01
    6.3250  1.038738E+00  5.842701E+01
    6.3750  1.038549E+00  5.985071E+01
    6.4250  1.037725E+00  6.129568E+01
    6.4750  1.037116E+00  6.276237E+01
    6.5250  1.034693E+00  6.424832E+01
    6.5750  1.035115E+00  6.575774E+01
    6.6250  1.033110E+00  6.728724E+01
    6.6750  1.032028E+00  6.883829E+01
    6.7250  1.029608E+00  7.040897E+01
    6.7750  1.027849E+00  7.200036E+01
    6.8250  1.026552E+00  7.361330E+01
    6.8750  1.027046E+00  7.525074E+01
    6.9250  1.025749E+00  7.690999E+01
    6.9750  1.026624E+00  7.859472E+01
    7.0250  1.025000E+00  8.030099E+01
    7.0750  1.025152E+00  8.203189E+01
    7.1250  1.025013E+00  8.378710E+01
    7.1750  1.025305E+00  8.556754E+01
    7.2250  1.025931E+00  8.737398E+01
    7.2750  1.025387E+00  8.920455E+01
    7.3250  1.026273E+00  9.106196E+01
    7.3750  1.026114E+00  9.294453E+01
    7.4250  1.026902E+00  9.485417E+01
    7.4750  1.026390E+00  9.678865E+01
    7.5250  1.027293E+00  9.875083E+01
    7.5750  1.029501E+00  1.007434E+02
    7.6250  1.030038E+00  1.027635E+02
    7.6750  1.030740E+00  1.048115E+02
    7.7250  1.030488E+00  1.068858E+02
    7.7750  1.030020E+00  1.089861E+02
    7.8250  1.030159E+00  1.111138E+02
    7.8750  1.029320E+00  1.132669E+02
    7.9250  1.029618E+00  1.154482E+02
    7.9750  1.029351E+00  1.176565E+02
    8.0250  1.028448E+00  1.198906E+02
    8.0750  1.028360E+00  1.221524E+02
    8.1250  1.027498E+00  1.244404E+02
    8.1750  1.028263E+00  1.267584E+02
    8.2250  1.028088E+00  1.291044E+02
    8.2750  1.028458E+00  1.314799E+02
    8.3250  1.026914E+00  1.338806E+02
    8.3750  1.025180E+00  1.363061E+02
    8.4250  1.023916E+00  1.387576E+02
    8.4750  1.024208E+00  1.412390E+02
    8.5250  1.024612E+00  1.437508E+02
    8.5750  1.022955E+00  1.462879E+02
    8.6250  1.022920E+00  1.488547E+02
    8.6750  1.021466E+00  1.514477E+02
    8.7250  1.021023E+00  1.540695E+02
    8.7750  1.021136E+00  1.567217E+02
    8.8250  1.021519E+00  1.594052E+02
    8.8750  1.020845E+00  1.621174E+02
    8.9250  1.020236E+00  1.648587E+02
    8.9750  1.018593E+00  1.676262E+02
    9.0250  1.018644E+00  1.704249E+02
    9.0750  1.017704E+00  1.732520E+02
    9.1250  1.016744E+00  1.761077E+02
    9.1750  1.016485E+00  1.789940E+02
    9.2250  1.016261E+00  1.819112E+02
    9.2750  1.015881E+00  1.848590E+02
    9.3250  1.014978E+00  1.878360E+02
    9.3750  1.014524E+00  1.908437E+02
    9.4250  1.015458E+00  1.938864E+02
    9.4750  1.015650E+00  1.969620E+02
    9.5250  1.015913E+00  2.000710E+02
    9.5750  1.016406E+00  2.032142E+02
    9.6250  1.015621E+00  2.063879E+02
    9.6750  1.015891E+00  2.095955E+02
    9.7250  1.015871E+00  2.128362E+02
    9.7750  1.015289E+00  2.161085E+02
    9.8250  1.016148E+00  2.194172E+02
    9.8750  1.015946E+00  2.227590E+02
    9.9250  1.016418E+00  2.261362E+02
    9.9750  1.016340E+00  2.295473E+02
   10.0250  1.016563E+00  2.329934E+02
   10.0750  1.017098E+00  2.364759E+02
   10.1250  1.017277E+00  2.399936E+02
   10.1750  1.016573E+00  2.435436E+02
   10.2250  1.015885E+00  2.471263E+02
   10.2750  1.015201E+00  2.507416E+02
   10.3250  1.015700E+00  2.543940E+02
   10.3750  1.015729E+00  2.580819E+02
   10.4250  1.015856E+00  2.618059E+02
   10.4750  1.015224E+00  2.655634E+02
   10.5250  1.015420E+00  2.693576E+02
   10.5750  1.014910E+00  2.731860E+02
   10.6250  1.014123E+00  2.770477E+02
   10.6750  1.013760E+00  2.809445E+02
   10.7250  1.013780E+00  2.848779E+02
   10.7750  1.013417E+00  2.888466E+02
   10.8250  1.013053E+00  2.928508E+02
   10.8750  1.012276E+00  2.968890E+02
   10.9250  1.012434E+00  3.009651E+02
   10.9750  1.012657E+00  3.050794E+02
   11.0250  1.013344E+00  3.092341E+02
   11.0750  1.012441E+00  3.134229E+02
   11.1250  1.011420E+00  3.176453E+02
   11.1750  1.011328E+00  3.219054E+02
   11.2250  1.010501E+00  3.262002E+02
   11.2750  1.010112E+00  3.305316E+02
   11.3250  1.010843E+00  3.349047E+02
   11.3750  1.011620E+00  3.393199E+02
   11.4250  1.011352E+00  3.437728E+02
   11.4750  1.010905E+00  3.482628E+02
   11.5250  1.010051E+00  3.527882E+02
   11.5750  1.010052E+00  3.573529E+02
   11.6250  1.008761E+00  3.619513E+02
   11.6750  1.009040E+00  3.665906E+02
   11.7250  1.008666E+00  3.712679E+02
   11.7750  1.009056E+00  3.759871E+02
   11.8250  1.008326E+00  3.807430E+02
   11.8750  1.007074E+00  3.855333E+02
   11.9250  1.007521E+00  3.903661E+02
   11.9750  1.008049E+00  3.952421E+02
   12.0250  1.007573E+00  4.001565E+02
   12.0750  1.008214E+00  4.051151E+02
   12.1250  1.008053E+00  4.101140E+02
   12.1750  1.007921E+00  4.151536E+02
   12.2250  1.007176E+00  4.202309E+02
   12.2750  1.006578E+00  4.253468E+02
   12.3250  1.006747E+00  4.305053E+02
   12.3750  1.006448E+00  4.357042E+02
   12.4250  1.006268E+00  4.409442E+02
   12.4750  1.006363E+00  4.462270E+02
   12.5250  1.006861E+00  4.515549E+02
   12.5750  1.006672E+00  4.569244E+02
   12.6250  1.006290E+00  4.623346E+02
   12.6750  1.005400E+00  4.677830E+02
   12.7250  1.005639E+00  4.732757E+02
   12.7750  1.006515E+00  4.788165E+02
   12.8250  1.006138E+00  4.843986E+02
   12.8750  1.006322E+00  4.900254E+02
   12.9250  1.005802E+00  4.956930E+02
   12.9750  1.006094E+00  5.014063E+02
   13.0250  1.005859E+00  5.071623E+02
   13.0750  1.005231E+00  5.129590E+02
   13.1250  1.004682E+00  5.187969E+02
   13.1750  1.004613E+00  5.246789E+02
   13.2250  1.004490E+00  5.306050E+02
   13.2750  1.004369E+00  5.365752E+02
   13.3250  1.004316E+00  5.425902E+02
   13.3750  1.003267E+00  5.486441E+02
   13.4250  1.003932E+00  5.547473E+02
   13.4750  1.003721E+00  5.608949E+02
   13.5250  1.004141E+00  5.670907E+02
   13.5750  1.003690E+00  5.733296E+02
   13.6250  1.003248E+00  5.796118E+02
   13.6750  1.002937E+00  5.859382E+02
   13.7250  1.002420E+00  5.923077E+02
   13.7750  1.001860E+00  5.987201E+02
   13.8250  1.001977E+00  6.051798E+02
   13.8750  1.001145E+00  6.116810E+02
   13.9250  1.001055E+00  6.182285E+02
   13.9750  1.001801E+00  6.248281E+02
   14.0250  1.001203E+00  6.314710E+02
   14.0750  1.001096E+00  6.381606E+02
   14.1250  1.001897E+00  6.449032E+02
   14.1750  1.001192E+00  6.516889E+02
   14.2250  1.001511E+00  6.585247E+02
   14.2750  1.001410E+00  6.654079E+02
   14.3250  1.000899E+00  6.723360E+02
   14.3750  1.000692E+00  6.793110E+02
   14.4250  1.000562E+00  6.863337E+02
   14.4750  1.000080E+00  6.934018E+02
   14.5250  9.996386E-01  7.005156E+02
   14.5750  9.995480E-01  7.076779E+02
   14.6250  9.991220E-01  7.148863E+02
   14.6750  9.986750E-01  7.221408E+02
   14.7250  9.989130E-01  7.294466E+02
   14.7750  9.991992E-01  7.368042E+02
   14.8250  9.988408E-01  7.442090E+02
   14.8750  9.986258E-01  7.516623E+02
   14.9250  9.989874E-01  7.591684E+02
   14.9750  9.984673E-01  7.667211E+02
   15.0250  9.987527E-01  7.743263E+02
   15.0750  9.982449E-01  7.819785E+02
   15.1250  9.981066E-01  7.896803E+02
   15.1750  9.987381E-01  7.974381E+02
   15.2250  9.986794E-01  8.052467E+02
   15.2750  9.982700E-01  8.131034E+02
   15.3250  9.977707E-01  8.210076E+02
   15.3750  9.977945E-01  8.289637E+02
   15.4250  9.978702E-01  8.369723E+02
   15.4750  9.977580E-01  8.450319E+02
   15.5250  9.979392E-01  8.531452E+02
   15.5750  9.980951E-01  8.613121E+02
   15.6250  9.979580E-01  8.695304E+02
   15.6750  9.981421E-01  8.778029E+02
   15.7250  9.979450E-01  8.861266E+02
   15.7750  9.979818E-01  8.945036E+02
   15.8250  9.976799E-01  9.029313E+02
   15.8750  9.974872E-01  9.114107E+02
   15.9250  9.975322E-01  9.199439E+02
   15.9750  9.967844E-01  9.285244E+02

 time elapsed since job start =         433.942 seconds

