
                    DL_POLY Version 2.20

                              Running on   32 nodes


 ************************************************************************************************************************
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 ***************     DL_POLY BENCHMARK 8: MAGNESIUM OXIDE MICROCRYSTAL                                    ***************
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 ************************************************************************************************************************
 ************************************************************************************************************************


 SIMULATION CONTROL PARAMETERS


 simulation temperature           2.0000E+03

 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               5.0000E+01

 real space cut off (vdw)         1.0000E+01

 border width of Verlet shell     1.0000E+01


 Electrostatics : Coulombic potential

 temperature scaling on
 temperature scaling interval           10

 data printing interval                 10

 statistics file interval               10

 equilibration included in overall averages

 user allocated job time (h)      1.6667

 job closure time        (s)     100.000


SYSTEM SPECIFICATION

 energy units=electron volts 


 number of molecular types               1

 molecular species type                  1


 name of species:             MgO crystallite                         

 number of molecules                  2708

 number of atoms/sites                   2


 atomic characteristics:

                      site     name          mass        charge    repeat    freeze

                         1     Mg+         24.00000     2.00000         1         0
                         2     O2-         16.00000    -2.00000         1         0


 number of specified pair potentials         3


                atom 1  atom 2      key                              parameters


                Mg+     Mg+       lj       0.00000E+00  0.00000E+00
                Mg+     O2-       buck     8.21600E+02  3.24200E-01  0.00000E+00
                O2-     O2-       buck     2.27644E+04  1.49000E-01  2.03700E+01

 configuration file name: 

          DL_POLY BENCHMARK 8: MAGNESIUM OXIDE MICROCRYSTAL                               


 selected image convention               0

  *** warning - atomistic cutoff with electrostatics ***


 simulation cell vectors


                       180.000000    0.000000    0.000000
                         0.000000  180.000000    0.000000
                         0.000000    0.000000  180.000000


 system volume            0.00000000000    


 link cell algorithm in use


 total degrees of freedom                     16242.
 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)       fx(i)       fy(i)       fz(i)


      1 -7.9229E-01 -9.4249E+00 -2.2069E+01  1.7100E+01 -3.9858E+00 -8.5226E+00 -4.0872E+04 -3.5754E+03  1.4585E+04
    272  3.1054E+00 -2.1788E+01 -7.6383E+00  7.1511E+00  6.8475E-01  1.5161E+01  1.1974E+04 -1.0988E+04  4.9188E+04
    543 -9.5224E-01 -2.2088E+01 -8.7284E-01  5.6411E+00  2.2593E+00  1.0214E+00 -2.3562E+03 -9.5710E+03 -1.9251E+04
    814  7.3572E+00  1.9919E+01  7.8876E-01  5.9283E+00  1.3055E+00  8.6445E+00  1.3186E+04 -2.6433E+03  2.0859E+04
   1085  7.0125E+00  2.0078E+01  6.9204E+00 -1.0099E+01  1.3815E+00 -2.1644E+00  2.3322E+04 -6.2520E+03  4.0333E+04
   1356 -2.7071E+00 -1.0831E+01 -2.0311E+01 -5.0276E+00 -4.2221E-01  1.8125E+01  2.7988E+04 -6.0789E+04 -2.1970E+04
   1627  9.5487E+00 -3.0093E+00 -9.3410E+00 -2.5080E+00 -9.4289E+00  1.1319E+01 -4.2091E+03 -2.0176E+04 -1.1386E+03
   1898 -7.3406E+00  5.2360E+00 -3.3525E+00 -3.8351E+00  7.4024E+00 -4.7745E+00  1.5765E+03  1.1268E+04  1.4354E+04
   2169  9.5600E+00 -3.2559E+00  3.1905E+00 -1.5043E+01  5.5013E+00 -1.0578E+01 -1.2126E+04  8.4819E+03 -9.3889E+03
   2440 -1.1435E+01  5.0287E+00  9.1270E+00  5.6654E+00 -3.2358E+00 -3.5070E+00  1.6152E+03  1.0818E+04  1.4924E+04
   2711  2.9478E+00 -1.1145E+01 -2.0232E+01  7.3712E+00  2.4077E+00  1.1866E+01 -1.1973E+04 -4.6255E+04 -1.0559E+04
   2982  7.2694E+00 -3.3609E+00 -9.4714E+00  4.4637E+00  9.2228E+00 -3.1458E+00  1.6868E+04 -1.2309E+03 -9.9287E+03
   3253 -5.3248E+00  5.2952E+00 -3.1268E+00  1.0615E-01 -8.9674E+00  1.7675E+00  6.6074E+03 -7.3011E+03  2.3332E+03
   3524  7.3691E+00 -3.1871E+00  3.0487E+00 -2.1715E+00  1.7652E+00 -1.8706E+01 -3.4358E+03  1.2496E+04  9.5267E+03
   3795 -9.4550E+00  5.2937E+00  9.5903E+00 -1.2304E+01 -1.1860E+01 -5.2310E+00 -8.6980E+02  2.1324E+03  1.7572E+03
   4066 -3.3437E+00 -5.2557E+00 -2.2458E+01  2.9893E+00 -3.1793E+01  4.1701E+00  1.7254E+04 -9.1626E+02 -3.3902E+03
   4337 -3.2379E+00 -1.7924E+01 -7.4800E+00  5.3300E+00  5.6059E+00 -4.4732E+00  1.3230E+04  2.1637E+04 -3.6981E+02
   4608  5.2579E+00 -2.2067E+01 -9.8245E-01  1.0591E+01 -3.0238E+01 -3.9599E+00 -3.9259E+03  4.9627E+03  1.1449E+04
   4879 -3.0961E+00 -2.2273E+01  5.2221E+00  1.8995E+00  6.8432E+00 -6.7503E+00 -2.0376E+04  1.7532E+04  2.0148E+03
   5150 -3.6816E+00 -1.8158E+01  1.2078E+01 -4.5586E+00 -9.5152E+00  6.7390E+00  1.6989E+04 -9.4544E+03 -4.8167E+03


long range correction for: vdw energy     0.000000E+00
                         : vdw pressure  -0.000000E+00

 time elapsed since job start =           7.136 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 -1.0497E+05  2.0035E+03 -1.0637E+05  2.5741E+04 -1.3211E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.000f -1.0497E+05  0.0000E+00 -1.8916E+04 -1.5103E+05  1.3211E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   7.213s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0497E+05  2.0035E+03 -1.0637E+05  2.5741E+04 -1.3211E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0497E+05  0.0000E+00 -1.8916E+04 -1.5103E+05  1.3211E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
       10 -1.0497E+05  2.1822E+03 -1.0650E+05  2.4990E+04 -1.3149E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  10.000f -1.0497E+05  0.0000E+00 -1.6864E+04 -1.4835E+05  1.3149E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   7.772s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0497E+05  2.1113E+03 -1.0645E+05  2.5428E+04 -1.3188E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0497E+05  0.0000E+00 -1.8061E+04 -1.4994E+05  1.3188E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
       20 -1.0510E+05  1.7698E+03 -1.0634E+05  2.4091E+04 -1.3043E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  20.000f -1.0510E+05  0.0000E+00 -1.4301E+04 -1.4473E+05  1.3043E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   8.388s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0504E+05  1.9972E+03 -1.0643E+05  2.4944E+04 -1.3138E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0504E+05  0.0000E+00 -1.6715E+04 -1.4809E+05  1.3138E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
       30 -1.0494E+05  2.0912E+03 -1.0640E+05  2.3988E+04 -1.3039E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  30.000f -1.0494E+05  0.0000E+00 -1.3869E+04 -1.4426E+05  1.3039E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   8.995s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0500E+05  2.0051E+03 -1.0641E+05  2.4598E+04 -1.3100E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0500E+05  0.0000E+00 -1.5724E+04 -1.4673E+05  1.3100E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
       40 -1.0502E+05  2.3101E+03 -1.0664E+05  2.4293E+04 -1.3093E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  40.000f -1.0502E+05  0.0000E+00 -1.4287E+04 -1.4522E+05  1.3093E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   9.630s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0501E+05  2.0504E+03 -1.0644E+05  2.4505E+04 -1.3095E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0501E+05  0.0000E+00 -1.5364E+04 -1.4631E+05  1.3095E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
       50 -1.0524E+05  2.0807E+03 -1.0670E+05  2.3689E+04 -1.3038E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  50.000f -1.0524E+05  0.0000E+00 -1.2190E+04 -1.4257E+05  1.3038E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  10.255s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0505E+05  2.0432E+03 -1.0648E+05  2.4408E+04 -1.3089E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0505E+05  0.0000E+00 -1.4956E+04 -1.4585E+05  1.3089E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
       60 -1.0531E+05  2.1373E+03 -1.0680E+05  2.2993E+04 -1.2980E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  60.000f -1.0531E+05  0.0000E+00 -9.5887E+03 -1.3938E+05  1.2980E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  10.861s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0510E+05  2.0513E+03 -1.0653E+05  2.4221E+04 -1.3075E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0510E+05  0.0000E+00 -1.4249E+04 -1.4500E+05  1.3075E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
       70 -1.0541E+05  2.0598E+03 -1.0685E+05  2.2396E+04 -1.2925E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  70.000f -1.0541E+05  0.0000E+00 -7.2837E+03 -1.3653E+05  1.2925E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  11.483s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0514E+05  2.0458E+03 -1.0657E+05  2.3998E+04 -1.3057E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0514E+05  0.0000E+00 -1.3401E+04 -1.4397E+05  1.3057E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0545E+05  2.0843E+03 -1.0691E+05  2.2108E+04 -1.2902E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  80.000f -1.0545E+05  0.0000E+00 -5.8447E+03 -1.3487E+05  1.2902E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  12.090s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0518E+05  2.0471E+03 -1.0661E+05  2.3775E+04 -1.3039E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0518E+05  0.0000E+00 -1.2526E+04 -1.4291E+05  1.3039E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
       90 -1.0552E+05  1.9989E+03 -1.0692E+05  2.1807E+04 -1.2873E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  90.000f -1.0552E+05  0.0000E+00 -4.4653E+03 -1.3319E+05  1.2873E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  12.712s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0522E+05  2.0411E+03 -1.0665E+05  2.3573E+04 -1.3022E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0522E+05  0.0000E+00 -1.1706E+04 -1.4193E+05  1.3022E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      100 -1.0553E+05  2.0264E+03 -1.0695E+05  2.1430E+04 -1.2838E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 100.000f -1.0553E+05  0.0000E+00 -2.8435E+03 -1.3122E+05  1.2838E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  13.331s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0525E+05  2.0382E+03 -1.0667E+05  2.3376E+04 -1.3005E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0525E+05  0.0000E+00 -1.0891E+04 -1.4094E+05  1.3005E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      110 -1.0555E+05  2.0078E+03 -1.0695E+05  2.1145E+04 -1.2810E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 110.000f -1.0555E+05  0.0000E+00 -1.5354E+03 -1.2963E+05  1.2810E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  13.937s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0531E+05  2.0274E+03 -1.0672E+05  2.2959E+04 -1.2968E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0531E+05  0.0000E+00 -9.2945E+03 -1.3898E+05  1.2968E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      120 -1.0556E+05  2.0137E+03 -1.0697E+05  2.0952E+04 -1.2792E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 120.000f -1.0556E+05  0.0000E+00 -4.8800E+02 -1.2841E+05  1.2792E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  14.559s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  2.0398E+03 -1.0678E+05  2.2617E+04 -1.2940E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00 -7.8533E+03 -1.3725E+05  1.2940E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      130 -1.0557E+05  1.9837E+03 -1.0696E+05  2.0663E+04 -1.2762E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 130.000f -1.0557E+05  0.0000E+00  8.0407E+02 -1.2681E+05  1.2762E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  15.174s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0366E+03 -1.0684E+05  2.2307E+04 -1.2915E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00 -6.4595E+03 -1.3561E+05  1.2915E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      140 -1.0555E+05  2.0053E+03 -1.0696E+05  2.0397E+04 -1.2735E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 140.000f -1.0555E+05  0.0000E+00  2.0127E+03 -1.2534E+05  1.2735E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  15.785s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0547E+05  2.0179E+03 -1.0688E+05  2.1934E+04 -1.2882E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0547E+05  0.0000E+00 -4.8806E+03 -1.3370E+05  1.2882E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      150 -1.0556E+05  1.9856E+03 -1.0695E+05  2.0230E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 150.000f -1.0556E+05  0.0000E+00  2.8741E+03 -1.2430E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  16.406s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0550E+05  2.0158E+03 -1.0691E+05  2.1563E+04 -1.2847E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0550E+05  0.0000E+00 -3.2985E+03 -1.3177E+05  1.2847E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0557E+05  1.9833E+03 -1.0695E+05  2.0046E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 160.000f -1.0557E+05  0.0000E+00  3.7941E+03 -1.2321E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  17.011s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0553E+05  2.0056E+03 -1.0693E+05  2.1247E+04 -1.2818E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00 -1.8896E+03 -1.3007E+05  1.2818E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      170 -1.0553E+05  1.9813E+03 -1.0692E+05  1.9846E+04 -1.2676E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 170.000f -1.0553E+05  0.0000E+00  4.7176E+03 -1.2204E+05  1.2676E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  17.638s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0554E+05  2.0035E+03 -1.0694E+05  2.0975E+04 -1.2792E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00 -6.2702E+02 -1.2854E+05  1.2792E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      180 -1.0552E+05  1.9548E+03 -1.0689E+05  1.9686E+04 -1.2658E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 180.000f -1.0552E+05  0.0000E+00  5.5340E+03 -1.2104E+05  1.2658E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  18.251s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0555E+05  1.9950E+03 -1.0694E+05  2.0729E+04 -1.2767E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  5.2873E+02 -1.2714E+05  1.2767E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      190 -1.0548E+05  1.9874E+03 -1.0687E+05  1.9504E+04 -1.2637E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 190.000f -1.0548E+05  0.0000E+00  6.3726E+03 -1.2000E+05  1.2637E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  18.861s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0554E+05  1.9955E+03 -1.0694E+05  2.0491E+04 -1.2743E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  1.6449E+03 -1.2579E+05  1.2743E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      200 -1.0549E+05  1.9387E+03 -1.0685E+05  1.9380E+04 -1.2623E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 200.000f -1.0549E+05  0.0000E+00  7.0392E+03 -1.1919E+05  1.2623E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  19.483s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0554E+05  1.9904E+03 -1.0693E+05  2.0275E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.6746E+03 -1.2453E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      210 -1.0545E+05  1.9869E+03 -1.0684E+05  1.9259E+04 -1.2610E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 210.000f -1.0545E+05  0.0000E+00  7.6689E+03 -1.1844E+05  1.2610E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  20.090s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0553E+05  1.9894E+03 -1.0692E+05  2.0080E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.6233E+03 -1.2338E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      220 -1.0544E+05  1.9423E+03 -1.0680E+05  1.9163E+04 -1.2596E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 220.000f -1.0544E+05  0.0000E+00  8.1526E+03 -1.1781E+05  1.2596E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  20.710s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0552E+05  1.9858E+03 -1.0691E+05  1.9897E+04 -1.2680E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0552E+05  0.0000E+00  4.5135E+03 -1.2229E+05  1.2680E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      230 -1.0541E+05  1.9368E+03 -1.0677E+05  1.9083E+04 -1.2585E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 230.000f -1.0541E+05  0.0000E+00  8.5765E+03 -1.1727E+05  1.2585E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  21.330s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0550E+05  1.9832E+03 -1.0689E+05  1.9728E+04 -1.2662E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0550E+05  0.0000E+00  5.3338E+03 -1.2128E+05  1.2662E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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

 ------------------------------------------------------------------------------------------------------------------------
      240 -1.0538E+05  1.9457E+03 -1.0674E+05  1.9020E+04 -1.2576E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 240.000f -1.0538E+05  0.0000E+00  8.9557E+03 -1.1680E+05  1.2576E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  21.937s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0548E+05  1.9805E+03 -1.0687E+05  1.9583E+04 -1.2645E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  6.0609E+03 -1.2039E+05  1.2645E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      250 -1.0535E+05  1.9395E+03 -1.0671E+05  1.8901E+04 -1.2561E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 250.000f -1.0535E+05  0.0000E+00  9.4896E+03 -1.1612E+05  1.2561E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  22.564s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0546E+05  1.9777E+03 -1.0684E+05  1.9448E+04 -1.2629E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0546E+05  0.0000E+00  6.7361E+03 -1.1956E+05  1.2629E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      260 -1.0529E+05  1.9539E+03 -1.0666E+05  1.8824E+04 -1.2548E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 260.000f -1.0529E+05  0.0000E+00  9.8613E+03 -1.1562E+05  1.2548E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  23.167s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9763E+03 -1.0682E+05  1.9320E+04 -1.2614E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  7.3709E+03 -1.1877E+05  1.2614E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      270 -1.0523E+05  1.9304E+03 -1.0658E+05  1.8767E+04 -1.2535E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 270.000f -1.0523E+05  0.0000E+00  1.0120E+04 -1.1523E+05  1.2535E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  23.781s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0540E+05  1.9733E+03 -1.0679E+05  1.9206E+04 -1.2599E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0540E+05  0.0000E+00  7.9396E+03 -1.1805E+05  1.2599E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      280 -1.0517E+05  1.9687E+03 -1.0655E+05  1.8710E+04 -1.2526E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 280.000f -1.0517E+05  0.0000E+00  1.0399E+04 -1.1486E+05  1.2526E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  24.398s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0537E+05  1.9741E+03 -1.0675E+05  1.9103E+04 -1.2586E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0537E+05  0.0000E+00  8.4532E+03 -1.1740E+05  1.2586E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      290 -1.0517E+05  1.9422E+03 -1.0653E+05  1.8739E+04 -1.2527E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 290.000f -1.0517E+05  0.0000E+00  1.0411E+04 -1.1486E+05  1.2527E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  25.001s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  1.9718E+03 -1.0672E+05  1.9017E+04 -1.2573E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  8.8939E+03 -1.1684E+05  1.2573E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      300 -1.0513E+05  1.9350E+03 -1.0649E+05  1.8754E+04 -1.2524E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 300.000f -1.0513E+05  0.0000E+00  1.0405E+04 -1.1483E+05  1.2524E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  25.620s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0530E+05  1.9716E+03 -1.0668E+05  1.8949E+04 -1.2563E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0530E+05  0.0000E+00  9.2592E+03 -1.1637E+05  1.2563E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      310 -1.0510E+05  1.9617E+03 -1.0648E+05  1.8769E+04 -1.2524E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 310.000f -1.0510E+05  0.0000E+00  1.0439E+04 -1.1480E+05  1.2524E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  26.233s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0527E+05  1.9699E+03 -1.0664E+05  1.8894E+04 -1.2554E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0527E+05  0.0000E+00  9.5597E+03 -1.1598E+05  1.2554E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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

 ------------------------------------------------------------------------------------------------------------------------
      320 -1.0506E+05  1.9431E+03 -1.0642E+05  1.8769E+04 -1.2519E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 320.000f -1.0506E+05  0.0000E+00  1.0453E+04 -1.1474E+05  1.2519E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  26.842s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0523E+05  1.9703E+03 -1.0661E+05  1.8850E+04 -1.2546E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0523E+05  0.0000E+00  9.8123E+03 -1.1564E+05  1.2546E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      330 -1.0503E+05  1.9631E+03 -1.0640E+05  1.8834E+04 -1.2523E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 330.000f -1.0503E+05  0.0000E+00  1.0287E+04 -1.1495E+05  1.2523E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  27.455s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0519E+05  1.9713E+03 -1.0657E+05  1.8819E+04 -1.2539E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0519E+05  0.0000E+00  1.0008E+04 -1.1538E+05  1.2539E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      340 -1.0501E+05  1.9665E+03 -1.0639E+05  1.8866E+04 -1.2525E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 340.000f -1.0501E+05  0.0000E+00  1.0217E+04 -1.1503E+05  1.2525E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  28.058s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0515E+05  1.9725E+03 -1.0653E+05  1.8799E+04 -1.2533E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0515E+05  0.0000E+00  1.0154E+04 -1.1518E+05  1.2533E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      350 -1.0494E+05  1.9700E+03 -1.0632E+05  1.8898E+04 -1.2522E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 350.000f -1.0494E+05  0.0000E+00  1.0093E+04 -1.1512E+05  1.2522E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  28.678s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0511E+05  1.9738E+03 -1.0650E+05  1.8791E+04 -1.2529E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0511E+05  0.0000E+00  1.0246E+04 -1.1504E+05  1.2529E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      360 -1.0493E+05  2.0087E+03 -1.0633E+05  1.8969E+04 -1.2530E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 360.000f -1.0493E+05  0.0000E+00  9.9220E+03 -1.1538E+05  1.2530E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  29.289s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0508E+05  1.9766E+03 -1.0646E+05  1.8800E+04 -1.2526E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0508E+05  0.0000E+00  1.0272E+04 -1.1499E+05  1.2526E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      370 -1.0496E+05  1.9554E+03 -1.0633E+05  1.8984E+04 -1.2531E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 370.000f -1.0496E+05  0.0000E+00  9.8786E+03 -1.1543E+05  1.2531E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  29.909s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0505E+05  1.9781E+03 -1.0643E+05  1.8818E+04 -1.2525E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0505E+05  0.0000E+00  1.0261E+04 -1.1499E+05  1.2525E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      380 -1.0494E+05  1.9906E+03 -1.0633E+05  1.9019E+04 -1.2535E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 380.000f -1.0494E+05  0.0000E+00  9.7915E+03 -1.1556E+05  1.2535E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  30.522s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0502E+05  1.9793E+03 -1.0641E+05  1.8846E+04 -1.2525E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0502E+05  0.0000E+00  1.0215E+04 -1.1504E+05  1.2525E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      390 -1.0499E+05  2.0142E+03 -1.0640E+05  1.9026E+04 -1.2543E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 390.000f -1.0499E+05  0.0000E+00  9.8022E+03 -1.1562E+05  1.2543E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  31.126s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0500E+05  1.9821E+03 -1.0639E+05  1.8876E+04 -1.2527E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0500E+05  0.0000E+00  1.0152E+04 -1.1511E+05  1.2527E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0495E+05  2.0202E+03 -1.0636E+05  1.9115E+04 -1.2548E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 400.000f -1.0495E+05  0.0000E+00  9.4415E+03 -1.1603E+05  1.2548E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  31.748s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0499E+05  1.9875E+03 -1.0638E+05  1.8907E+04 -1.2528E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0499E+05  0.0000E+00  1.0077E+04 -1.1521E+05  1.2528E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      410 -1.0494E+05  1.9927E+03 -1.0633E+05  1.9193E+04 -1.2552E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 410.000f -1.0494E+05  0.0000E+00  9.1140E+03 -1.1641E+05  1.2552E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  32.357s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0497E+05  1.9887E+03 -1.0636E+05  1.8948E+04 -1.2531E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0497E+05  0.0000E+00  9.9582E+03 -1.1535E+05  1.2531E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      420 -1.0494E+05  2.0037E+03 -1.0634E+05  1.9222E+04 -1.2556E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 420.000f -1.0494E+05  0.0000E+00  8.9436E+03 -1.1662E+05  1.2556E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  32.965s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0496E+05  1.9919E+03 -1.0635E+05  1.8992E+04 -1.2535E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0496E+05  0.0000E+00  9.8168E+03 -1.1553E+05  1.2535E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      430 -1.0498E+05  1.9898E+03 -1.0637E+05  1.9345E+04 -1.2572E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 430.000f -1.0498E+05  0.0000E+00  8.4899E+03 -1.1723E+05  1.2572E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  33.585s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0495E+05  1.9937E+03 -1.0635E+05  1.9040E+04 -1.2539E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0495E+05  0.0000E+00  9.6513E+03 -1.1574E+05  1.2539E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      440 -1.0497E+05  1.9751E+03 -1.0635E+05  1.9485E+04 -1.2583E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 440.000f -1.0497E+05  0.0000E+00  7.9578E+03 -1.1788E+05  1.2583E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  34.182s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0495E+05  1.9940E+03 -1.0635E+05  1.9097E+04 -1.2544E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0495E+05  0.0000E+00  9.4471E+03 -1.1600E+05  1.2544E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      450 -1.0495E+05  2.0114E+03 -1.0636E+05  1.9591E+04 -1.2595E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 450.000f -1.0495E+05  0.0000E+00  7.5692E+03 -1.1838E+05  1.2595E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  34.801s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0495E+05  1.9957E+03 -1.0635E+05  1.9164E+04 -1.2551E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0495E+05  0.0000E+00  9.2035E+03 -1.1631E+05  1.2551E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      460 -1.0497E+05  2.0337E+03 -1.0640E+05  1.9634E+04 -1.2603E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 460.000f -1.0497E+05  0.0000E+00  7.3609E+03 -1.1867E+05  1.2603E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  35.418s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0496E+05  1.9976E+03 -1.0635E+05  1.9231E+04 -1.2558E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0496E+05  0.0000E+00  8.9519E+03 -1.1663E+05  1.2558E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      470 -1.0502E+05  1.9913E+03 -1.0642E+05  1.9715E+04 -1.2613E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 470.000f -1.0502E+05  0.0000E+00  7.0390E+03 -1.1909E+05  1.2613E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  36.020s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0496E+05  1.9991E+03 -1.0636E+05  1.9301E+04 -1.2566E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0496E+05  0.0000E+00  8.6804E+03 -1.1698E+05  1.2566E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0498E+05  2.0302E+03 -1.0641E+05  1.9786E+04 -1.2619E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 480.000f -1.0498E+05  0.0000E+00  6.6851E+03 -1.1951E+05  1.2619E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  36.651s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0497E+05  2.0011E+03 -1.0637E+05  1.9376E+04 -1.2575E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0497E+05  0.0000E+00  8.3834E+03 -1.1736E+05  1.2575E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      490 -1.0499E+05  2.0123E+03 -1.0640E+05  1.9904E+04 -1.2630E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 490.000f -1.0499E+05  0.0000E+00  6.2081E+03 -1.2009E+05  1.2630E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  37.253s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0498E+05  2.0018E+03 -1.0638E+05  1.9459E+04 -1.2583E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0497E+05  0.0000E+00  8.0478E+03 -1.1779E+05  1.2583E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      500 -1.0499E+05  2.0106E+03 -1.0640E+05  1.9946E+04 -1.2635E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 500.000f -1.0499E+05  0.0000E+00  5.9829E+03 -1.2036E+05  1.2635E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  37.870s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0498E+05  2.0002E+03 -1.0638E+05  1.9546E+04 -1.2592E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0498E+05  0.0000E+00  7.6906E+03 -1.1823E+05  1.2592E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      510 -1.0500E+05  2.0211E+03 -1.0641E+05  2.0039E+04 -1.2645E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 510.000f -1.0500E+05  0.0000E+00  5.6019E+03 -1.2085E+05  1.2645E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  38.484s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0498E+05  2.0026E+03 -1.0639E+05  1.9627E+04 -1.2601E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0498E+05  0.0000E+00  7.3509E+03 -1.1866E+05  1.2601E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      520 -1.0506E+05  2.0358E+03 -1.0649E+05  2.0124E+04 -1.2661E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 520.000f -1.0506E+05  0.0000E+00  5.2747E+03 -1.2134E+05  1.2661E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  39.087s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0500E+05  2.0031E+03 -1.0640E+05  1.9717E+04 -1.2611E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0500E+05  0.0000E+00  6.9847E+03 -1.1913E+05  1.2611E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      530 -1.0505E+05  2.0480E+03 -1.0649E+05  2.0151E+04 -1.2664E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 530.000f -1.0505E+05  0.0000E+00  5.0273E+03 -1.2161E+05  1.2664E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  39.710s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0500E+05  2.0066E+03 -1.0641E+05  1.9802E+04 -1.2621E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0500E+05  0.0000E+00  6.6274E+03 -1.1958E+05  1.2621E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      540 -1.0512E+05  2.0163E+03 -1.0653E+05  2.0235E+04 -1.2676E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 540.000f -1.0512E+05  0.0000E+00  4.6677E+03 -1.2210E+05  1.2676E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  40.320s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0502E+05  2.0089E+03 -1.0642E+05  1.9879E+04 -1.2630E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0502E+05  0.0000E+00  6.2938E+03 -1.2001E+05  1.2630E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      550 -1.0517E+05  2.0157E+03 -1.0658E+05  2.0356E+04 -1.2694E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 550.000f -1.0517E+05  0.0000E+00  4.2077E+03 -1.2273E+05  1.2694E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  40.931s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0504E+05  2.0092E+03 -1.0644E+05  1.9955E+04 -1.2640E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0504E+05  0.0000E+00  5.9598E+03 -1.2044E+05  1.2640E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0513E+05  2.0230E+03 -1.0655E+05  2.0434E+04 -1.2698E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 560.000f -1.0513E+05  0.0000E+00  3.7645E+03 -1.2322E+05  1.2698E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  41.554s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0506E+05  2.0088E+03 -1.0646E+05  2.0033E+04 -1.2649E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0506E+05  0.0000E+00  5.6109E+03 -1.2088E+05  1.2649E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      570 -1.0515E+05  1.9894E+03 -1.0654E+05  2.0589E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 570.000f -1.0515E+05  0.0000E+00  3.1376E+03 -1.2399E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  42.160s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0507E+05  2.0083E+03 -1.0647E+05  2.0117E+04 -1.2659E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0507E+05  0.0000E+00  5.2344E+03 -1.2136E+05  1.2659E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      580 -1.0514E+05  2.0111E+03 -1.0655E+05  2.0692E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 580.000f -1.0514E+05  0.0000E+00  2.6883E+03 -1.2455E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  42.782s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0508E+05  2.0078E+03 -1.0649E+05  2.0207E+04 -1.2669E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0508E+05  0.0000E+00  4.8356E+03 -1.2186E+05  1.2669E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      590 -1.0515E+05  2.0000E+03 -1.0655E+05  2.0774E+04 -1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 590.000f -1.0515E+05  0.0000E+00  2.3373E+03 -1.2499E+05  1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  43.394s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0510E+05  2.0066E+03 -1.0650E+05  2.0295E+04 -1.2680E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0510E+05  0.0000E+00  4.4408E+03 -1.2235E+05  1.2680E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      600 -1.0515E+05  2.0535E+03 -1.0659E+05  2.0773E+04 -1.2736E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 600.000f -1.0515E+05  0.0000E+00  2.2462E+03 -1.2512E+05  1.2736E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  44.004s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0511E+05  2.0090E+03 -1.0652E+05  2.0380E+04 -1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0511E+05  0.0000E+00  4.0607E+03 -1.2284E+05  1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      610 -1.0521E+05  2.0378E+03 -1.0664E+05  2.0755E+04 -1.2740E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 610.000f -1.0521E+05  0.0000E+00  2.2145E+03 -1.2518E+05  1.2740E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  44.629s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0513E+05  2.0098E+03 -1.0654E+05  2.0458E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0513E+05  0.0000E+00  3.7031E+03 -1.2329E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      620 -1.0525E+05  1.9877E+03 -1.0664E+05  2.0828E+04 -1.2746E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 620.000f -1.0525E+05  0.0000E+00  1.9019E+03 -1.2556E+05  1.2746E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  45.233s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0515E+05  2.0083E+03 -1.0656E+05  2.0526E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0515E+05  0.0000E+00  3.3693E+03 -1.2371E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      630 -1.0522E+05  1.9946E+03 -1.0662E+05  2.0892E+04 -1.2751E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 630.000f -1.0522E+05  0.0000E+00  1.6228E+03 -1.2589E+05  1.2751E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  45.852s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0517E+05  2.0046E+03 -1.0657E+05  2.0600E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0517E+05  0.0000E+00  3.0274E+03 -1.2414E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0524E+05  2.0592E+03 -1.0668E+05  2.0832E+04 -1.2751E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 640.000f -1.0524E+05  0.0000E+00  1.7784E+03 -1.2573E+05  1.2751E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  46.468s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0518E+05  2.0068E+03 -1.0658E+05  2.0667E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0518E+05  0.0000E+00  2.7119E+03 -1.2454E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      650 -1.0530E+05  1.9928E+03 -1.0669E+05  2.0828E+04 -1.2752E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 650.000f -1.0530E+05  0.0000E+00  1.7594E+03 -1.2576E+05  1.2752E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  47.072s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0519E+05  2.0064E+03 -1.0660E+05  2.0719E+04 -1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0519E+05  0.0000E+00  2.4511E+03 -1.2487E+05  1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      660 -1.0528E+05  1.9954E+03 -1.0668E+05  2.0851E+04 -1.2753E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 660.000f -1.0528E+05  0.0000E+00  1.5939E+03 -1.2593E+05  1.2753E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  47.695s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0521E+05  2.0041E+03 -1.0661E+05  2.0764E+04 -1.2737E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0521E+05  0.0000E+00  2.2206E+03 -1.2515E+05  1.2737E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      670 -1.0529E+05  2.0213E+03 -1.0671E+05  2.0890E+04 -1.2760E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 670.000f -1.0529E+05  0.0000E+00  1.4009E+03 -1.2619E+05  1.2760E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  48.298s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0522E+05  2.0063E+03 -1.0663E+05  2.0799E+04 -1.2742E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0522E+05  0.0000E+00  2.0296E+03 -1.2539E+05  1.2742E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      680 -1.0532E+05  1.9983E+03 -1.0672E+05  2.0928E+04 -1.2765E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 680.000f -1.0532E+05  0.0000E+00  1.2350E+03 -1.2641E+05  1.2765E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  48.917s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0524E+05  2.0054E+03 -1.0664E+05  2.0825E+04 -1.2747E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0524E+05  0.0000E+00  1.8718E+03 -1.2560E+05  1.2747E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      690 -1.0533E+05  1.9984E+03 -1.0673E+05  2.0931E+04 -1.2766E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 690.000f -1.0533E+05  0.0000E+00  1.1732E+03 -1.2649E+05  1.2766E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  49.544s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0526E+05  2.0056E+03 -1.0666E+05  2.0844E+04 -1.2751E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0526E+05  0.0000E+00  1.7438E+03 -1.2576E+05  1.2751E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      700 -1.0532E+05  2.0117E+03 -1.0672E+05  2.0935E+04 -1.2766E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 700.000f -1.0532E+05  0.0000E+00  1.0959E+03 -1.2656E+05  1.2766E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  50.154s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0527E+05  2.0031E+03 -1.0668E+05  2.0860E+04 -1.2753E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0527E+05  0.0000E+00  1.6280E+03 -1.2591E+05  1.2753E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      710 -1.0532E+05  2.0253E+03 -1.0674E+05  2.0969E+04 -1.2771E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 710.000f -1.0532E+05  0.0000E+00  9.2139E+02 -1.2678E+05  1.2771E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  50.775s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0528E+05  2.0030E+03 -1.0669E+05  2.0878E+04 -1.2756E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0528E+05  0.0000E+00  1.5071E+03 -1.2606E+05  1.2756E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0534E+05  1.9895E+03 -1.0673E+05  2.1041E+04 -1.2778E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 720.000f -1.0534E+05  0.0000E+00  6.1369E+02 -1.2716E+05  1.2778E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  51.387s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0530E+05  2.0023E+03 -1.0670E+05  2.0901E+04 -1.2760E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0530E+05  0.0000E+00  1.3758E+03 -1.2622E+05  1.2760E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      730 -1.0530E+05  1.9947E+03 -1.0670E+05  2.1071E+04 -1.2777E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 730.000f -1.0530E+05  0.0000E+00  4.0131E+02 -1.2737E+05  1.2777E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  52.002s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0530E+05  2.0030E+03 -1.0671E+05  2.0920E+04 -1.2763E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0530E+05  0.0000E+00  1.2531E+03 -1.2637E+05  1.2763E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      740 -1.0530E+05  2.0105E+03 -1.0671E+05  2.1049E+04 -1.2776E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 740.000f -1.0530E+05  0.0000E+00  4.3384E+02 -1.2733E+05  1.2776E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  52.623s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0531E+05  2.0002E+03 -1.0671E+05  2.0939E+04 -1.2765E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0531E+05  0.0000E+00  1.1239E+03 -1.2653E+05  1.2765E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      750 -1.0533E+05  2.0037E+03 -1.0674E+05  2.1050E+04 -1.2779E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 750.000f -1.0533E+05  0.0000E+00  4.2929E+02 -1.2736E+05  1.2779E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  53.228s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0532E+05  2.0005E+03 -1.0672E+05  2.0962E+04 -1.2768E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0532E+05  0.0000E+00  9.8908E+02 -1.2669E+05  1.2768E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      760 -1.0534E+05  2.0178E+03 -1.0675E+05  2.1020E+04 -1.2777E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 760.000f -1.0534E+05  0.0000E+00  4.8532E+02 -1.2728E+05  1.2777E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  53.848s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0532E+05  2.0017E+03 -1.0672E+05  2.0982E+04 -1.2770E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0532E+05  0.0000E+00  8.6610E+02 -1.2684E+05  1.2770E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      770 -1.0536E+05  2.0006E+03 -1.0676E+05  2.1012E+04 -1.2777E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 770.000f -1.0536E+05  0.0000E+00  4.8865E+02 -1.2728E+05  1.2777E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  54.462s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0533E+05  2.0007E+03 -1.0673E+05  2.0996E+04 -1.2772E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0533E+05  0.0000E+00  7.6633E+02 -1.2696E+05  1.2772E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      780 -1.0537E+05  1.9880E+03 -1.0676E+05  2.1032E+04 -1.2780E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 780.000f -1.0537E+05  0.0000E+00  4.3132E+02 -1.2736E+05  1.2780E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  55.076s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0533E+05  2.0001E+03 -1.0673E+05  2.1007E+04 -1.2774E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0533E+05  0.0000E+00  6.8087E+02 -1.2706E+05  1.2774E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      790 -1.0537E+05  1.9987E+03 -1.0677E+05  2.0955E+04 -1.2772E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 790.000f -1.0537E+05  0.0000E+00  6.3952E+02 -1.2708E+05  1.2772E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  55.700s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  2.0000E+03 -1.0674E+05  2.1013E+04 -1.2775E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  6.1513E+02 -1.2713E+05  1.2775E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0536E+05  1.9965E+03 -1.0675E+05  2.0959E+04 -1.2771E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 800.000f -1.0536E+05  0.0000E+00  6.0695E+02 -1.2711E+05  1.2771E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  56.304s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  1.9999E+03 -1.0674E+05  2.1014E+04 -1.2775E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  5.6888E+02 -1.2719E+05  1.2775E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      810 -1.0537E+05  1.9906E+03 -1.0676E+05  2.0966E+04 -1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 810.000f -1.0537E+05  0.0000E+00  5.7873E+02 -1.2715E+05  1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  56.925s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9971E+03 -1.0674E+05  2.1017E+04 -1.2776E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  5.2293E+02 -1.2724E+05  1.2776E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      820 -1.0535E+05  2.0502E+03 -1.0678E+05  2.0900E+04 -1.2768E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 820.000f -1.0535E+05  0.0000E+00  7.6005E+02 -1.2692E+05  1.2768E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  57.549s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  2.0004E+03 -1.0675E+05  2.1009E+04 -1.2775E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  5.1537E+02 -1.2724E+05  1.2775E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      830 -1.0540E+05  1.9956E+03 -1.0679E+05  2.0886E+04 -1.2768E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 830.000f -1.0540E+05  0.0000E+00  7.9214E+02 -1.2689E+05  1.2768E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  58.156s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  2.0005E+03 -1.0675E+05  2.0992E+04 -1.2774E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  5.4602E+02 -1.2720E+05  1.2774E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      840 -1.0540E+05  2.0075E+03 -1.0680E+05  2.0924E+04 -1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 840.000f -1.0540E+05  0.0000E+00  6.3622E+02 -1.2709E+05  1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  58.782s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0536E+05  2.0008E+03 -1.0676E+05  2.0975E+04 -1.2774E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0536E+05  0.0000E+00  5.7758E+02 -1.2716E+05  1.2774E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      850 -1.0540E+05  1.9653E+03 -1.0678E+05  2.0954E+04 -1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 850.000f -1.0540E+05  0.0000E+00  4.9972E+02 -1.2723E+05  1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
  59.387s  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0537E+05  1.9990E+03 -1.0677E+05  2.0965E+04 -1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0537E+05  0.0000E+00  5.8848E+02 -1.2715E+05  1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      860 -1.0537E+05  2.0007E+03 -1.0677E+05  2.0946E+04 -1.2772E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 860.000f -1.0537E+05  0.0000E+00  5.1028E+02 -1.2721E+05  1.2772E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.000m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0537E+05  1.9975E+03 -1.0677E+05  2.0956E+04 -1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0537E+05  0.0000E+00  5.9387E+02 -1.2713E+05  1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      870 -1.0536E+05  1.9985E+03 -1.0676E+05  2.0974E+04 -1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 870.000f -1.0536E+05  0.0000E+00  3.9416E+02 -1.2734E+05  1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.010m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0538E+05  1.9977E+03 -1.0677E+05  2.0952E+04 -1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0538E+05  0.0000E+00  5.8879E+02 -1.2714E+05  1.2773E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0538E+05  1.9835E+03 -1.0677E+05  2.0932E+04 -1.2770E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 880.000f -1.0538E+05  0.0000E+00  5.3740E+02 -1.2716E+05  1.2770E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.021m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0538E+05  1.9972E+03 -1.0677E+05  2.0945E+04 -1.2772E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0538E+05  0.0000E+00  5.8892E+02 -1.2713E+05  1.2772E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      890 -1.0538E+05  2.0380E+03 -1.0681E+05  2.0866E+04 -1.2767E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 890.000f -1.0538E+05  0.0000E+00  8.0071E+02 -1.2687E+05  1.2767E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.031m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0538E+05  1.9992E+03 -1.0677E+05  2.0935E+04 -1.2771E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0538E+05  0.0000E+00  6.0396E+02 -1.2711E+05  1.2771E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      900 -1.0542E+05  1.9936E+03 -1.0681E+05  2.0849E+04 -1.2766E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 900.000f -1.0542E+05  0.0000E+00  8.9249E+02 -1.2677E+05  1.2766E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.041m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0538E+05  1.9993E+03 -1.0678E+05  2.0925E+04 -1.2770E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0538E+05  0.0000E+00  6.2305E+02 -1.2708E+05  1.2770E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      910 -1.0541E+05  2.0154E+03 -1.0682E+05  2.0761E+04 -1.2759E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 910.000f -1.0541E+05  0.0000E+00  1.1828E+03 -1.2640E+05  1.2759E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.052m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0539E+05  2.0005E+03 -1.0678E+05  2.0909E+04 -1.2769E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0538E+05  0.0000E+00  6.7046E+02 -1.2702E+05  1.2769E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      920 -1.0543E+05  1.9963E+03 -1.0683E+05  2.0731E+04 -1.2756E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 920.000f -1.0543E+05  0.0000E+00  1.3490E+03 -1.2621E+05  1.2756E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.062m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0539E+05  1.9983E+03 -1.0679E+05  2.0890E+04 -1.2768E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0539E+05  0.0000E+00  7.3248E+02 -1.2695E+05  1.2768E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      930 -1.0545E+05  1.9950E+03 -1.0685E+05  2.0685E+04 -1.2753E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 930.000f -1.0545E+05  0.0000E+00  1.5438E+03 -1.2599E+05  1.2753E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.072m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0540E+05  1.9979E+03 -1.0680E+05  2.0872E+04 -1.2767E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0540E+05  0.0000E+00  7.9822E+02 -1.2687E+05  1.2767E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      940 -1.0544E+05  2.0063E+03 -1.0684E+05  2.0606E+04 -1.2745E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 940.000f -1.0544E+05  0.0000E+00  1.7876E+03 -1.2566E+05  1.2745E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.082m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0540E+05  1.9976E+03 -1.0680E+05  2.0846E+04 -1.2765E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0540E+05  0.0000E+00  8.9314E+02 -1.2675E+05  1.2765E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      950 -1.0546E+05  1.9896E+03 -1.0685E+05  2.0594E+04 -1.2745E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 950.000f -1.0546E+05  0.0000E+00  1.8577E+03 -1.2559E+05  1.2745E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.092m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9990E+03 -1.0681E+05  2.0810E+04 -1.2762E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  1.0234E+03 -1.2659E+05  1.2762E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0545E+05  1.9794E+03 -1.0683E+05  2.0586E+04 -1.2742E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 960.000f -1.0545E+05  0.0000E+00  1.8995E+03 -1.2552E+05  1.2742E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.103m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9982E+03 -1.0681E+05  2.0775E+04 -1.2759E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  1.1596E+03 -1.2643E+05  1.2759E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      970 -1.0544E+05  1.9912E+03 -1.0683E+05  2.0572E+04 -1.2741E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 970.000f -1.0544E+05  0.0000E+00  1.9977E+03 -1.2541E+05  1.2741E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.113m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9973E+03 -1.0682E+05  2.0737E+04 -1.2756E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  1.3100E+03 -1.2625E+05  1.2756E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      980 -1.0542E+05  1.9919E+03 -1.0682E+05  2.0552E+04 -1.2737E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 980.000f -1.0542E+05  0.0000E+00  2.0997E+03 -1.2527E+05  1.2737E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.123m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9981E+03 -1.0683E+05  2.0697E+04 -1.2752E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  1.4696E+03 -1.2605E+05  1.2752E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
      990 -1.0542E+05  2.0044E+03 -1.0683E+05  2.0436E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 990.000f -1.0542E+05  0.0000E+00  2.5036E+03 -1.2476E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.133m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9968E+03 -1.0683E+05  2.0657E+04 -1.2749E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  1.6320E+03 -1.2585E+05  1.2749E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1000 -1.0541E+05  1.9667E+03 -1.0678E+05  2.0431E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.000p -1.0541E+05  0.0000E+00  2.5569E+03 -1.2466E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.144m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9947E+03 -1.0683E+05  2.0614E+04 -1.2744E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  1.8035E+03 -1.2564E+05  1.2744E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1010 -1.0540E+05  1.9672E+03 -1.0678E+05  2.0424E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.010p -1.0540E+05  0.0000E+00  2.6230E+03 -1.2458E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.156m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9928E+03 -1.0683E+05  2.0577E+04 -1.2740E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  1.9573E+03 -1.2544E+05  1.2740E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1020 -1.0538E+05  2.0097E+03 -1.0678E+05  2.0392E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.020p -1.0538E+05  0.0000E+00  2.7391E+03 -1.2444E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.167m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9927E+03 -1.0682E+05  2.0543E+04 -1.2736E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.0988E+03 -1.2526E+05  1.2736E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1030 -1.0539E+05  1.9972E+03 -1.0678E+05  2.0414E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.030p -1.0539E+05  0.0000E+00  2.6849E+03 -1.2451E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.177m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9931E+03 -1.0682E+05  2.0512E+04 -1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.2245E+03 -1.2510E+05  1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0540E+05  2.0068E+03 -1.0680E+05  2.0361E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.040p -1.0540E+05  0.0000E+00  2.8782E+03 -1.2429E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.187m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9934E+03 -1.0681E+05  2.0487E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.3361E+03 -1.2496E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1050 -1.0538E+05  1.9621E+03 -1.0675E+05  2.0394E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.050p -1.0538E+05  0.0000E+00  2.7755E+03 -1.2437E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.198m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9915E+03 -1.0680E+05  2.0465E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.4349E+03 -1.2483E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1060 -1.0536E+05  1.9856E+03 -1.0675E+05  2.0395E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.060p -1.0536E+05  0.0000E+00  2.8036E+03 -1.2434E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.208m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0540E+05  1.9920E+03 -1.0679E+05  2.0446E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0540E+05  0.0000E+00  2.5259E+03 -1.2471E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1070 -1.0537E+05  2.0052E+03 -1.0678E+05  2.0339E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.070p -1.0537E+05  0.0000E+00  3.0270E+03 -1.2409E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.218m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0539E+05  1.9930E+03 -1.0679E+05  2.0424E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0539E+05  0.0000E+00  2.6236E+03 -1.2459E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1080 -1.0538E+05  1.9610E+03 -1.0676E+05  2.0374E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.080p -1.0538E+05  0.0000E+00  2.9511E+03 -1.2418E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.228m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0539E+05  1.9913E+03 -1.0678E+05  2.0403E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0539E+05  0.0000E+00  2.7198E+03 -1.2447E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1090 -1.0534E+05  1.9954E+03 -1.0674E+05  2.0375E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.090p -1.0534E+05  0.0000E+00  2.9622E+03 -1.2415E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.238m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0538E+05  1.9904E+03 -1.0677E+05  2.0392E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0538E+05  0.0000E+00  2.7815E+03 -1.2438E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1100 -1.0533E+05  1.9975E+03 -1.0673E+05  2.0315E+04 -1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.100p -1.0533E+05  0.0000E+00  3.1604E+03 -1.2388E+05  1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.249m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0537E+05  1.9925E+03 -1.0677E+05  2.0384E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0537E+05  0.0000E+00  2.8321E+03 -1.2432E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1110 -1.0535E+05  2.0062E+03 -1.0675E+05  2.0279E+04 -1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.110p -1.0535E+05  0.0000E+00  3.3504E+03 -1.2368E+05  1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.259m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0537E+05  1.9938E+03 -1.0676E+05  2.0370E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0537E+05  0.0000E+00  2.9008E+03 -1.2423E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0536E+05  2.0246E+03 -1.0677E+05  2.0207E+04 -1.2698E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.120p -1.0536E+05  0.0000E+00  3.6280E+03 -1.2335E+05  1.2698E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.269m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0537E+05  1.9954E+03 -1.0676E+05  2.0355E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0537E+05  0.0000E+00  2.9792E+03 -1.2414E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1130 -1.0539E+05  1.9787E+03 -1.0677E+05  2.0117E+04 -1.2689E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.130p -1.0539E+05  0.0000E+00  3.9596E+03 -1.2293E+05  1.2689E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.279m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0536E+05  1.9943E+03 -1.0676E+05  2.0329E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0536E+05  0.0000E+00  3.0904E+03 -1.2400E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1140 -1.0535E+05  1.9793E+03 -1.0673E+05  2.0098E+04 -1.2683E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.140p -1.0535E+05  0.0000E+00  4.0219E+03 -1.2281E+05  1.2683E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.290m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0536E+05  1.9927E+03 -1.0676E+05  2.0301E+04 -1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0536E+05  0.0000E+00  3.2141E+03 -1.2384E+05  1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1150 -1.0534E+05  1.9958E+03 -1.0674E+05  2.0137E+04 -1.2687E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.150p -1.0534E+05  0.0000E+00  3.9253E+03 -1.2295E+05  1.2687E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.300m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0536E+05  1.9943E+03 -1.0675E+05  2.0275E+04 -1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0536E+05  0.0000E+00  3.3276E+03 -1.2370E+05  1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1160 -1.0534E+05  2.0081E+03 -1.0675E+05  2.0178E+04 -1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.160p -1.0534E+05  0.0000E+00  3.8217E+03 -1.2310E+05  1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.310m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9957E+03 -1.0675E+05  2.0251E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.4370E+03 -1.2357E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1170 -1.0534E+05  1.9934E+03 -1.0673E+05  2.0199E+04 -1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.170p -1.0534E+05  0.0000E+00  3.7465E+03 -1.2319E+05  1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.320m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9950E+03 -1.0675E+05  2.0234E+04 -1.2698E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.5204E+03 -1.2346E+05  1.2698E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1180 -1.0536E+05  1.9755E+03 -1.0674E+05  2.0169E+04 -1.2691E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.180p -1.0536E+05  0.0000E+00  3.8481E+03 -1.2306E+05  1.2691E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.331m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9957E+03 -1.0675E+05  2.0217E+04 -1.2696E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.5997E+03 -1.2336E+05  1.2696E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1190 -1.0534E+05  1.9886E+03 -1.0673E+05  2.0165E+04 -1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.190p -1.0534E+05  0.0000E+00  3.8769E+03 -1.2302E+05  1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.341m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9956E+03 -1.0675E+05  2.0195E+04 -1.2694E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.6951E+03 -1.2325E+05  1.2694E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0531E+05  1.9830E+03 -1.0670E+05  2.0203E+04 -1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.200p -1.0531E+05  0.0000E+00  3.7516E+03 -1.2315E+05  1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.351m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9945E+03 -1.0674E+05  2.0180E+04 -1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.7681E+03 -1.2316E+05  1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1210 -1.0534E+05  2.0141E+03 -1.0674E+05  2.0175E+04 -1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.210p -1.0534E+05  0.0000E+00  3.8804E+03 -1.2304E+05  1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.362m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9954E+03 -1.0674E+05  2.0169E+04 -1.2691E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.8223E+03 -1.2309E+05  1.2691E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1220 -1.0533E+05  1.9878E+03 -1.0672E+05  2.0169E+04 -1.2689E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.220p -1.0533E+05  0.0000E+00  3.8812E+03 -1.2301E+05  1.2689E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.372m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  1.9932E+03 -1.0674E+05  2.0162E+04 -1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  3.8627E+03 -1.2304E+05  1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1230 -1.0533E+05  2.0033E+03 -1.0673E+05  2.0195E+04 -1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.230p -1.0533E+05  0.0000E+00  3.8163E+03 -1.2311E+05  1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.382m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  1.9945E+03 -1.0673E+05  2.0164E+04 -1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  3.8669E+03 -1.2303E+05  1.2690E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1240 -1.0535E+05  2.0119E+03 -1.0676E+05  2.0177E+04 -1.2694E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.240p -1.0535E+05  0.0000E+00  3.8773E+03 -1.2306E+05  1.2694E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.392m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  1.9957E+03 -1.0673E+05  2.0174E+04 -1.2691E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  3.8462E+03 -1.2306E+05  1.2691E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1250 -1.0536E+05  1.9858E+03 -1.0675E+05  2.0179E+04 -1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.250p -1.0536E+05  0.0000E+00  3.8696E+03 -1.2306E+05  1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.403m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  1.9959E+03 -1.0673E+05  2.0179E+04 -1.2691E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  3.8385E+03 -1.2308E+05  1.2691E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1260 -1.0537E+05  2.0342E+03 -1.0679E+05  2.0158E+04 -1.2695E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.260p -1.0537E+05  0.0000E+00  3.9743E+03 -1.2297E+05  1.2695E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.413m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  1.9965E+03 -1.0674E+05  2.0181E+04 -1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  3.8430E+03 -1.2308E+05  1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1270 -1.0538E+05  1.9998E+03 -1.0678E+05  2.0156E+04 -1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.270p -1.0538E+05  0.0000E+00  3.9604E+03 -1.2297E+05  1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.423m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0534E+05  1.9972E+03 -1.0674E+05  2.0177E+04 -1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0534E+05  0.0000E+00  3.8637E+03 -1.2306E+05  1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0539E+05  1.9588E+03 -1.0676E+05  2.0199E+04 -1.2696E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.280p -1.0539E+05  0.0000E+00  3.7901E+03 -1.2317E+05  1.2696E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.433m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9968E+03 -1.0675E+05  2.0175E+04 -1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.8737E+03 -1.2305E+05  1.2692E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1290 -1.0534E+05  1.9838E+03 -1.0673E+05  2.0272E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.290p -1.0534E+05  0.0000E+00  3.4915E+03 -1.2351E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.444m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9957E+03 -1.0674E+05  2.0184E+04 -1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.8451E+03 -1.2308E+05  1.2693E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1300 -1.0531E+05  2.0361E+03 -1.0674E+05  2.0275E+04 -1.2701E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.300p -1.0531E+05  0.0000E+00  3.4420E+03 -1.2357E+05  1.2701E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.454m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9992E+03 -1.0675E+05  2.0192E+04 -1.2694E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.8121E+03 -1.2313E+05  1.2694E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1310 -1.0535E+05  1.9921E+03 -1.0674E+05  2.0288E+04 -1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.310p -1.0535E+05  0.0000E+00  3.3945E+03 -1.2363E+05  1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.464m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9978E+03 -1.0675E+05  2.0201E+04 -1.2695E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.7720E+03 -1.2318E+05  1.2695E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1320 -1.0533E+05  1.9792E+03 -1.0671E+05  2.0309E+04 -1.2702E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.320p -1.0533E+05  0.0000E+00  3.2853E+03 -1.2374E+05  1.2702E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.474m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9973E+03 -1.0675E+05  2.0215E+04 -1.2696E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.7153E+03 -1.2325E+05  1.2696E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1330 -1.0534E+05  2.0081E+03 -1.0674E+05  2.0260E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.330p -1.0534E+05  0.0000E+00  3.4196E+03 -1.2358E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.485m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9973E+03 -1.0675E+05  2.0226E+04 -1.2697E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.6643E+03 -1.2331E+05  1.2697E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1340 -1.0536E+05  2.0185E+03 -1.0677E+05  2.0230E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.340p -1.0536E+05  0.0000E+00  3.5089E+03 -1.2349E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.495m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9981E+03 -1.0675E+05  2.0230E+04 -1.2698E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.6315E+03 -1.2335E+05  1.2698E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1350 -1.0537E+05  2.0138E+03 -1.0678E+05  2.0260E+04 -1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.350p -1.0537E+05  0.0000E+00  3.4005E+03 -1.2364E+05  1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.505m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9992E+03 -1.0675E+05  2.0237E+04 -1.2699E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.5874E+03 -1.2340E+05  1.2699E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0537E+05  1.9856E+03 -1.0676E+05  2.0324E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.360p -1.0537E+05  0.0000E+00  3.1613E+03 -1.2393E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.516m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9972E+03 -1.0675E+05  2.0249E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.5233E+03 -1.2348E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1370 -1.0537E+05  2.0104E+03 -1.0678E+05  2.0357E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.370p -1.0537E+05  0.0000E+00  3.0049E+03 -1.2413E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.526m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9971E+03 -1.0675E+05  2.0268E+04 -1.2702E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.4318E+03 -1.2359E+05  1.2702E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1380 -1.0540E+05  1.9914E+03 -1.0679E+05  2.0396E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.380p -1.0540E+05  0.0000E+00  2.8394E+03 -1.2435E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.536m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0535E+05  1.9989E+03 -1.0675E+05  2.0288E+04 -1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0535E+05  0.0000E+00  3.3363E+03 -1.2371E+05  1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1390 -1.0539E+05  1.9944E+03 -1.0679E+05  2.0401E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.390p -1.0539E+05  0.0000E+00  2.7968E+03 -1.2439E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.546m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0536E+05  1.9998E+03 -1.0676E+05  2.0305E+04 -1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0536E+05  0.0000E+00  3.2525E+03 -1.2381E+05  1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1400 -1.0538E+05  2.0223E+03 -1.0679E+05  2.0326E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.400p -1.0538E+05  0.0000E+00  3.0090E+03 -1.2411E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.557m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0536E+05  1.9987E+03 -1.0676E+05  2.0313E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0536E+05  0.0000E+00  3.2004E+03 -1.2388E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1410 -1.0540E+05  1.9862E+03 -1.0679E+05  2.0422E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.410p -1.0540E+05  0.0000E+00  2.6901E+03 -1.2452E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.567m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0537E+05  1.9986E+03 -1.0677E+05  2.0322E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0537E+05  0.0000E+00  3.1461E+03 -1.2394E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1420 -1.0537E+05  2.0046E+03 -1.0678E+05  2.0461E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.420p -1.0537E+05  0.0000E+00  2.5035E+03 -1.2473E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.577m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0537E+05  1.9999E+03 -1.0677E+05  2.0337E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0537E+05  0.0000E+00  3.0685E+03 -1.2404E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1430 -1.0540E+05  1.9954E+03 -1.0679E+05  2.0468E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.430p -1.0540E+05  0.0000E+00  2.4679E+03 -1.2479E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.587m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0538E+05  1.9995E+03 -1.0678E+05  2.0354E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0538E+05  0.0000E+00  2.9836E+03 -1.2415E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0538E+05  2.0156E+03 -1.0679E+05  2.0486E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.440p -1.0538E+05  0.0000E+00  2.3856E+03 -1.2489E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.598m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0538E+05  1.9990E+03 -1.0678E+05  2.0379E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0538E+05  0.0000E+00  2.8757E+03 -1.2429E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1450 -1.0540E+05  2.0048E+03 -1.0681E+05  2.0490E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.450p -1.0540E+05  0.0000E+00  2.3784E+03 -1.2492E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.608m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0539E+05  1.9986E+03 -1.0679E+05  2.0403E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0539E+05  0.0000E+00  2.7685E+03 -1.2442E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1460 -1.0544E+05  1.9719E+03 -1.0682E+05  2.0493E+04 -1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.460p -1.0544E+05  0.0000E+00  2.3850E+03 -1.2493E+05  1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.618m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0539E+05  1.9981E+03 -1.0679E+05  2.0423E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0539E+05  0.0000E+00  2.6800E+03 -1.2453E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1470 -1.0542E+05  2.0046E+03 -1.0682E+05  2.0472E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.470p -1.0542E+05  0.0000E+00  2.4273E+03 -1.2487E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.628m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0540E+05  1.9977E+03 -1.0680E+05  2.0437E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0540E+05  0.0000E+00  2.6144E+03 -1.2462E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1480 -1.0541E+05  1.9915E+03 -1.0680E+05  2.0490E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.480p -1.0541E+05  0.0000E+00  2.3152E+03 -1.2497E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.639m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0540E+05  1.9974E+03 -1.0680E+05  2.0447E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0540E+05  0.0000E+00  2.5600E+03 -1.2469E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1490 -1.0541E+05  2.0306E+03 -1.0683E+05  2.0498E+04 -1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.490p -1.0541E+05  0.0000E+00  2.2574E+03 -1.2507E+05  1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.649m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0540E+05  1.9998E+03 -1.0680E+05  2.0456E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0540E+05  0.0000E+00  2.5107E+03 -1.2475E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1500 -1.0542E+05  1.9580E+03 -1.0679E+05  2.0522E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.500p -1.0542E+05  0.0000E+00  2.1679E+03 -1.2514E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.659m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9960E+03 -1.0680E+05  2.0472E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.4363E+03 -1.2484E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1510 -1.0541E+05  1.9920E+03 -1.0681E+05  2.0521E+04 -1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.510p -1.0541E+05  0.0000E+00  2.2113E+03 -1.2512E+05  1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.670m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9966E+03 -1.0680E+05  2.0487E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.3697E+03 -1.2492E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0539E+05  2.0117E+03 -1.0680E+05  2.0495E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.520p -1.0539E+05  0.0000E+00  2.2654E+03 -1.2503E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.680m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9965E+03 -1.0681E+05  2.0492E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.3384E+03 -1.2496E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1530 -1.0541E+05  1.9910E+03 -1.0681E+05  2.0509E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.530p -1.0541E+05  0.0000E+00  2.2102E+03 -1.2510E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.690m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9966E+03 -1.0681E+05  2.0496E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.3144E+03 -1.2499E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1540 -1.0539E+05  2.0038E+03 -1.0680E+05  2.0514E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.540p -1.0539E+05  0.0000E+00  2.1757E+03 -1.2514E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.701m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9958E+03 -1.0681E+05  2.0500E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.2899E+03 -1.2502E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1550 -1.0541E+05  2.0014E+03 -1.0681E+05  2.0492E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.550p -1.0541E+05  0.0000E+00  2.2630E+03 -1.2504E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.711m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9957E+03 -1.0681E+05  2.0501E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.2743E+03 -1.2504E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1560 -1.0542E+05  2.0156E+03 -1.0683E+05  2.0453E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.560p -1.0542E+05  0.0000E+00  2.3863E+03 -1.2489E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.721m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9979E+03 -1.0681E+05  2.0499E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.2699E+03 -1.2504E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1570 -1.0543E+05  1.9929E+03 -1.0682E+05  2.0498E+04 -1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.570p -1.0543E+05  0.0000E+00  2.2491E+03 -1.2507E+05  1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.731m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9970E+03 -1.0681E+05  2.0498E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.2606E+03 -1.2505E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1580 -1.0543E+05  2.0106E+03 -1.0684E+05  2.0508E+04 -1.2735E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.580p -1.0543E+05  0.0000E+00  2.2368E+03 -1.2511E+05  1.2735E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.742m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9988E+03 -1.0681E+05  2.0501E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.2455E+03 -1.2507E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1590 -1.0543E+05  1.9796E+03 -1.0681E+05  2.0476E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.590p -1.0543E+05  0.0000E+00  2.3043E+03 -1.2498E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.752m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9957E+03 -1.0681E+05  2.0500E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.2443E+03 -1.2507E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0541E+05  1.9885E+03 -1.0680E+05  2.0484E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.600p -1.0541E+05  0.0000E+00  2.2591E+03 -1.2503E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.762m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9974E+03 -1.0681E+05  2.0496E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.2544E+03 -1.2506E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1610 -1.0541E+05  2.0007E+03 -1.0681E+05  2.0479E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.610p -1.0541E+05  0.0000E+00  2.2670E+03 -1.2502E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.772m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0541E+05  1.9976E+03 -1.0681E+05  2.0493E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0541E+05  0.0000E+00  2.2579E+03 -1.2505E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1620 -1.0543E+05  2.0161E+03 -1.0684E+05  2.0414E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.620p -1.0543E+05  0.0000E+00  2.4831E+03 -1.2477E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.783m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9983E+03 -1.0681E+05  2.0486E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.2728E+03 -1.2503E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1630 -1.0544E+05  2.0074E+03 -1.0684E+05  2.0373E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.630p -1.0544E+05  0.0000E+00  2.6189E+03 -1.2460E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.793m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9989E+03 -1.0682E+05  2.0476E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.3034E+03 -1.2499E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1640 -1.0543E+05  1.9651E+03 -1.0681E+05  2.0362E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.640p -1.0543E+05  0.0000E+00  2.6593E+03 -1.2451E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.803m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9972E+03 -1.0682E+05  2.0461E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.3511E+03 -1.2493E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1650 -1.0540E+05  2.0108E+03 -1.0681E+05  2.0340E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.650p -1.0540E+05  0.0000E+00  2.7143E+03 -1.2443E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.813m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9974E+03 -1.0682E+05  2.0445E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.3983E+03 -1.2487E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1660 -1.0541E+05  2.0200E+03 -1.0683E+05  2.0353E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.660p -1.0541E+05  0.0000E+00  2.6652E+03 -1.2451E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.823m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9973E+03 -1.0682E+05  2.0433E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.4344E+03 -1.2482E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1670 -1.0545E+05  1.9987E+03 -1.0684E+05  2.0447E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.670p -1.0545E+05  0.0000E+00  2.3868E+03 -1.2490E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.834m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9984E+03 -1.0682E+05  2.0425E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.4546E+03 -1.2479E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0545E+05  2.0206E+03 -1.0687E+05  2.0460E+04 -1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.680p -1.0545E+05  0.0000E+00  2.3279E+03 -1.2500E+05  1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.844m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9984E+03 -1.0682E+05  2.0420E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.4660E+03 -1.2478E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1690 -1.0548E+05  1.9732E+03 -1.0686E+05  2.0513E+04 -1.2737E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.690p -1.0548E+05  0.0000E+00  2.1584E+03 -1.2522E+05  1.2737E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.854m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9978E+03 -1.0683E+05  2.0421E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.4616E+03 -1.2479E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1700 -1.0546E+05  1.9839E+03 -1.0685E+05  2.0505E+04 -1.2736E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.700p -1.0546E+05  0.0000E+00  2.1644E+03 -1.2519E+05  1.2736E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.865m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9981E+03 -1.0683E+05  2.0424E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.4482E+03 -1.2481E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1710 -1.0545E+05  1.9962E+03 -1.0685E+05  2.0512E+04 -1.2736E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.710p -1.0545E+05  0.0000E+00  2.1569E+03 -1.2520E+05  1.2736E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.875m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9977E+03 -1.0684E+05  2.0426E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.4401E+03 -1.2482E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1720 -1.0545E+05  1.9893E+03 -1.0685E+05  2.0456E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.720p -1.0545E+05  0.0000E+00  2.3694E+03 -1.2493E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.885m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9959E+03 -1.0684E+05  2.0431E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.4253E+03 -1.2485E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1730 -1.0546E+05  2.0223E+03 -1.0687E+05  2.0375E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.730p -1.0546E+05  0.0000E+00  2.6569E+03 -1.2459E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.895m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9969E+03 -1.0684E+05  2.0432E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.4245E+03 -1.2485E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1740 -1.0547E+05  1.9786E+03 -1.0686E+05  2.0357E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.740p -1.0547E+05  0.0000E+00  2.7244E+03 -1.2449E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.906m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0545E+05  1.9980E+03 -1.0685E+05  2.0432E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.4293E+03 -1.2485E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1750 -1.0546E+05  1.9993E+03 -1.0686E+05  2.0323E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.750p -1.0546E+05  0.0000E+00  2.8417E+03 -1.2434E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.916m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0545E+05  1.9970E+03 -1.0685E+05  2.0431E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.4382E+03 -1.2484E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0547E+05  1.9815E+03 -1.0685E+05  2.0330E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.760p -1.0546E+05  0.0000E+00  2.8448E+03 -1.2434E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.926m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0546E+05  1.9955E+03 -1.0685E+05  2.0429E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0546E+05  0.0000E+00  2.4534E+03 -1.2483E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1770 -1.0545E+05  2.0113E+03 -1.0686E+05  2.0305E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.770p -1.0545E+05  0.0000E+00  2.9364E+03 -1.2423E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.936m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0546E+05  1.9958E+03 -1.0686E+05  2.0420E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0546E+05  0.0000E+00  2.4916E+03 -1.2479E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1780 -1.0547E+05  1.9696E+03 -1.0685E+05  2.0320E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.780p -1.0547E+05  0.0000E+00  2.9055E+03 -1.2426E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.947m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0546E+05  1.9930E+03 -1.0686E+05  2.0406E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0546E+05  0.0000E+00  2.5478E+03 -1.2471E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1790 -1.0544E+05  2.0105E+03 -1.0684E+05  2.0284E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.790p -1.0544E+05  0.0000E+00  2.9923E+03 -1.2414E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.957m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0546E+05  1.9953E+03 -1.0685E+05  2.0387E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0546E+05  0.0000E+00  2.6211E+03 -1.2462E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1800 -1.0545E+05  1.9645E+03 -1.0682E+05  2.0327E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.800p -1.0545E+05  0.0000E+00  2.8542E+03 -1.2429E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.967m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0546E+05  1.9941E+03 -1.0685E+05  2.0366E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0546E+05  0.0000E+00  2.6980E+03 -1.2452E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1810 -1.0542E+05  2.0024E+03 -1.0682E+05  2.0308E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.810p -1.0542E+05  0.0000E+00  2.9266E+03 -1.2420E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.977m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0545E+05  1.9944E+03 -1.0685E+05  2.0348E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.7693E+03 -1.2443E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1820 -1.0543E+05  2.0012E+03 -1.0683E+05  2.0231E+04 -1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.820p -1.0543E+05  0.0000E+00  3.2071E+03 -1.2385E+05  1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.988m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0545E+05  1.9950E+03 -1.0685E+05  2.0326E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.8525E+03 -1.2432E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1830 -1.0543E+05  2.0029E+03 -1.0683E+05  2.0194E+04 -1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.830p -1.0543E+05  0.0000E+00  3.3507E+03 -1.2368E+05  1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.998m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0545E+05  1.9946E+03 -1.0684E+05  2.0306E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.9296E+03 -1.2422E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0545E+05  1.9859E+03 -1.0684E+05  2.0262E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.840p -1.0545E+05  0.0000E+00  3.1347E+03 -1.2397E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.008m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0545E+05  1.9937E+03 -1.0684E+05  2.0292E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.9845E+03 -1.2415E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1850 -1.0544E+05  2.0153E+03 -1.0685E+05  2.0315E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.850p -1.0544E+05  0.0000E+00  2.9704E+03 -1.2419E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.018m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9957E+03 -1.0684E+05  2.0288E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0080E+03 -1.2412E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1860 -1.0544E+05  1.9790E+03 -1.0683E+05  2.0285E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.860p -1.0544E+05  0.0000E+00  3.0309E+03 -1.2408E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.029m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9949E+03 -1.0684E+05  2.0285E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0224E+03 -1.2410E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1870 -1.0543E+05  1.9880E+03 -1.0683E+05  2.0320E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.870p -1.0543E+05  0.0000E+00  2.9114E+03 -1.2423E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.039m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9940E+03 -1.0684E+05  2.0283E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0314E+03 -1.2409E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1880 -1.0542E+05  2.0244E+03 -1.0684E+05  2.0300E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.880p -1.0542E+05  0.0000E+00  2.9432E+03 -1.2420E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.049m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9967E+03 -1.0683E+05  2.0284E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0304E+03 -1.2409E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1890 -1.0543E+05  1.9808E+03 -1.0682E+05  2.0331E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.890p -1.0543E+05  0.0000E+00  2.8026E+03 -1.2435E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.059m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9951E+03 -1.0683E+05  2.0285E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0240E+03 -1.2409E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1900 -1.0545E+05  2.0056E+03 -1.0685E+05  2.0385E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.900p -1.0545E+05  0.0000E+00  2.6618E+03 -1.2458E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.070m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9972E+03 -1.0683E+05  2.0291E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  3.0016E+03 -1.2412E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1910 -1.0546E+05  1.9897E+03 -1.0685E+05  2.0366E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.910p -1.0546E+05  0.0000E+00  2.7211E+03 -1.2450E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.080m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9965E+03 -1.0684E+05  2.0296E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.9831E+03 -1.2415E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0546E+05  1.9779E+03 -1.0684E+05  2.0367E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.920p -1.0546E+05  0.0000E+00  2.7422E+03 -1.2447E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.090m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9960E+03 -1.0684E+05  2.0305E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.9513E+03 -1.2419E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1930 -1.0544E+05  1.9907E+03 -1.0683E+05  2.0323E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.930p -1.0544E+05  0.0000E+00  2.8557E+03 -1.2430E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.101m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9943E+03 -1.0684E+05  2.0321E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.8974E+03 -1.2426E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1940 -1.0542E+05  2.0086E+03 -1.0682E+05  2.0246E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.940p -1.0542E+05  0.0000E+00  3.0620E+03 -1.2401E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.111m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9960E+03 -1.0684E+05  2.0326E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.8707E+03 -1.2429E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1950 -1.0543E+05  1.9953E+03 -1.0683E+05  2.0297E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.950p -1.0543E+05  0.0000E+00  2.9350E+03 -1.2419E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.121m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9950E+03 -1.0684E+05  2.0322E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.8718E+03 -1.2429E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1960 -1.0542E+05  2.0011E+03 -1.0682E+05  2.0303E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.960p -1.0542E+05  0.0000E+00  2.9372E+03 -1.2418E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.131m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9961E+03 -1.0684E+05  2.0323E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.8617E+03 -1.2430E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1970 -1.0542E+05  2.0176E+03 -1.0684E+05  2.0260E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.970p -1.0542E+05  0.0000E+00  3.1164E+03 -1.2398E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.142m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9975E+03 -1.0684E+05  2.0321E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.8677E+03 -1.2429E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1980 -1.0545E+05  2.0077E+03 -1.0686E+05  2.0222E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.980p -1.0545E+05  0.0000E+00  3.2589E+03 -1.2382E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.152m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9965E+03 -1.0684E+05  2.0314E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.8958E+03 -1.2425E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     1990 -1.0547E+05  1.9921E+03 -1.0686E+05  2.0231E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   1.990p -1.0547E+05  0.0000E+00  3.2541E+03 -1.2384E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.162m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9980E+03 -1.0684E+05  2.0305E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.9355E+03 -1.2421E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0545E+05  1.9565E+03 -1.0681E+05  2.0269E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.000p -1.0544E+05  0.0000E+00  3.1037E+03 -1.2398E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.172m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9944E+03 -1.0684E+05  2.0294E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.9795E+03 -1.2415E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------


 switching off temperature scaling at step   2000


 ------------------------------------------------------------------------------------------------------------------------
     2010 -1.0542E+05  2.0074E+03 -1.0682E+05  2.0265E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.010p -1.0541E+05  0.0000E+00  3.1119E+03 -1.2397E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.186m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9962E+03 -1.0684E+05  2.0282E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0226E+03 -1.2410E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2020 -1.0542E+05  1.9751E+03 -1.0680E+05  2.0282E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.020p -1.0542E+05  0.0000E+00  3.0483E+03 -1.2403E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.196m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9959E+03 -1.0683E+05  2.0274E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  3.0545E+03 -1.2405E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2030 -1.0544E+05  1.9902E+03 -1.0683E+05  2.0269E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.030p -1.0544E+05  0.0000E+00  3.1139E+03 -1.2399E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.206m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9950E+03 -1.0683E+05  2.0266E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  3.0839E+03 -1.2401E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2040 -1.0542E+05  2.0279E+03 -1.0684E+05  2.0235E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.040p -1.0542E+05  0.0000E+00  3.2286E+03 -1.2385E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.217m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9959E+03 -1.0683E+05  2.0264E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  3.1027E+03 -1.2399E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2050 -1.0542E+05  2.0273E+03 -1.0683E+05  2.0195E+04 -1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.050p -1.0542E+05  0.0000E+00  3.3470E+03 -1.2368E+05  1.2703E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.227m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9993E+03 -1.0683E+05  2.0259E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  3.1299E+03 -1.2396E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2060 -1.0542E+05  2.0089E+03 -1.0682E+05  2.0171E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.060p -1.0542E+05  0.0000E+00  3.4139E+03 -1.2358E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.237m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0012E+03 -1.0683E+05  2.0245E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  3.1790E+03 -1.2390E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2070 -1.0541E+05  2.0131E+03 -1.0682E+05  2.0188E+04 -1.2701E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.070p -1.0541E+05  0.0000E+00  3.3476E+03 -1.2366E+05  1.2701E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.247m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0016E+03 -1.0683E+05  2.0235E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  3.2135E+03 -1.2385E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0099E+03 -1.0683E+05  2.0260E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.080p -1.0543E+05  0.0000E+00  3.1023E+03 -1.2399E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.258m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0026E+03 -1.0683E+05  2.0234E+04 -1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  3.2173E+03 -1.2384E+05  1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2090 -1.0543E+05  1.9928E+03 -1.0682E+05  2.0344E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.090p -1.0543E+05  0.0000E+00  2.7881E+03 -1.2438E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.268m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0027E+03 -1.0682E+05  2.0243E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  3.1807E+03 -1.2389E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2100 -1.0542E+05  2.0110E+03 -1.0683E+05  2.0339E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.100p -1.0542E+05  0.0000E+00  2.7691E+03 -1.2440E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.278m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0060E+03 -1.0682E+05  2.0251E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  3.1419E+03 -1.2393E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2110 -1.0542E+05  2.0203E+03 -1.0683E+05  2.0355E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.110p -1.0542E+05  0.0000E+00  2.7265E+03 -1.2446E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.288m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0066E+03 -1.0682E+05  2.0260E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  3.1043E+03 -1.2398E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2120 -1.0542E+05  2.0224E+03 -1.0683E+05  2.0325E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.120p -1.0542E+05  0.0000E+00  2.8197E+03 -1.2434E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.299m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0106E+03 -1.0683E+05  2.0267E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  3.0748E+03 -1.2402E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2130 -1.0542E+05  1.9925E+03 -1.0681E+05  2.0307E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.130p -1.0542E+05  0.0000E+00  2.8731E+03 -1.2425E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.309m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0124E+03 -1.0683E+05  2.0270E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  3.0512E+03 -1.2405E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2140 -1.0542E+05  2.0382E+03 -1.0685E+05  2.0267E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.140p -1.0542E+05  0.0000E+00  3.0299E+03 -1.2409E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.319m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0136E+03 -1.0683E+05  2.0274E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  3.0308E+03 -1.2407E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2150 -1.0543E+05  2.0128E+03 -1.0684E+05  2.0229E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.150p -1.0543E+05  0.0000E+00  3.1471E+03 -1.2393E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.329m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0123E+03 -1.0683E+05  2.0277E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  3.0103E+03 -1.2410E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0528E+03 -1.0687E+05  2.0218E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.160p -1.0543E+05  0.0000E+00  3.1901E+03 -1.2389E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.340m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0146E+03 -1.0683E+05  2.0281E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.9911E+03 -1.2412E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2170 -1.0543E+05  2.0363E+03 -1.0686E+05  2.0281E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.170p -1.0543E+05  0.0000E+00  2.9797E+03 -1.2416E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.350m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0178E+03 -1.0684E+05  2.0288E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.9600E+03 -1.2416E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2180 -1.0543E+05  2.0452E+03 -1.0686E+05  2.0350E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.180p -1.0543E+05  0.0000E+00  2.7273E+03 -1.2448E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.360m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0207E+03 -1.0684E+05  2.0297E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.9221E+03 -1.2421E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2190 -1.0542E+05  2.0354E+03 -1.0684E+05  2.0448E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.190p -1.0542E+05  0.0000E+00  2.3782E+03 -1.2491E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.371m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0248E+03 -1.0684E+05  2.0307E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.8837E+03 -1.2427E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2200 -1.0541E+05  2.0112E+03 -1.0682E+05  2.0482E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.200p -1.0541E+05  0.0000E+00  2.2162E+03 -1.2509E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.381m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0270E+03 -1.0684E+05  2.0320E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.8341E+03 -1.2433E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2210 -1.0543E+05  1.9902E+03 -1.0682E+05  2.0445E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.210p -1.0543E+05  0.0000E+00  2.3350E+03 -1.2493E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.391m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0251E+03 -1.0684E+05  2.0332E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.7864E+03 -1.2439E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2220 -1.0542E+05  2.0261E+03 -1.0684E+05  2.0393E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.220p -1.0542E+05  0.0000E+00  2.5240E+03 -1.2471E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.402m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0233E+03 -1.0684E+05  2.0339E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.7532E+03 -1.2443E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2230 -1.0542E+05  2.0171E+03 -1.0684E+05  2.0361E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.230p -1.0542E+05  0.0000E+00  2.6308E+03 -1.2457E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.412m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0259E+03 -1.0684E+05  2.0345E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.7294E+03 -1.2446E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0249E+03 -1.0685E+05  2.0341E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.240p -1.0543E+05  0.0000E+00  2.7045E+03 -1.2448E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.422m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0254E+03 -1.0684E+05  2.0352E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.6979E+03 -1.2450E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2250 -1.0542E+05  2.0257E+03 -1.0684E+05  2.0305E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.250p -1.0542E+05  0.0000E+00  2.7939E+03 -1.2435E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.432m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0262E+03 -1.0684E+05  2.0359E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.6658E+03 -1.2454E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2260 -1.0543E+05  2.0395E+03 -1.0686E+05  2.0307E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.260p -1.0543E+05  0.0000E+00  2.7661E+03 -1.2440E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.442m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0258E+03 -1.0684E+05  2.0367E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.6241E+03 -1.2459E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2270 -1.0541E+05  2.0373E+03 -1.0684E+05  2.0320E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.270p -1.0542E+05  0.0000E+00  2.6854E+03 -1.2448E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.453m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0251E+03 -1.0684E+05  2.0374E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.5872E+03 -1.2463E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2280 -1.0543E+05  2.0121E+03 -1.0684E+05  2.0371E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.280p -1.0543E+05  0.0000E+00  2.5354E+03 -1.2468E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.463m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0236E+03 -1.0684E+05  2.0376E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.5650E+03 -1.2465E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2290 -1.0542E+05  2.0357E+03 -1.0685E+05  2.0419E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.290p -1.0542E+05  0.0000E+00  2.3711E+03 -1.2490E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.473m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0215E+03 -1.0684E+05  2.0376E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0542E+05  0.0000E+00  2.5548E+03 -1.2466E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2300 -1.0542E+05  2.0129E+03 -1.0684E+05  2.0422E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.300p -1.0543E+05  0.0000E+00  2.3153E+03 -1.2494E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.483m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0222E+03 -1.0684E+05  2.0371E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5633E+03 -1.2465E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2310 -1.0543E+05  2.0078E+03 -1.0684E+05  2.0415E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.310p -1.0544E+05  0.0000E+00  2.3624E+03 -1.2490E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.494m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0229E+03 -1.0684E+05  2.0367E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5680E+03 -1.2464E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0266E+03 -1.0685E+05  2.0343E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.320p -1.0543E+05  0.0000E+00  2.6015E+03 -1.2459E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.504m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0243E+03 -1.0684E+05  2.0363E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5740E+03 -1.2463E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2330 -1.0543E+05  2.0165E+03 -1.0685E+05  2.0324E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.330p -1.0544E+05  0.0000E+00  2.6578E+03 -1.2451E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.514m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0237E+03 -1.0684E+05  2.0358E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5793E+03 -1.2462E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2340 -1.0542E+05  2.0279E+03 -1.0684E+05  2.0380E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.340p -1.0542E+05  0.0000E+00  2.4890E+03 -1.2473E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.524m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0243E+03 -1.0685E+05  2.0358E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5708E+03 -1.2463E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2350 -1.0543E+05  2.0062E+03 -1.0684E+05  2.0394E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.350p -1.0544E+05  0.0000E+00  2.4373E+03 -1.2480E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.534m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0233E+03 -1.0685E+05  2.0366E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5392E+03 -1.2467E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2360 -1.0543E+05  2.0161E+03 -1.0685E+05  2.0369E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.360p -1.0544E+05  0.0000E+00  2.5294E+03 -1.2469E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.545m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0209E+03 -1.0685E+05  2.0374E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5070E+03 -1.2471E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2370 -1.0543E+05  2.0012E+03 -1.0684E+05  2.0318E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.370p -1.0544E+05  0.0000E+00  2.6990E+03 -1.2446E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.555m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0178E+03 -1.0684E+05  2.0376E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.4998E+03 -1.2472E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2380 -1.0542E+05  2.0192E+03 -1.0684E+05  2.0312E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.380p -1.0542E+05  0.0000E+00  2.7249E+03 -1.2443E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.565m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0170E+03 -1.0684E+05  2.0373E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5095E+03 -1.2471E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2390 -1.0543E+05  2.0284E+03 -1.0686E+05  2.0259E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.390p -1.0544E+05  0.0000E+00  2.9207E+03 -1.2420E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.575m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0161E+03 -1.0684E+05  2.0362E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.5456E+03 -1.2466E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0385E+03 -1.0686E+05  2.0217E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.400p -1.0544E+05  0.0000E+00  3.0660E+03 -1.2401E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.586m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0180E+03 -1.0685E+05  2.0342E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.6159E+03 -1.2457E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2410 -1.0542E+05  2.0094E+03 -1.0684E+05  2.0251E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.410p -1.0543E+05  0.0000E+00  2.9412E+03 -1.2415E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.596m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0190E+03 -1.0685E+05  2.0323E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.6833E+03 -1.2449E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2420 -1.0542E+05  2.0058E+03 -1.0683E+05  2.0287E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.420p -1.0542E+05  0.0000E+00  2.8033E+03 -1.2431E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.606m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0181E+03 -1.0685E+05  2.0313E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.7212E+03 -1.2444E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2430 -1.0542E+05  2.0019E+03 -1.0683E+05  2.0267E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.430p -1.0542E+05  0.0000E+00  2.8545E+03 -1.2424E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.616m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0160E+03 -1.0684E+05  2.0309E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.7348E+03 -1.2442E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2440 -1.0543E+05  2.0141E+03 -1.0685E+05  2.0255E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.440p -1.0544E+05  0.0000E+00  2.9106E+03 -1.2419E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.627m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0147E+03 -1.0684E+05  2.0298E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.7705E+03 -1.2437E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2450 -1.0542E+05  2.0214E+03 -1.0685E+05  2.0308E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.450p -1.0543E+05  0.0000E+00  2.7326E+03 -1.2442E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.637m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0146E+03 -1.0684E+05  2.0288E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.8051E+03 -1.2433E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2460 -1.0543E+05  2.0570E+03 -1.0687E+05  2.0298E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.460p -1.0543E+05  0.0000E+00  2.7540E+03 -1.2442E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.647m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0175E+03 -1.0684E+05  2.0280E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.8328E+03 -1.2429E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2470 -1.0542E+05  2.0435E+03 -1.0686E+05  2.0348E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.470p -1.0543E+05  0.0000E+00  2.5792E+03 -1.2463E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.657m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0226E+03 -1.0685E+05  2.0278E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.8362E+03 -1.2429E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0045E+03 -1.0685E+05  2.0415E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.480p -1.0544E+05  0.0000E+00  2.3459E+03 -1.2492E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.667m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0228E+03 -1.0685E+05  2.0285E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.8092E+03 -1.2432E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2490 -1.0543E+05  2.0303E+03 -1.0686E+05  2.0457E+04 -1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.490p -1.0544E+05  0.0000E+00  2.2318E+03 -1.2509E+05  1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.678m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0234E+03 -1.0685E+05  2.0300E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.7572E+03 -1.2439E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2500 -1.0542E+05  2.0390E+03 -1.0686E+05  2.0406E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.500p -1.0544E+05  0.0000E+00  2.4358E+03 -1.2483E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.688m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0215E+03 -1.0685E+05  2.0322E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.6819E+03 -1.2449E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2510 -1.0543E+05  2.0457E+03 -1.0688E+05  2.0298E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.510p -1.0545E+05  0.0000E+00  2.8330E+03 -1.2434E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.698m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0258E+03 -1.0685E+05  2.0332E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0543E+05  0.0000E+00  2.6526E+03 -1.2453E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2520 -1.0544E+05  2.0079E+03 -1.0686E+05  2.0276E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.520p -1.0545E+05  0.0000E+00  2.9148E+03 -1.2422E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.708m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0259E+03 -1.0685E+05  2.0334E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.6508E+03 -1.2454E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2530 -1.0543E+05  2.0242E+03 -1.0686E+05  2.0269E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.530p -1.0544E+05  0.0000E+00  2.9160E+03 -1.2421E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.719m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0281E+03 -1.0686E+05  2.0332E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.6654E+03 -1.2452E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2540 -1.0542E+05  2.0160E+03 -1.0685E+05  2.0326E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.540p -1.0544E+05  0.0000E+00  2.7178E+03 -1.2446E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.729m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0288E+03 -1.0686E+05  2.0337E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.6540E+03 -1.2454E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2550 -1.0542E+05  2.0313E+03 -1.0685E+05  2.0342E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.550p -1.0543E+05  0.0000E+00  2.6609E+03 -1.2453E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.739m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0299E+03 -1.0686E+05  2.0342E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.6414E+03 -1.2456E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0544E+05  1.9864E+03 -1.0684E+05  2.0361E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.560p -1.0545E+05  0.0000E+00  2.6066E+03 -1.2460E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.749m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0269E+03 -1.0686E+05  2.0346E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.6321E+03 -1.2457E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2570 -1.0543E+05  1.9917E+03 -1.0684E+05  2.0341E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.570p -1.0544E+05  0.0000E+00  2.6771E+03 -1.2450E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.760m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0196E+03 -1.0686E+05  2.0350E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.6266E+03 -1.2458E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2580 -1.0542E+05  2.0189E+03 -1.0685E+05  2.0275E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.580p -1.0544E+05  0.0000E+00  2.8887E+03 -1.2424E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.770m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0183E+03 -1.0686E+05  2.0342E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.6613E+03 -1.2454E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2590 -1.0542E+05  2.0069E+03 -1.0684E+05  2.0269E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.590p -1.0544E+05  0.0000E+00  2.9134E+03 -1.2420E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.780m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0185E+03 -1.0685E+05  2.0324E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.7267E+03 -1.2445E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2600 -1.0542E+05  2.0041E+03 -1.0684E+05  2.0252E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.600p -1.0543E+05  0.0000E+00  2.9984E+03 -1.2409E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.790m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0149E+03 -1.0685E+05  2.0307E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.7890E+03 -1.2437E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2610 -1.0541E+05  2.0314E+03 -1.0685E+05  2.0172E+04 -1.2702E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.610p -1.0543E+05  0.0000E+00  3.2794E+03 -1.2374E+05  1.2702E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.801m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0119E+03 -1.0685E+05  2.0294E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.8370E+03 -1.2431E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2620 -1.0541E+05  2.0179E+03 -1.0684E+05  2.0154E+04 -1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.620p -1.0543E+05  0.0000E+00  3.3356E+03 -1.2366E+05  1.2700E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.811m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0128E+03 -1.0685E+05  2.0281E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.8833E+03 -1.2425E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2630 -1.0544E+05  2.0205E+03 -1.0687E+05  2.0173E+04 -1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.630p -1.0546E+05  0.0000E+00  3.2657E+03 -1.2378E+05  1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.821m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0129E+03 -1.0685E+05  2.0271E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.9205E+03 -1.2420E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0064E+03 -1.0686E+05  2.0240E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.640p -1.0545E+05  0.0000E+00  3.0371E+03 -1.2406E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.831m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0121E+03 -1.0685E+05  2.0262E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.9536E+03 -1.2416E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2650 -1.0543E+05  2.0281E+03 -1.0687E+05  2.0282E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.650p -1.0545E+05  0.0000E+00  2.9228E+03 -1.2423E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.842m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0110E+03 -1.0685E+05  2.0254E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  2.9821E+03 -1.2412E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2660 -1.0542E+05  2.0609E+03 -1.0689E+05  2.0290E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.660p -1.0544E+05  0.0000E+00  2.8982E+03 -1.2428E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.852m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0149E+03 -1.0685E+05  2.0248E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0081E+03 -1.2409E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2670 -1.0542E+05  2.0349E+03 -1.0686E+05  2.0300E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.670p -1.0544E+05  0.0000E+00  2.8851E+03 -1.2428E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.862m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0213E+03 -1.0686E+05  2.0243E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0331E+03 -1.2407E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2680 -1.0542E+05  2.0035E+03 -1.0685E+05  2.0236E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.680p -1.0545E+05  0.0000E+00  3.1091E+03 -1.2398E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.872m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0226E+03 -1.0686E+05  2.0239E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0536E+03 -1.2404E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2690 -1.0542E+05  2.0061E+03 -1.0685E+05  2.0123E+04 -1.2697E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.690p -1.0544E+05  0.0000E+00  3.4712E+03 -1.2350E+05  1.2697E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.882m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0210E+03 -1.0686E+05  2.0230E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.0930E+03 -1.2399E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2700 -1.0542E+05  2.0150E+03 -1.0686E+05  2.0114E+04 -1.2697E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.700p -1.0545E+05  0.0000E+00  3.5216E+03 -1.2345E+05  1.2697E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.893m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0224E+03 -1.0686E+05  2.0214E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.1535E+03 -1.2392E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2710 -1.0542E+05  2.0261E+03 -1.0686E+05  2.0145E+04 -1.2701E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.710p -1.0544E+05  0.0000E+00  3.4218E+03 -1.2358E+05  1.2701E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.903m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0222E+03 -1.0686E+05  2.0206E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.1840E+03 -1.2388E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0542E+05  2.0284E+03 -1.0687E+05  2.0170E+04 -1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.720p -1.0545E+05  0.0000E+00  3.3453E+03 -1.2369E+05  1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.913m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0228E+03 -1.0686E+05  2.0206E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.1883E+03 -1.2388E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2730 -1.0541E+05  1.9930E+03 -1.0683E+05  2.0174E+04 -1.2701E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.730p -1.0544E+05  0.0000E+00  3.3021E+03 -1.2371E+05  1.2701E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.923m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0215E+03 -1.0686E+05  2.0208E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.1896E+03 -1.2388E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2740 -1.0542E+05  2.0257E+03 -1.0686E+05  2.0182E+04 -1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.740p -1.0544E+05  0.0000E+00  3.2853E+03 -1.2376E+05  1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.934m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0212E+03 -1.0686E+05  2.0205E+04 -1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.2045E+03 -1.2386E+05  1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2750 -1.0541E+05  2.0226E+03 -1.0685E+05  2.0206E+04 -1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.750p -1.0544E+05  0.0000E+00  3.1504E+03 -1.2391E+05  1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.944m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0225E+03 -1.0686E+05  2.0197E+04 -1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.2312E+03 -1.2383E+05  1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2760 -1.0541E+05  1.9919E+03 -1.0683E+05  2.0261E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.760p -1.0544E+05  0.0000E+00  2.9292E+03 -1.2416E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.954m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0178E+03 -1.0686E+05  2.0192E+04 -1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0544E+05  0.0000E+00  3.2427E+03 -1.2381E+05  1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2770 -1.0542E+05  2.0163E+03 -1.0686E+05  2.0303E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.770p -1.0545E+05  0.0000E+00  2.7990E+03 -1.2437E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.964m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0136E+03 -1.0685E+05  2.0190E+04 -1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.2422E+03 -1.2380E+05  1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2780 -1.0542E+05  2.0364E+03 -1.0687E+05  2.0318E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.780p -1.0545E+05  0.0000E+00  2.7320E+03 -1.2446E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.975m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0141E+03 -1.0686E+05  2.0195E+04 -1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.2164E+03 -1.2383E+05  1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2790 -1.0543E+05  2.0194E+03 -1.0687E+05  2.0321E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.790p -1.0546E+05  0.0000E+00  2.7356E+03 -1.2446E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.985m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0173E+03 -1.0686E+05  2.0210E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.1590E+03 -1.2391E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0230E+03 -1.0688E+05  2.0272E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.800p -1.0546E+05  0.0000E+00  2.9104E+03 -1.2424E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.995m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0179E+03 -1.0686E+05  2.0229E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.0866E+03 -1.2400E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2810 -1.0541E+05  2.0194E+03 -1.0686E+05  2.0236E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.810p -1.0544E+05  0.0000E+00  2.9995E+03 -1.2409E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.005m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0177E+03 -1.0686E+05  2.0241E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  3.0370E+03 -1.2406E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2820 -1.0543E+05  2.0483E+03 -1.0689E+05  2.0263E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.820p -1.0546E+05  0.0000E+00  2.9171E+03 -1.2424E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.015m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0188E+03 -1.0686E+05  2.0249E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.9975E+03 -1.2411E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2830 -1.0544E+05  2.0289E+03 -1.0690E+05  2.0294E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.830p -1.0548E+05  0.0000E+00  2.8106E+03 -1.2438E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.026m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0208E+03 -1.0687E+05  2.0261E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.9472E+03 -1.2418E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2840 -1.0544E+05  2.0464E+03 -1.0691E+05  2.0274E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.840p -1.0547E+05  0.0000E+00  2.8514E+03 -1.2433E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.036m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  2.0251E+03 -1.0687E+05  2.0271E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0545E+05  0.0000E+00  2.9041E+03 -1.2424E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2850 -1.0545E+05  2.0162E+03 -1.0690E+05  2.0337E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.850p -1.0548E+05  0.0000E+00  2.6300E+03 -1.2460E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.046m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0241E+03 -1.0687E+05  2.0282E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0546E+05  0.0000E+00  2.8541E+03 -1.2430E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2860 -1.0544E+05  2.0221E+03 -1.0690E+05  2.0382E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.860p -1.0548E+05  0.0000E+00  2.4492E+03 -1.2483E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.057m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0267E+03 -1.0688E+05  2.0295E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0546E+05  0.0000E+00  2.8058E+03 -1.2437E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2870 -1.0544E+05  1.9837E+03 -1.0687E+05  2.0411E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.870p -1.0548E+05  0.0000E+00  2.3291E+03 -1.2495E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.067m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0257E+03 -1.0688E+05  2.0307E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0547E+05  0.0000E+00  2.7545E+03 -1.2444E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9991E+03 -1.0686E+05  2.0349E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.880p -1.0547E+05  0.0000E+00  2.5067E+03 -1.2471E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.077m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0224E+03 -1.0688E+05  2.0313E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0547E+05  0.0000E+00  2.7225E+03 -1.2447E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2890 -1.0542E+05  2.0707E+03 -1.0691E+05  2.0280E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.890p -1.0546E+05  0.0000E+00  2.7480E+03 -1.2444E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.087m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0225E+03 -1.0688E+05  2.0312E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0547E+05  0.0000E+00  2.7112E+03 -1.2448E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2900 -1.0543E+05  2.0361E+03 -1.0690E+05  2.0280E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.900p -1.0547E+05  0.0000E+00  2.7605E+03 -1.2442E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.097m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0271E+03 -1.0689E+05  2.0309E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0547E+05  0.0000E+00  2.7093E+03 -1.2449E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2910 -1.0543E+05  1.9965E+03 -1.0687E+05  2.0327E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.910p -1.0547E+05  0.0000E+00  2.6052E+03 -1.2459E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.108m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0261E+03 -1.0689E+05  2.0315E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0547E+05  0.0000E+00  2.6786E+03 -1.2453E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2920 -1.0545E+05  1.9951E+03 -1.0689E+05  2.0341E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.920p -1.0550E+05  0.0000E+00  2.5821E+03 -1.2465E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.118m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0214E+03 -1.0689E+05  2.0325E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0547E+05  0.0000E+00  2.6399E+03 -1.2457E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2930 -1.0544E+05  2.0243E+03 -1.0690E+05  2.0327E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.930p -1.0548E+05  0.0000E+00  2.6375E+03 -1.2459E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.128m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0192E+03 -1.0689E+05  2.0330E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.6172E+03 -1.2460E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2940 -1.0545E+05  2.0357E+03 -1.0692E+05  2.0297E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.940p -1.0549E+05  0.0000E+00  2.7380E+03 -1.2448E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.138m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0184E+03 -1.0689E+05  2.0332E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.6035E+03 -1.2462E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2950 -1.0543E+05  1.9927E+03 -1.0687E+05  2.0310E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.950p -1.0548E+05  0.0000E+00  2.6594E+03 -1.2452E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.148m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0170E+03 -1.0689E+05  2.0332E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.5998E+03 -1.2462E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0542E+05  2.0263E+03 -1.0689E+05  2.0293E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.960p -1.0547E+05  0.0000E+00  2.7122E+03 -1.2447E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.159m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0155E+03 -1.0689E+05  2.0326E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.6148E+03 -1.2460E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2970 -1.0543E+05  2.0038E+03 -1.0688E+05  2.0324E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.970p -1.0548E+05  0.0000E+00  2.6342E+03 -1.2457E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.169m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0170E+03 -1.0689E+05  2.0317E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.6462E+03 -1.2456E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2980 -1.0545E+05  2.0247E+03 -1.0691E+05  2.0314E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.980p -1.0550E+05  0.0000E+00  2.6940E+03 -1.2453E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.179m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0195E+03 -1.0689E+05  2.0311E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.6705E+03 -1.2453E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     2990 -1.0544E+05  2.0400E+03 -1.0692E+05  2.0307E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   2.990p -1.0549E+05  0.0000E+00  2.7077E+03 -1.2452E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.189m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0194E+03 -1.0690E+05  2.0310E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.6774E+03 -1.2453E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3000 -1.0544E+05  2.0240E+03 -1.0691E+05  2.0303E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.000p -1.0549E+05  0.0000E+00  2.7322E+03 -1.2448E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.199m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0164E+03 -1.0690E+05  2.0314E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.6692E+03 -1.2454E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3010 -1.0544E+05  2.0284E+03 -1.0691E+05  2.0279E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.010p -1.0549E+05  0.0000E+00  2.8054E+03 -1.2439E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.213m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0181E+03 -1.0690E+05  2.0312E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.6810E+03 -1.2453E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3020 -1.0543E+05  2.0262E+03 -1.0690E+05  2.0312E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.020p -1.0548E+05  0.0000E+00  2.7045E+03 -1.2451E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.223m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0208E+03 -1.0690E+05  2.0308E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.6951E+03 -1.2451E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3030 -1.0542E+05  2.0219E+03 -1.0689E+05  2.0264E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.030p -1.0548E+05  0.0000E+00  2.8424E+03 -1.2432E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.233m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0236E+03 -1.0690E+05  2.0303E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.7137E+03 -1.2449E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0088E+03 -1.0689E+05  2.0265E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.040p -1.0549E+05  0.0000E+00  2.8448E+03 -1.2431E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.243m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0198E+03 -1.0690E+05  2.0299E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.7270E+03 -1.2447E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3050 -1.0544E+05  2.0272E+03 -1.0691E+05  2.0298E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.050p -1.0550E+05  0.0000E+00  2.7484E+03 -1.2446E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.254m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0218E+03 -1.0690E+05  2.0296E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0548E+05  0.0000E+00  2.7383E+03 -1.2446E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3060 -1.0544E+05  2.0145E+03 -1.0691E+05  2.0317E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.060p -1.0550E+05  0.0000E+00  2.6789E+03 -1.2455E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.264m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0225E+03 -1.0690E+05  2.0297E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.7395E+03 -1.2446E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3070 -1.0543E+05  1.9660E+03 -1.0687E+05  2.0352E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.070p -1.0549E+05  0.0000E+00  2.5502E+03 -1.2467E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.275m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0202E+03 -1.0690E+05  2.0300E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.7331E+03 -1.2447E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3080 -1.0544E+05  2.0242E+03 -1.0692E+05  2.0291E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.080p -1.0550E+05  0.0000E+00  2.7871E+03 -1.2442E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.285m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0177E+03 -1.0690E+05  2.0300E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.7325E+03 -1.2447E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3090 -1.0543E+05  2.0350E+03 -1.0692E+05  2.0301E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.090p -1.0550E+05  0.0000E+00  2.7722E+03 -1.2445E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.295m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0179E+03 -1.0690E+05  2.0298E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.7432E+03 -1.2446E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3100 -1.0544E+05  2.0025E+03 -1.0690E+05  2.0363E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.100p -1.0550E+05  0.0000E+00  2.5620E+03 -1.2470E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.305m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0165E+03 -1.0690E+05  2.0301E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.7382E+03 -1.2447E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3110 -1.0543E+05  1.9990E+03 -1.0689E+05  2.0366E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.110p -1.0549E+05  0.0000E+00  2.5426E+03 -1.2472E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.315m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0138E+03 -1.0690E+05  2.0309E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.7135E+03 -1.2450E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0542E+05  2.0213E+03 -1.0690E+05  2.0340E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.120p -1.0549E+05  0.0000E+00  2.6192E+03 -1.2462E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.326m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0121E+03 -1.0690E+05  2.0315E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.6974E+03 -1.2452E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3130 -1.0544E+05  2.0154E+03 -1.0691E+05  2.0319E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.130p -1.0550E+05  0.0000E+00  2.6931E+03 -1.2454E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.336m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0119E+03 -1.0690E+05  2.0318E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0549E+05  0.0000E+00  2.6885E+03 -1.2453E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3140 -1.0544E+05  2.0003E+03 -1.0691E+05  2.0347E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.140p -1.0551E+05  0.0000E+00  2.5932E+03 -1.2467E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.346m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0109E+03 -1.0690E+05  2.0326E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0550E+05  0.0000E+00  2.6661E+03 -1.2456E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3150 -1.0545E+05  2.0150E+03 -1.0693E+05  2.0378E+04 -1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.150p -1.0552E+05  0.0000E+00  2.4849E+03 -1.2483E+05  1.2731E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.357m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0099E+03 -1.0691E+05  2.0334E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0550E+05  0.0000E+00  2.6406E+03 -1.2460E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3160 -1.0545E+05  2.0337E+03 -1.0694E+05  2.0381E+04 -1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.160p -1.0552E+05  0.0000E+00  2.4597E+03 -1.2487E+05  1.2733E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.367m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0101E+03 -1.0691E+05  2.0341E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0550E+05  0.0000E+00  2.6154E+03 -1.2464E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3170 -1.0545E+05  2.0145E+03 -1.0693E+05  2.0378E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.170p -1.0552E+05  0.0000E+00  2.4601E+03 -1.2484E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.377m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0139E+03 -1.0691E+05  2.0345E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0550E+05  0.0000E+00  2.6018E+03 -1.2466E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3180 -1.0544E+05  1.9832E+03 -1.0690E+05  2.0399E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.180p -1.0552E+05  0.0000E+00  2.4115E+03 -1.2489E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.387m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0152E+03 -1.0692E+05  2.0352E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.5796E+03 -1.2469E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3190 -1.0545E+05  1.9540E+03 -1.0689E+05  2.0391E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.190p -1.0552E+05  0.0000E+00  2.4485E+03 -1.2483E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.398m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0070E+03 -1.0691E+05  2.0363E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.5388E+03 -1.2474E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0544E+05  1.9795E+03 -1.0690E+05  2.0308E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.200p -1.0551E+05  0.0000E+00  2.7252E+03 -1.2448E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.408m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0027E+03 -1.0691E+05  2.0364E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.5326E+03 -1.2474E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3210 -1.0545E+05  2.0034E+03 -1.0693E+05  2.0209E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.210p -1.0552E+05  0.0000E+00  3.0889E+03 -1.2405E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.418m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0013E+03 -1.0691E+05  2.0353E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.5710E+03 -1.2469E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3220 -1.0544E+05  2.0257E+03 -1.0694E+05  2.0152E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.220p -1.0552E+05  0.0000E+00  3.2947E+03 -1.2379E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.428m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0030E+03 -1.0692E+05  2.0334E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0552E+05  0.0000E+00  2.6369E+03 -1.2461E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3230 -1.0543E+05  2.0263E+03 -1.0692E+05  2.0161E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.230p -1.0551E+05  0.0000E+00  3.2626E+03 -1.2382E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.439m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0021E+03 -1.0692E+05  2.0318E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0552E+05  0.0000E+00  2.6955E+03 -1.2454E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3240 -1.0541E+05  2.0199E+03 -1.0690E+05  2.0215E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.240p -1.0549E+05  0.0000E+00  3.0437E+03 -1.2407E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.449m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0055E+03 -1.0692E+05  2.0302E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0552E+05  0.0000E+00  2.7501E+03 -1.2447E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3250 -1.0542E+05  2.0029E+03 -1.0690E+05  2.0254E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.250p -1.0550E+05  0.0000E+00  2.8891E+03 -1.2426E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.459m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0049E+03 -1.0692E+05  2.0291E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.7888E+03 -1.2442E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3260 -1.0542E+05  1.9910E+03 -1.0690E+05  2.0254E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.260p -1.0551E+05  0.0000E+00  2.8864E+03 -1.2427E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.469m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  2.0021E+03 -1.0691E+05  2.0277E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.8336E+03 -1.2436E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3270 -1.0542E+05  2.0055E+03 -1.0691E+05  2.0252E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.270p -1.0551E+05  0.0000E+00  2.9106E+03 -1.2425E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.480m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9993E+03 -1.0691E+05  2.0265E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.8765E+03 -1.2430E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9937E+03 -1.0691E+05  2.0254E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.280p -1.0551E+05  0.0000E+00  2.9063E+03 -1.2425E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.490m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9993E+03 -1.0691E+05  2.0251E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.9259E+03 -1.2424E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3290 -1.0543E+05  1.9894E+03 -1.0691E+05  2.0288E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.290p -1.0552E+05  0.0000E+00  2.8217E+03 -1.2438E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.500m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0025E+03 -1.0691E+05  2.0239E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.9702E+03 -1.2418E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3300 -1.0544E+05  1.9547E+03 -1.0690E+05  2.0248E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.300p -1.0553E+05  0.0000E+00  2.9419E+03 -1.2421E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.510m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0024E+03 -1.0691E+05  2.0231E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.9988E+03 -1.2415E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3310 -1.0544E+05  1.9934E+03 -1.0692E+05  2.0222E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.310p -1.0552E+05  0.0000E+00  3.0571E+03 -1.2408E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.521m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  2.0007E+03 -1.0691E+05  2.0228E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  3.0080E+03 -1.2413E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3320 -1.0544E+05  2.0103E+03 -1.0694E+05  2.0189E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.320p -1.0553E+05  0.0000E+00  3.1868E+03 -1.2394E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.531m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9992E+03 -1.0691E+05  2.0233E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0551E+05  0.0000E+00  2.9961E+03 -1.2415E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3330 -1.0544E+05  2.0277E+03 -1.0695E+05  2.0184E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.330p -1.0554E+05  0.0000E+00  3.2126E+03 -1.2393E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.541m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9987E+03 -1.0691E+05  2.0234E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0552E+05  0.0000E+00  2.9908E+03 -1.2416E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3340 -1.0543E+05  1.9713E+03 -1.0690E+05  2.0231E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.340p -1.0552E+05  0.0000E+00  3.0066E+03 -1.2413E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.551m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9969E+03 -1.0692E+05  2.0237E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0552E+05  0.0000E+00  2.9854E+03 -1.2417E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3350 -1.0545E+05  1.9585E+03 -1.0691E+05  2.0223E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.350p -1.0554E+05  0.0000E+00  3.0439E+03 -1.2409E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.561m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9906E+03 -1.0692E+05  2.0237E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0552E+05  0.0000E+00  2.9885E+03 -1.2416E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0545E+05  1.9893E+03 -1.0693E+05  2.0139E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.360p -1.0554E+05  0.0000E+00  3.3504E+03 -1.2372E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.571m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9894E+03 -1.0692E+05  2.0228E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.0219E+03 -1.2412E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3370 -1.0542E+05  2.0069E+03 -1.0692E+05  2.0153E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.370p -1.0552E+05  0.0000E+00  3.3106E+03 -1.2377E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.582m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9894E+03 -1.0692E+05  2.0217E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.0678E+03 -1.2407E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3380 -1.0541E+05  1.9696E+03 -1.0689E+05  2.0215E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.380p -1.0551E+05  0.0000E+00  3.0660E+03 -1.2404E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.592m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9883E+03 -1.0692E+05  2.0211E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.0929E+03 -1.2404E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3390 -1.0542E+05  1.9813E+03 -1.0691E+05  2.0220E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.390p -1.0552E+05  0.0000E+00  3.0415E+03 -1.2409E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.602m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9864E+03 -1.0692E+05  2.0205E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.1114E+03 -1.2401E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3400 -1.0541E+05  1.9850E+03 -1.0690E+05  2.0201E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.400p -1.0551E+05  0.0000E+00  3.0895E+03 -1.2401E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.613m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9881E+03 -1.0692E+05  2.0199E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.1319E+03 -1.2399E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3410 -1.0542E+05  1.9599E+03 -1.0690E+05  2.0197E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.410p -1.0552E+05  0.0000E+00  3.1152E+03 -1.2398E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.623m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9876E+03 -1.0692E+05  2.0197E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.1390E+03 -1.2398E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3420 -1.0542E+05  1.9812E+03 -1.0691E+05  2.0159E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.420p -1.0552E+05  0.0000E+00  3.2699E+03 -1.2380E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.633m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9845E+03 -1.0692E+05  2.0193E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.1490E+03 -1.2396E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3430 -1.0542E+05  1.9844E+03 -1.0691E+05  2.0128E+04 -1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.430p -1.0553E+05  0.0000E+00  3.3890E+03 -1.2365E+05  1.2704E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.643m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9807E+03 -1.0691E+05  2.0190E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.1603E+03 -1.2394E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0542E+05  2.0054E+03 -1.0693E+05  2.0125E+04 -1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.440p -1.0552E+05  0.0000E+00  3.3963E+03 -1.2366E+05  1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.653m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9796E+03 -1.0691E+05  2.0181E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.1897E+03 -1.2390E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3450 -1.0543E+05  1.9824E+03 -1.0692E+05  2.0180E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.450p -1.0553E+05  0.0000E+00  3.1725E+03 -1.2393E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.664m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9844E+03 -1.0691E+05  2.0172E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.2225E+03 -1.2386E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3460 -1.0544E+05  1.9742E+03 -1.0693E+05  2.0246E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.460p -1.0554E+05  0.0000E+00  2.9233E+03 -1.2425E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.674m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9833E+03 -1.0691E+05  2.0177E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.2009E+03 -1.2389E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3470 -1.0543E+05  1.9883E+03 -1.0692E+05  2.0261E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.470p -1.0553E+05  0.0000E+00  2.8550E+03 -1.2433E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.684m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9821E+03 -1.0691E+05  2.0189E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.1544E+03 -1.2395E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3480 -1.0543E+05  2.0083E+03 -1.0694E+05  2.0256E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.480p -1.0554E+05  0.0000E+00  2.8613E+03 -1.2434E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.694m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9832E+03 -1.0692E+05  2.0196E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.1231E+03 -1.2399E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3490 -1.0544E+05  1.9731E+03 -1.0693E+05  2.0286E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.490p -1.0555E+05  0.0000E+00  2.7512E+03 -1.2446E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.704m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9850E+03 -1.0692E+05  2.0201E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.0997E+03 -1.2402E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3500 -1.0544E+05  1.9875E+03 -1.0694E+05  2.0258E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.500p -1.0555E+05  0.0000E+00  2.8410E+03 -1.2435E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.715m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9839E+03 -1.0692E+05  2.0207E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0553E+05  0.0000E+00  3.0690E+03 -1.2406E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3510 -1.0542E+05  1.9928E+03 -1.0693E+05  2.0180E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.510p -1.0554E+05  0.0000E+00  3.0780E+03 -1.2403E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.725m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9865E+03 -1.0693E+05  2.0209E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  3.0570E+03 -1.2408E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9837E+03 -1.0693E+05  2.0179E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.520p -1.0554E+05  0.0000E+00  3.0707E+03 -1.2404E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.735m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9878E+03 -1.0693E+05  2.0208E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  3.0475E+03 -1.2409E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3530 -1.0543E+05  1.9803E+03 -1.0693E+05  2.0300E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.530p -1.0554E+05  0.0000E+00  2.6726E+03 -1.2455E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.746m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9883E+03 -1.0693E+05  2.0218E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  3.0000E+03 -1.2415E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3540 -1.0543E+05  1.9638E+03 -1.0692E+05  2.0322E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.540p -1.0554E+05  0.0000E+00  2.5389E+03 -1.2470E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.756m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9853E+03 -1.0693E+05  2.0238E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.9150E+03 -1.2425E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3550 -1.0542E+05  1.9747E+03 -1.0691E+05  2.0318E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.550p -1.0553E+05  0.0000E+00  2.5230E+03 -1.2471E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.766m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9828E+03 -1.0693E+05  2.0255E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.8390E+03 -1.2434E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3560 -1.0542E+05  1.9685E+03 -1.0692E+05  2.0318E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.560p -1.0554E+05  0.0000E+00  2.5041E+03 -1.2473E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.776m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9828E+03 -1.0693E+05  2.0264E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.7889E+03 -1.2440E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3570 -1.0543E+05  1.9867E+03 -1.0694E+05  2.0311E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.570p -1.0555E+05  0.0000E+00  2.5514E+03 -1.2470E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.787m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9819E+03 -1.0693E+05  2.0271E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.7518E+03 -1.2445E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3580 -1.0543E+05  2.0227E+03 -1.0697E+05  2.0270E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.580p -1.0555E+05  0.0000E+00  2.6907E+03 -1.2455E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.797m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9826E+03 -1.0693E+05  2.0274E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.7288E+03 -1.2447E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3590 -1.0544E+05  1.9982E+03 -1.0696E+05  2.0324E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.590p -1.0556E+05  0.0000E+00  2.5158E+03 -1.2477E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.807m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9845E+03 -1.0693E+05  2.0276E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.7094E+03 -1.2450E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9914E+03 -1.0695E+05  2.0339E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.600p -1.0555E+05  0.0000E+00  2.4504E+03 -1.2484E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.817m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9866E+03 -1.0694E+05  2.0282E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.6790E+03 -1.2454E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3610 -1.0543E+05  1.9786E+03 -1.0694E+05  2.0293E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.610p -1.0556E+05  0.0000E+00  2.5915E+03 -1.2464E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.828m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9857E+03 -1.0694E+05  2.0292E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.6339E+03 -1.2459E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3620 -1.0541E+05  1.9626E+03 -1.0691E+05  2.0292E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.620p -1.0553E+05  0.0000E+00  2.5861E+03 -1.2461E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.838m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9837E+03 -1.0693E+05  2.0304E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.5823E+03 -1.2466E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3630 -1.0540E+05  1.9984E+03 -1.0692E+05  2.0292E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.630p -1.0552E+05  0.0000E+00  2.5806E+03 -1.2463E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.848m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9834E+03 -1.0693E+05  2.0309E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.5547E+03 -1.2469E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3640 -1.0541E+05  1.9922E+03 -1.0693E+05  2.0312E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.640p -1.0553E+05  0.0000E+00  2.5231E+03 -1.2471E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.858m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9863E+03 -1.0693E+05  2.0307E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.5528E+03 -1.2469E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3650 -1.0542E+05  1.9877E+03 -1.0693E+05  2.0315E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.650p -1.0554E+05  0.0000E+00  2.5176E+03 -1.2473E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.869m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9883E+03 -1.0693E+05  2.0306E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.5514E+03 -1.2469E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3660 -1.0542E+05  1.9821E+03 -1.0693E+05  2.0294E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.660p -1.0555E+05  0.0000E+00  2.5765E+03 -1.2465E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.879m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9894E+03 -1.0694E+05  2.0306E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.5537E+03 -1.2469E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3670 -1.0543E+05  1.9891E+03 -1.0695E+05  2.0248E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.670p -1.0556E+05  0.0000E+00  2.7201E+03 -1.2448E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.889m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9901E+03 -1.0694E+05  2.0301E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.5674E+03 -1.2467E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  2.0096E+03 -1.0696E+05  2.0229E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.680p -1.0556E+05  0.0000E+00  2.7796E+03 -1.2441E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.900m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9900E+03 -1.0694E+05  2.0295E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.5811E+03 -1.2465E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3690 -1.0542E+05  1.9592E+03 -1.0692E+05  2.0265E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.690p -1.0555E+05  0.0000E+00  2.6432E+03 -1.2454E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.910m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9865E+03 -1.0694E+05  2.0291E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.5900E+03 -1.2464E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3700 -1.0542E+05  2.0081E+03 -1.0696E+05  2.0279E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.700p -1.0555E+05  0.0000E+00  2.6099E+03 -1.2462E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.920m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9858E+03 -1.0694E+05  2.0284E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.6072E+03 -1.2461E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3710 -1.0542E+05  1.9891E+03 -1.0694E+05  2.0301E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.710p -1.0555E+05  0.0000E+00  2.4853E+03 -1.2475E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.930m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9870E+03 -1.0693E+05  2.0282E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0554E+05  0.0000E+00  2.6083E+03 -1.2461E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3720 -1.0543E+05  1.9848E+03 -1.0695E+05  2.0308E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.720p -1.0556E+05  0.0000E+00  2.4597E+03 -1.2479E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.940m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9895E+03 -1.0694E+05  2.0284E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.5961E+03 -1.2463E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3730 -1.0543E+05  1.9749E+03 -1.0694E+05  2.0315E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.730p -1.0556E+05  0.0000E+00  2.4180E+03 -1.2484E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.950m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9887E+03 -1.0694E+05  2.0286E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.5812E+03 -1.2464E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3740 -1.0541E+05  1.9730E+03 -1.0693E+05  2.0356E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.740p -1.0555E+05  0.0000E+00  2.2462E+03 -1.2504E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.961m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9868E+03 -1.0694E+05  2.0289E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.5603E+03 -1.2467E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3750 -1.0543E+05  1.9604E+03 -1.0693E+05  2.0368E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.750p -1.0556E+05  0.0000E+00  2.2225E+03 -1.2508E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.971m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9836E+03 -1.0694E+05  2.0295E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.5287E+03 -1.2471E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9846E+03 -1.0695E+05  2.0313E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.760p -1.0556E+05  0.0000E+00  2.4289E+03 -1.2483E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.981m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9831E+03 -1.0694E+05  2.0297E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.5091E+03 -1.2473E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3770 -1.0542E+05  1.9924E+03 -1.0695E+05  2.0289E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.770p -1.0556E+05  0.0000E+00  2.5170E+03 -1.2472E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.992m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9839E+03 -1.0694E+05  2.0300E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.4930E+03 -1.2475E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3780 -1.0542E+05  1.9709E+03 -1.0694E+05  2.0311E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.780p -1.0556E+05  0.0000E+00  2.4491E+03 -1.2480E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.002m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9808E+03 -1.0694E+05  2.0308E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0555E+05  0.0000E+00  2.4617E+03 -1.2479E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3790 -1.0543E+05  2.0067E+03 -1.0697E+05  2.0231E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.790p -1.0556E+05  0.0000E+00  2.7137E+03 -1.2448E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.012m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9824E+03 -1.0694E+05  2.0309E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.4502E+03 -1.2480E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3800 -1.0542E+05  1.9785E+03 -1.0694E+05  2.0226E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.800p -1.0556E+05  0.0000E+00  2.7193E+03 -1.2445E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.022m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9833E+03 -1.0694E+05  2.0304E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.4624E+03 -1.2479E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3810 -1.0542E+05  1.9525E+03 -1.0692E+05  2.0294E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.810p -1.0556E+05  0.0000E+00  2.4909E+03 -1.2473E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.032m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9798E+03 -1.0694E+05  2.0301E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.4675E+03 -1.2478E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3820 -1.0542E+05  1.9416E+03 -1.0692E+05  2.0309E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.820p -1.0556E+05  0.0000E+00  2.4378E+03 -1.2479E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.043m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9745E+03 -1.0694E+05  2.0302E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.4638E+03 -1.2478E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3830 -1.0542E+05  2.0091E+03 -1.0696E+05  2.0265E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.830p -1.0556E+05  0.0000E+00  2.6273E+03 -1.2460E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.053m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9754E+03 -1.0694E+05  2.0299E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.4740E+03 -1.2476E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0541E+05  1.9834E+03 -1.0693E+05  2.0213E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.840p -1.0555E+05  0.0000E+00  2.7750E+03 -1.2437E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.063m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9777E+03 -1.0694E+05  2.0289E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.5123E+03 -1.2472E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3850 -1.0542E+05  1.9642E+03 -1.0694E+05  2.0195E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.850p -1.0556E+05  0.0000E+00  2.8517E+03 -1.2428E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.073m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9784E+03 -1.0694E+05  2.0272E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.5733E+03 -1.2464E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3860 -1.0542E+05  1.9804E+03 -1.0695E+05  2.0196E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.860p -1.0557E+05  0.0000E+00  2.8551E+03 -1.2429E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.084m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9784E+03 -1.0694E+05  2.0257E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.6272E+03 -1.2457E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3870 -1.0543E+05  1.9561E+03 -1.0694E+05  2.0256E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.870p -1.0557E+05  0.0000E+00  2.6289E+03 -1.2456E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.094m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9757E+03 -1.0694E+05  2.0251E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.6508E+03 -1.2454E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3880 -1.0543E+05  1.9961E+03 -1.0698E+05  2.0260E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.880p -1.0558E+05  0.0000E+00  2.6291E+03 -1.2461E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.104m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9757E+03 -1.0694E+05  2.0246E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.6657E+03 -1.2452E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3890 -1.0543E+05  1.9960E+03 -1.0697E+05  2.0281E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.890p -1.0557E+05  0.0000E+00  2.5879E+03 -1.2466E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.114m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9765E+03 -1.0695E+05  2.0246E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.6691E+03 -1.2452E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3900 -1.0542E+05  1.9922E+03 -1.0696E+05  2.0288E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.900p -1.0556E+05  0.0000E+00  2.5802E+03 -1.2467E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.125m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9761E+03 -1.0695E+05  2.0254E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.6501E+03 -1.2455E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3910 -1.0542E+05  1.9809E+03 -1.0695E+05  2.0288E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.910p -1.0556E+05  0.0000E+00  2.5698E+03 -1.2467E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.135m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9789E+03 -1.0695E+05  2.0255E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.6509E+03 -1.2455E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0541E+05  1.9568E+03 -1.0693E+05  2.0286E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.920p -1.0556E+05  0.0000E+00  2.5697E+03 -1.2465E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.145m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9812E+03 -1.0695E+05  2.0254E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.6613E+03 -1.2454E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3930 -1.0541E+05  1.9835E+03 -1.0695E+05  2.0215E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.930p -1.0556E+05  0.0000E+00  2.8335E+03 -1.2433E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.155m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9805E+03 -1.0695E+05  2.0250E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.6785E+03 -1.2452E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3940 -1.0541E+05  1.9600E+03 -1.0693E+05  2.0163E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.940p -1.0556E+05  0.0000E+00  3.0351E+03 -1.2406E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.166m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9771E+03 -1.0695E+05  2.0245E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.7010E+03 -1.2449E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3950 -1.0543E+05  1.9718E+03 -1.0695E+05  2.0150E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.950p -1.0557E+05  0.0000E+00  3.0906E+03 -1.2401E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.176m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9771E+03 -1.0695E+05  2.0240E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7294E+03 -1.2446E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3960 -1.0543E+05  1.9691E+03 -1.0696E+05  2.0222E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.960p -1.0558E+05  0.0000E+00  2.8352E+03 -1.2435E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.186m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9765E+03 -1.0695E+05  2.0240E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7377E+03 -1.2445E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3970 -1.0544E+05  1.9712E+03 -1.0697E+05  2.0274E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.970p -1.0559E+05  0.0000E+00  2.6738E+03 -1.2457E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.197m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9773E+03 -1.0695E+05  2.0242E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7376E+03 -1.2446E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3980 -1.0543E+05  1.9590E+03 -1.0695E+05  2.0240E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.980p -1.0557E+05  0.0000E+00  2.7788E+03 -1.2441E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.207m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9756E+03 -1.0695E+05  2.0242E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7468E+03 -1.2445E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     3990 -1.0542E+05  1.9942E+03 -1.0696E+05  2.0205E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   3.990p -1.0557E+05  0.0000E+00  2.9095E+03 -1.2426E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.217m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9738E+03 -1.0695E+05  2.0237E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7736E+03 -1.2441E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0542E+05  1.9684E+03 -1.0695E+05  2.0267E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.000p -1.0557E+05  0.0000E+00  2.6905E+03 -1.2452E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.227m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9726E+03 -1.0695E+05  2.0232E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7959E+03 -1.2439E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4010 -1.0543E+05  1.9601E+03 -1.0695E+05  2.0268E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.010p -1.0558E+05  0.0000E+00  2.6811E+03 -1.2454E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.240m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9700E+03 -1.0695E+05  2.0231E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.8033E+03 -1.2438E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4020 -1.0544E+05  1.9711E+03 -1.0697E+05  2.0210E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.020p -1.0559E+05  0.0000E+00  2.8923E+03 -1.2429E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.250m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9700E+03 -1.0695E+05  2.0225E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.8278E+03 -1.2435E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4030 -1.0543E+05  1.9755E+03 -1.0697E+05  2.0170E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.030p -1.0558E+05  0.0000E+00  3.0329E+03 -1.2410E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.261m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9702E+03 -1.0696E+05  2.0219E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8543E+03 -1.2432E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4040 -1.0542E+05  1.9760E+03 -1.0695E+05  2.0111E+04 -1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.040p -1.0557E+05  0.0000E+00  3.2227E+03 -1.2384E+05  1.2706E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.271m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9708E+03 -1.0696E+05  2.0214E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8725E+03 -1.2430E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4050 -1.0542E+05  1.9977E+03 -1.0697E+05  2.0081E+04 -1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.050p -1.0557E+05  0.0000E+00  3.3506E+03 -1.2370E+05  1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.281m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9727E+03 -1.0696E+05  2.0208E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8934E+03 -1.2427E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4060 -1.0543E+05  1.9898E+03 -1.0697E+05  2.0081E+04 -1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.060p -1.0558E+05  0.0000E+00  3.3699E+03 -1.2368E+05  1.2705E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.291m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9757E+03 -1.0696E+05  2.0198E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9349E+03 -1.2422E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4070 -1.0543E+05  1.9573E+03 -1.0695E+05  2.0114E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.070p -1.0558E+05  0.0000E+00  3.2491E+03 -1.2382E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.302m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9755E+03 -1.0696E+05  2.0182E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9935E+03 -1.2415E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9503E+03 -1.0695E+05  2.0144E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.080p -1.0559E+05  0.0000E+00  3.1340E+03 -1.2396E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.312m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9745E+03 -1.0696E+05  2.0169E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0397E+03 -1.2409E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4090 -1.0543E+05  1.9742E+03 -1.0697E+05  2.0133E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.090p -1.0559E+05  0.0000E+00  3.1784E+03 -1.2392E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.322m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9729E+03 -1.0696E+05  2.0161E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0675E+03 -1.2405E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4100 -1.0543E+05  1.9852E+03 -1.0697E+05  2.0146E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.100p -1.0558E+05  0.0000E+00  3.1387E+03 -1.2398E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.332m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9729E+03 -1.0696E+05  2.0151E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.1041E+03 -1.2401E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4110 -1.0543E+05  1.9608E+03 -1.0696E+05  2.0163E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.110p -1.0558E+05  0.0000E+00  3.0618E+03 -1.2406E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.343m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9739E+03 -1.0696E+05  2.0140E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.1468E+03 -1.2395E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4120 -1.0543E+05  1.9330E+03 -1.0693E+05  2.0181E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.120p -1.0558E+05  0.0000E+00  3.0061E+03 -1.2411E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.353m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9718E+03 -1.0696E+05  2.0133E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.1708E+03 -1.2392E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4130 -1.0541E+05  1.9841E+03 -1.0695E+05  2.0154E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.130p -1.0557E+05  0.0000E+00  3.0978E+03 -1.2401E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.363m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9701E+03 -1.0696E+05  2.0132E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.1772E+03 -1.2391E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4140 -1.0543E+05  1.9750E+03 -1.0697E+05  2.0149E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.140p -1.0559E+05  0.0000E+00  3.0966E+03 -1.2403E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.373m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9709E+03 -1.0696E+05  2.0132E+04 -1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.1766E+03 -1.2391E+05  1.2709E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4150 -1.0543E+05  1.9937E+03 -1.0698E+05  2.0212E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.150p -1.0558E+05  0.0000E+00  2.8421E+03 -1.2435E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.384m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9710E+03 -1.0696E+05  2.0141E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.1430E+03 -1.2396E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9770E+03 -1.0697E+05  2.0283E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.160p -1.0559E+05  0.0000E+00  2.5731E+03 -1.2468E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.394m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9690E+03 -1.0696E+05  2.0159E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0726E+03 -1.2405E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4170 -1.0542E+05  1.9692E+03 -1.0696E+05  2.0305E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.170p -1.0558E+05  0.0000E+00  2.4754E+03 -1.2479E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.404m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9698E+03 -1.0696E+05  2.0179E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9931E+03 -1.2415E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4180 -1.0542E+05  1.9559E+03 -1.0694E+05  2.0326E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.180p -1.0557E+05  0.0000E+00  2.3901E+03 -1.2488E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.415m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9701E+03 -1.0696E+05  2.0197E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9186E+03 -1.2424E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4190 -1.0542E+05  1.9545E+03 -1.0694E+05  2.0358E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.190p -1.0557E+05  0.0000E+00  2.2975E+03 -1.2500E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.425m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9702E+03 -1.0696E+05  2.0217E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8380E+03 -1.2434E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4200 -1.0542E+05  1.9468E+03 -1.0694E+05  2.0353E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.200p -1.0557E+05  0.0000E+00  2.3459E+03 -1.2494E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.435m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9660E+03 -1.0696E+05  2.0240E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.7506E+03 -1.2444E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4210 -1.0541E+05  1.9876E+03 -1.0696E+05  2.0277E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.210p -1.0557E+05  0.0000E+00  2.6295E+03 -1.2461E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.445m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9660E+03 -1.0695E+05  2.0256E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6915E+03 -1.2452E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4220 -1.0542E+05  1.9838E+03 -1.0697E+05  2.0170E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.220p -1.0558E+05  0.0000E+00  2.9997E+03 -1.2414E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.455m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9703E+03 -1.0696E+05  2.0260E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6712E+03 -1.2455E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4230 -1.0543E+05  1.9964E+03 -1.0699E+05  2.0120E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.230p -1.0559E+05  0.0000E+00  3.1912E+03 -1.2391E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.466m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9738E+03 -1.0696E+05  2.0256E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6815E+03 -1.2453E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9811E+03 -1.0697E+05  2.0135E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.240p -1.0558E+05  0.0000E+00  3.1289E+03 -1.2398E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.476m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9743E+03 -1.0696E+05  2.0255E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6847E+03 -1.2453E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4250 -1.0542E+05  1.9515E+03 -1.0694E+05  2.0131E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.250p -1.0558E+05  0.0000E+00  3.1150E+03 -1.2396E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.486m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9724E+03 -1.0696E+05  2.0250E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.7000E+03 -1.2451E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4260 -1.0541E+05  1.9698E+03 -1.0695E+05  2.0120E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.260p -1.0557E+05  0.0000E+00  3.1472E+03 -1.2392E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.497m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9697E+03 -1.0696E+05  2.0237E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.7463E+03 -1.2445E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4270 -1.0542E+05  1.9558E+03 -1.0694E+05  2.0179E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.270p -1.0557E+05  0.0000E+00  2.9634E+03 -1.2416E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.507m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9692E+03 -1.0696E+05  2.0222E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8017E+03 -1.2438E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4280 -1.0542E+05  1.9620E+03 -1.0695E+05  2.0206E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.280p -1.0557E+05  0.0000E+00  2.8816E+03 -1.2427E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.517m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9686E+03 -1.0695E+05  2.0211E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8474E+03 -1.2432E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4290 -1.0542E+05  1.9848E+03 -1.0697E+05  2.0179E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.290p -1.0558E+05  0.0000E+00  2.9526E+03 -1.2419E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.527m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9703E+03 -1.0696E+05  2.0196E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9055E+03 -1.2425E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4300 -1.0542E+05  1.9888E+03 -1.0697E+05  2.0194E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.300p -1.0558E+05  0.0000E+00  2.8820E+03 -1.2428E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.538m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9748E+03 -1.0696E+05  2.0178E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9688E+03 -1.2417E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4310 -1.0542E+05  1.9740E+03 -1.0696E+05  2.0244E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.310p -1.0557E+05  0.0000E+00  2.6992E+03 -1.2450E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.548m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9757E+03 -1.0696E+05  2.0168E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9981E+03 -1.2413E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9457E+03 -1.0695E+05  2.0318E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.320p -1.0559E+05  0.0000E+00  2.4450E+03 -1.2482E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.558m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9729E+03 -1.0696E+05  2.0175E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9713E+03 -1.2416E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4330 -1.0543E+05  1.9686E+03 -1.0697E+05  2.0319E+04 -1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.330p -1.0559E+05  0.0000E+00  2.4327E+03 -1.2485E+05  1.2729E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.568m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9693E+03 -1.0696E+05  2.0194E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8990E+03 -1.2425E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4340 -1.0543E+05  1.9775E+03 -1.0697E+05  2.0272E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.340p -1.0559E+05  0.0000E+00  2.5770E+03 -1.2467E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.579m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9678E+03 -1.0696E+05  2.0211E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8343E+03 -1.2433E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4350 -1.0542E+05  1.9563E+03 -1.0695E+05  2.0257E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.350p -1.0558E+05  0.0000E+00  2.6091E+03 -1.2460E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.589m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9683E+03 -1.0696E+05  2.0223E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.7840E+03 -1.2440E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4360 -1.0542E+05  1.9523E+03 -1.0694E+05  2.0305E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.360p -1.0558E+05  0.0000E+00  2.4607E+03 -1.2479E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.599m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9673E+03 -1.0696E+05  2.0239E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.7229E+03 -1.2447E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4370 -1.0542E+05  1.9783E+03 -1.0696E+05  2.0309E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.370p -1.0557E+05  0.0000E+00  2.4572E+03 -1.2481E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.609m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9671E+03 -1.0696E+05  2.0256E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6600E+03 -1.2455E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4380 -1.0542E+05  1.9699E+03 -1.0695E+05  2.0277E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.380p -1.0557E+05  0.0000E+00  2.5588E+03 -1.2467E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.619m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9696E+03 -1.0696E+05  2.0265E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6226E+03 -1.2460E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4390 -1.0542E+05  1.9705E+03 -1.0696E+05  2.0230E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.390p -1.0558E+05  0.0000E+00  2.7147E+03 -1.2447E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.630m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9686E+03 -1.0696E+05  2.0271E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.5938E+03 -1.2464E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9849E+03 -1.0698E+05  2.0198E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.400p -1.0559E+05  0.0000E+00  2.8445E+03 -1.2433E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.640m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9677E+03 -1.0696E+05  2.0273E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.5803E+03 -1.2465E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4410 -1.0543E+05  1.9968E+03 -1.0699E+05  2.0197E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.410p -1.0559E+05  0.0000E+00  2.8430E+03 -1.2434E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.650m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9690E+03 -1.0696E+05  2.0270E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.5888E+03 -1.2464E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4420 -1.0543E+05  1.9854E+03 -1.0697E+05  2.0262E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.420p -1.0558E+05  0.0000E+00  2.5976E+03 -1.2464E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.660m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9721E+03 -1.0696E+05  2.0265E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6032E+03 -1.2463E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4430 -1.0543E+05  1.9736E+03 -1.0697E+05  2.0279E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.430p -1.0559E+05  0.0000E+00  2.5248E+03 -1.2472E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.671m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9744E+03 -1.0697E+05  2.0260E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6163E+03 -1.2461E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4440 -1.0544E+05  1.9564E+03 -1.0697E+05  2.0300E+04 -1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.440p -1.0560E+05  0.0000E+00  2.4762E+03 -1.2479E+05  1.2727E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.681m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9734E+03 -1.0696E+05  2.0260E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6154E+03 -1.2461E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4450 -1.0544E+05  1.9579E+03 -1.0697E+05  2.0305E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.450p -1.0560E+05  0.0000E+00  2.4725E+03 -1.2480E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.691m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9719E+03 -1.0696E+05  2.0265E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6002E+03 -1.2463E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4460 -1.0544E+05  1.9812E+03 -1.0698E+05  2.0313E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.460p -1.0560E+05  0.0000E+00  2.4434E+03 -1.2485E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.701m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9742E+03 -1.0697E+05  2.0267E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5930E+03 -1.2464E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4470 -1.0544E+05  1.9832E+03 -1.0698E+05  2.0318E+04 -1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.470p -1.0559E+05  0.0000E+00  2.3796E+03 -1.2492E+05  1.2730E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.711m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9758E+03 -1.0697E+05  2.0267E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5904E+03 -1.2465E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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

 ------------------------------------------------------------------------------------------------------------------------
     4480 -1.0543E+05  1.9550E+03 -1.0696E+05  2.0366E+04 -1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.480p -1.0559E+05  0.0000E+00  2.1999E+03 -1.2512E+05  1.2732E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.722m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9752E+03 -1.0697E+05  2.0272E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5674E+03 -1.2468E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4490 -1.0543E+05  1.9955E+03 -1.0699E+05  2.0298E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.490p -1.0559E+05  0.0000E+00  2.4386E+03 -1.2485E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.732m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9757E+03 -1.0697E+05  2.0281E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5327E+03 -1.2472E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4500 -1.0544E+05  1.9959E+03 -1.0699E+05  2.0217E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.500p -1.0560E+05  0.0000E+00  2.7325E+03 -1.2448E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.742m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9778E+03 -1.0698E+05  2.0285E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5158E+03 -1.2474E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4510 -1.0543E+05  2.0105E+03 -1.0699E+05  2.0204E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.510p -1.0559E+05  0.0000E+00  2.7955E+03 -1.2440E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.752m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9782E+03 -1.0698E+05  2.0287E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5041E+03 -1.2476E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4520 -1.0543E+05  2.0144E+03 -1.0700E+05  2.0211E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.520p -1.0559E+05  0.0000E+00  2.7821E+03 -1.2443E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.762m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9809E+03 -1.0698E+05  2.0283E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5149E+03 -1.2475E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4530 -1.0543E+05  2.0071E+03 -1.0699E+05  2.0266E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.530p -1.0559E+05  0.0000E+00  2.6037E+03 -1.2465E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.773m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9841E+03 -1.0698E+05  2.0280E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5290E+03 -1.2473E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4540 -1.0543E+05  1.9873E+03 -1.0698E+05  2.0302E+04 -1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.540p -1.0559E+05  0.0000E+00  2.4705E+03 -1.2481E+05  1.2728E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.783m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0544E+05  1.9875E+03 -1.0698E+05  2.0280E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5309E+03 -1.2473E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4550 -1.0543E+05  1.9685E+03 -1.0696E+05  2.0266E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.550p -1.0559E+05  0.0000E+00  2.5624E+03 -1.2467E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.793m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9893E+03 -1.0698E+05  2.0278E+04 -1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5346E+03 -1.2473E+05  1.2726E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9727E+03 -1.0696E+05  2.0249E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.560p -1.0558E+05  0.0000E+00  2.6390E+03 -1.2457E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.803m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9897E+03 -1.0698E+05  2.0273E+04 -1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5509E+03 -1.2470E+05  1.2725E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4570 -1.0543E+05  1.9840E+03 -1.0697E+05  2.0213E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.570p -1.0558E+05  0.0000E+00  2.7457E+03 -1.2444E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.813m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9887E+03 -1.0698E+05  2.0264E+04 -1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.5781E+03 -1.2467E+05  1.2724E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4580 -1.0542E+05  1.9526E+03 -1.0694E+05  2.0263E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.580p -1.0557E+05  0.0000E+00  2.5735E+03 -1.2462E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.824m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9894E+03 -1.0698E+05  2.0253E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0559E+05  0.0000E+00  2.6182E+03 -1.2461E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4590 -1.0542E+05  1.9755E+03 -1.0696E+05  2.0233E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.590p -1.0557E+05  0.0000E+00  2.6897E+03 -1.2450E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.834m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9873E+03 -1.0698E+05  2.0245E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6481E+03 -1.2457E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4600 -1.0543E+05  1.9920E+03 -1.0697E+05  2.0181E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.600p -1.0558E+05  0.0000E+00  2.8687E+03 -1.2429E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.844m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9866E+03 -1.0697E+05  2.0240E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6666E+03 -1.2455E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4610 -1.0543E+05  1.9920E+03 -1.0697E+05  2.0189E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.610p -1.0558E+05  0.0000E+00  2.8615E+03 -1.2430E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.854m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9858E+03 -1.0697E+05  2.0237E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6783E+03 -1.2453E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4620 -1.0542E+05  1.9692E+03 -1.0695E+05  2.0203E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.620p -1.0557E+05  0.0000E+00  2.8092E+03 -1.2434E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.864m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9821E+03 -1.0697E+05  2.0237E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6802E+03 -1.2452E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4630 -1.0543E+05  2.0050E+03 -1.0698E+05  2.0209E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.630p -1.0558E+05  0.0000E+00  2.8224E+03 -1.2437E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.874m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9799E+03 -1.0697E+05  2.0234E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.6934E+03 -1.2451E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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

 ------------------------------------------------------------------------------------------------------------------------
     4640 -1.0542E+05  1.9639E+03 -1.0695E+05  2.0181E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.640p -1.0557E+05  0.0000E+00  2.8877E+03 -1.2424E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.885m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9787E+03 -1.0696E+05  2.0225E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.7248E+03 -1.2446E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4650 -1.0543E+05  1.9488E+03 -1.0694E+05  2.0136E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.650p -1.0558E+05  0.0000E+00  3.0448E+03 -1.2403E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.895m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9768E+03 -1.0696E+05  2.0211E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.7736E+03 -1.2440E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4660 -1.0543E+05  1.9665E+03 -1.0695E+05  2.0118E+04 -1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.660p -1.0558E+05  0.0000E+00  3.1505E+03 -1.2392E+05  1.2707E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.905m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9743E+03 -1.0696E+05  2.0199E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8195E+03 -1.2434E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4670 -1.0543E+05  2.0152E+03 -1.0699E+05  2.0084E+04 -1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.670p -1.0558E+05  0.0000E+00  3.3207E+03 -1.2376E+05  1.2708E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.916m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9768E+03 -1.0696E+05  2.0185E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.8771E+03 -1.2427E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4680 -1.0544E+05  2.0273E+03 -1.0700E+05  2.0096E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.680p -1.0558E+05  0.0000E+00  3.3006E+03 -1.2380E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.926m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9818E+03 -1.0696E+05  2.0171E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9420E+03 -1.2419E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4690 -1.0544E+05  1.9870E+03 -1.0698E+05  2.0119E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.690p -1.0559E+05  0.0000E+00  3.1945E+03 -1.2390E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.936m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9871E+03 -1.0697E+05  2.0156E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0061E+03 -1.2412E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4700 -1.0543E+05  1.9817E+03 -1.0697E+05  2.0137E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.700p -1.0558E+05  0.0000E+00  3.1128E+03 -1.2399E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.946m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9856E+03 -1.0697E+05  2.0149E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0389E+03 -1.2408E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4710 -1.0544E+05  1.9793E+03 -1.0697E+05  2.0147E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.710p -1.0559E+05  0.0000E+00  3.0719E+03 -1.2405E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.956m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9853E+03 -1.0697E+05  2.0145E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0618E+03 -1.2405E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9618E+03 -1.0695E+05  2.0171E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.720p -1.0558E+05  0.0000E+00  2.9910E+03 -1.2413E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.966m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9842E+03 -1.0697E+05  2.0141E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0813E+03 -1.2403E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4730 -1.0541E+05  1.9543E+03 -1.0693E+05  2.0200E+04 -1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.730p -1.0556E+05  0.0000E+00  2.8756E+03 -1.2425E+05  1.2713E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.976m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9805E+03 -1.0697E+05  2.0139E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0921E+03 -1.2401E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4740 -1.0541E+05  1.9898E+03 -1.0695E+05  2.0222E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.740p -1.0556E+05  0.0000E+00  2.8066E+03 -1.2436E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.987m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9796E+03 -1.0696E+05  2.0140E+04 -1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0928E+03 -1.2401E+05  1.2710E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4750 -1.0542E+05  2.0182E+03 -1.0698E+05  2.0206E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.750p -1.0556E+05  0.0000E+00  2.8557E+03 -1.2433E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.997m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9843E+03 -1.0696E+05  2.0147E+04 -1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0752E+03 -1.2404E+05  1.2711E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4760 -1.0543E+05  1.9898E+03 -1.0697E+05  2.0240E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.760p -1.0558E+05  0.0000E+00  2.7272E+03 -1.2448E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.007m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9905E+03 -1.0697E+05  2.0156E+04 -1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  3.0489E+03 -1.2408E+05  1.2712E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4770 -1.0543E+05  1.9900E+03 -1.0696E+05  2.0256E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.770p -1.0557E+05  0.0000E+00  2.6402E+03 -1.2458E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.018m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9888E+03 -1.0697E+05  2.0172E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0558E+05  0.0000E+00  2.9883E+03 -1.2415E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4780 -1.0543E+05  1.9627E+03 -1.0695E+05  2.0283E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.780p -1.0557E+05  0.0000E+00  2.5414E+03 -1.2469E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.028m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9844E+03 -1.0696E+05  2.0190E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.9160E+03 -1.2424E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4790 -1.0543E+05  1.9767E+03 -1.0696E+05  2.0275E+04 -1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.790p -1.0558E+05  0.0000E+00  2.5688E+03 -1.2467E+05  1.2723E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.038m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9803E+03 -1.0696E+05  2.0207E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.8461E+03 -1.2432E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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 -1.0543E+05  1.9760E+03 -1.0695E+05  2.0264E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.800p -1.0557E+05  0.0000E+00  2.6013E+03 -1.2462E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.048m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9803E+03 -1.0696E+05  2.0221E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7915E+03 -1.2439E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4810 -1.0543E+05  2.0109E+03 -1.0698E+05  2.0237E+04 -1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.810p -1.0557E+05  0.0000E+00  2.6937E+03 -1.2452E+05  1.2722E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.058m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9812E+03 -1.0696E+05  2.0232E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7472E+03 -1.2444E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4820 -1.0542E+05  1.9791E+03 -1.0695E+05  2.0263E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.820p -1.0556E+05  0.0000E+00  2.5903E+03 -1.2462E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.069m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9839E+03 -1.0696E+05  2.0241E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7079E+03 -1.2449E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4830 -1.0542E+05  1.9891E+03 -1.0695E+05  2.0222E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.830p -1.0556E+05  0.0000E+00  2.7208E+03 -1.2445E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.079m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0542E+05  1.9867E+03 -1.0696E+05  2.0247E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.6793E+03 -1.2453E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4840 -1.0543E+05  1.9680E+03 -1.0695E+05  2.0225E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.840p -1.0557E+05  0.0000E+00  2.7332E+03 -1.2444E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.089m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9872E+03 -1.0696E+05  2.0247E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.6699E+03 -1.2454E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4850 -1.0543E+05  1.9901E+03 -1.0697E+05  2.0205E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.850p -1.0558E+05  0.0000E+00  2.8234E+03 -1.2435E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.099m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9845E+03 -1.0696E+05  2.0247E+04 -1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.6650E+03 -1.2454E+05  1.2721E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4860 -1.0544E+05  1.9976E+03 -1.0697E+05  2.0184E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.860p -1.0558E+05  0.0000E+00  2.8893E+03 -1.2427E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.109m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9833E+03 -1.0696E+05  2.0244E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.6705E+03 -1.2453E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4870 -1.0543E+05  1.9966E+03 -1.0697E+05  2.0182E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.870p -1.0557E+05  0.0000E+00  2.8855E+03 -1.2427E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.120m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9849E+03 -1.0696E+05  2.0237E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.6949E+03 -1.2450E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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

 ------------------------------------------------------------------------------------------------------------------------
     4880 -1.0543E+05  1.9946E+03 -1.0697E+05  2.0212E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.880p -1.0557E+05  0.0000E+00  2.8059E+03 -1.2437E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.130m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9858E+03 -1.0696E+05  2.0230E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7174E+03 -1.2447E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4890 -1.0543E+05  2.0132E+03 -1.0698E+05  2.0219E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.890p -1.0557E+05  0.0000E+00  2.7806E+03 -1.2442E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.140m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9905E+03 -1.0696E+05  2.0223E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7438E+03 -1.2444E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4900 -1.0543E+05  1.9674E+03 -1.0695E+05  2.0256E+04 -1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.900p -1.0557E+05  0.0000E+00  2.6384E+03 -1.2456E+05  1.2720E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.150m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9911E+03 -1.0696E+05  2.0221E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7534E+03 -1.2443E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4910 -1.0543E+05  1.9877E+03 -1.0696E+05  2.0223E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.910p -1.0556E+05  0.0000E+00  2.7675E+03 -1.2441E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.160m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9892E+03 -1.0696E+05  2.0220E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7571E+03 -1.2442E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4920 -1.0543E+05  1.9880E+03 -1.0696E+05  2.0194E+04 -1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.920p -1.0557E+05  0.0000E+00  2.8709E+03 -1.2428E+05  1.2715E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.171m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9887E+03 -1.0696E+05  2.0215E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7775E+03 -1.2440E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4930 -1.0543E+05  1.9870E+03 -1.0696E+05  2.0210E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.930p -1.0557E+05  0.0000E+00  2.8222E+03 -1.2434E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.181m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9894E+03 -1.0696E+05  2.0211E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7993E+03 -1.2437E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4940 -1.0543E+05  1.9895E+03 -1.0695E+05  2.0231E+04 -1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.940p -1.0556E+05  0.0000E+00  2.7529E+03 -1.2443E+05  1.2719E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.191m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9896E+03 -1.0696E+05  2.0212E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.8018E+03 -1.2437E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4950 -1.0542E+05  1.9856E+03 -1.0695E+05  2.0207E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.950p -1.0556E+05  0.0000E+00  2.8210E+03 -1.2433E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.201m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9917E+03 -1.0696E+05  2.0212E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.8040E+03 -1.2437E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+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

 ------------------------------------------------------------------------------------------------------------------------
     4960 -1.0542E+05  2.0060E+03 -1.0696E+05  2.0210E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.960p -1.0555E+05  0.0000E+00  2.7997E+03 -1.2437E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.212m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9904E+03 -1.0696E+05  2.0213E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0557E+05  0.0000E+00  2.7985E+03 -1.2437E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4970 -1.0542E+05  2.0214E+03 -1.0697E+05  2.0209E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.970p -1.0556E+05  0.0000E+00  2.7950E+03 -1.2439E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.222m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9931E+03 -1.0696E+05  2.0216E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.7881E+03 -1.2439E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4980 -1.0543E+05  2.0039E+03 -1.0697E+05  2.0205E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.980p -1.0556E+05  0.0000E+00  2.8008E+03 -1.2437E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.232m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9948E+03 -1.0696E+05  2.0217E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.7860E+03 -1.2439E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     4990 -1.0543E+05  1.9957E+03 -1.0696E+05  2.0218E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   4.990p -1.0557E+05  0.0000E+00  2.7714E+03 -1.2441E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.242m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9937E+03 -1.0696E+05  2.0217E+04 -1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.7826E+03 -1.2439E+05  1.2718E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------
     5000 -1.0543E+05  2.0030E+03 -1.0697E+05  2.0172E+04 -1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.000p -1.0556E+05  0.0000E+00  2.9159E+03 -1.2422E+05  1.2714E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.253m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  rolling -1.0543E+05  1.9953E+03 -1.0696E+05  2.0212E+04 -1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 averages -1.0556E+05  0.0000E+00  2.8002E+03 -1.2437E+05  1.2717E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------


 run terminating. elapsed cpu time =   3.15166E+02, job time = *******d, 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 -1.0539E+05  1.9969E+03 -1.0684E+05  2.0321E+04 -1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.000p -1.0544E+05  0.0000E+00  2.8161E+03 -1.2435E+05  1.2716E+05  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
   5.255m  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  9.0000E+01  9.0000E+01  9.0000E+01  0.0000E+00  0.0000E+00

  r.m.s.   1.1065E+02  2.6255E+01  1.4011E+02  5.9040E+02  6.1225E+02  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
 fluctn.   1.4343E+02  0.0000E+00  2.6783E+03  3.2875E+03  6.1225E+02  0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00
           0.0000E+00  0.0000E+00  0.0000E+00  0.0000E+00  1.4390E-13  1.4390E-13  1.4390E-13  0.0000E+00  0.0000E+00
 ------------------------------------------------------------------------------------------------------------------------


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

            atom        D 
            Mg+        1.4408E-01
            O2-        1.0506E-01


                Average pressure tensor                                       r.m.s. fluctuations 

          -2.0655E+04  3.2070E+03 -8.7003E+03                          1.4235E+06  1.7185E+05  1.5906E+05
           3.2070E+03 -1.1910E+04  6.1355E+03                          1.7185E+05  1.4213E+06  1.8542E+05
          -8.7003E+03  6.1355E+03 -8.7451E+02                          1.5906E+05  1.8542E+05  1.4252E+06

            trace/3.  -1.1146E+04


 sample of final configuration

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


      1 -9.4111E-01 -9.0685E+00 -2.2383E+01 -1.1101E+00  6.3554E-01 -1.5753E+00 -1.9143E+04  8.9117E+03 -1.5921E+04
    272  3.0252E+00 -2.2703E+01 -7.4035E+00 -7.3733E+00 -3.2331E+01 -5.0245E+00  8.8963E+03 -4.2889E+03 -2.2135E+04
    543 -7.4620E-01 -2.2605E+01 -1.6631E+00 -1.3694E+01  1.0389E+01  5.9256E+00 -3.0936E+04  1.6633E+04  7.4778E+03
    814  7.7124E+00  2.0768E+01  9.0437E-01 -9.6085E+00 -1.2215E+01 -1.9998E+01 -5.7772E+03  1.5947E+04 -4.9347E+03
   1085  8.6710E+00  2.1214E+01  7.3352E+00  1.0279E+00  1.5982E+01  4.1173E-01 -1.1678E+04 -2.4002E+04  6.1277E+03
   1356 -3.4805E+00 -1.1453E+01 -2.0576E+01  9.3332E+00 -6.5730E+00  2.3936E+01 -2.1969E+04 -2.1700E+04  7.5971E+03
   1627  9.5713E+00 -3.0221E+00 -9.3237E+00  1.3429E+01  5.1074E+00 -5.7035E+00  2.5950E+04 -1.0304E+04 -1.1140E+04
   1898 -7.7377E+00  5.4412E+00 -3.2075E+00  2.9819E+00 -4.3236E+00 -1.3014E+01  1.1543E+04  2.7838E+02 -4.1755E+03
   2169  9.8591E+00 -3.3421E+00  3.2236E+00 -1.3502E+01 -1.4451E+01  3.4122E+00 -1.0932E+04  7.1227E+02  2.4704E+04
   2440 -1.2059E+01  5.5591E+00  9.2888E+00  1.5530E+01  3.4850E+00  3.1786E+00  2.9303E+03  3.4891E+03  1.9619E+04
   2711  5.6588E+00 -9.3519E+00 -2.0751E+01  3.3034E+00 -5.2800E+00  1.0931E+01 -3.9836E+02  2.5677E+04 -1.3331E+04
   2982  7.7404E+00 -3.1107E+00 -9.7253E+00 -1.4720E+01  5.6906E+00  7.7780E-02 -7.8699E+03 -8.6879E+03 -1.2725E+04
   3253 -5.4441E+00  5.3533E+00 -3.5010E+00 -2.0763E-01  5.2419E+00  1.5760E+00  1.8365E+04  2.8810E+04  5.5769E+03
   3524  7.1375E+00 -3.6049E+00  3.2993E+00 -5.5054E+00 -8.4884E+00 -7.1535E+00 -5.4687E+03  3.2248E+04 -4.1668E+02
   3795 -9.3550E+00  5.5391E+00  9.6052E+00 -3.0228E+00  1.0840E-01  3.7132E+00 -1.1142E+04 -1.5112E+04 -2.4271E+04
   4066 -3.1586E+00 -5.2607E+00 -2.2722E+01 -6.1894E+00  8.9830E+00  2.1191E+01  1.9454E+04  3.2876E+04 -3.0490E+03
   4337 -3.4312E+00 -1.7935E+01 -8.3784E+00 -1.9844E+00  8.5452E-02 -1.3689E+01 -2.4088E+02 -1.7885E+04  1.1077E+04
   4608  5.3911E+00 -2.2616E+01 -1.3683E+00 -7.8731E+00 -1.8129E+01 -2.0368E+00  7.9680E+03  7.3501E+03 -1.8164E+03
   4879 -2.6442E+00 -2.2882E+01  4.8863E+00  1.3513E+01 -2.5253E+00  1.3580E+01 -9.4934E+03 -1.4988E+04 -1.9747E+04
   5150 -4.6184E+00 -1.9157E+01  1.2760E+01 -5.4456E+00 -2.9001E+01 -1.5845E+01  1.0752E+04 -6.2899E+03 -1.1312E+04

 time elapsed since job start =         315.307 seconds

