DL_POLY BENCHMARK 1: 19652 ATOM AL SYSTEM                                       
 ENERGY UNITS=kjoule/mol 
       100  5.000000E-01        37
  2.610344E+04  2.999550E+02 -4.741033E+04 -4.741033E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.894760E+04
  0.000000E+00 -4.150495E+04 -4.150495E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.327590E+00  5.674151E+00  1.333463E+00  6.216629E-03
  8.201185E-03  6.216629E-03  1.323086E+00  3.705540E-03  8.201185E-03
  3.705540E-03  1.326219E+00
       200  1.000000E+00        37
  2.594127E+04  2.999516E+02 -4.757167E+04 -4.757167E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.631168E+04
  0.000000E+00 -3.408534E+04 -3.408534E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.275331E+00  1.853198E+01  1.269747E+00 -7.790626E-04
  2.231439E-03 -7.790626E-04  1.277902E+00 -1.474289E-02  2.231439E-03
 -1.474289E-02  1.278345E+00
       300  1.500000E+00        37
  2.577581E+04  2.999537E+02 -4.773764E+04 -4.773764E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.610744E+04
  0.000000E+00 -3.396797E+04 -3.396797E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.274512E+00  3.519942E+01  1.270267E+00  1.122446E-02
  8.321620E-03  1.122446E-02  1.267551E+00 -6.493444E-03  8.321620E-03
 -6.493444E-03  1.285718E+00
       400  2.000000E+00        37
  2.598030E+04  2.999479E+02 -4.753173E+04 -4.753173E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.711422E+04
  0.000000E+00 -3.637773E+04 -3.637773E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.291461E+00  5.396589E+01  1.280479E+00 -4.035718E-03
  1.784877E-02 -4.035718E-03  1.309695E+00  6.333731E-03  1.784877E-02
  6.333731E-03  1.284209E+00
       500  2.500000E+00        37
  2.604767E+04  2.999511E+02 -4.746516E+04 -4.746516E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.718874E+04
  0.000000E+00 -3.639756E+04 -3.639756E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.291612E+00  7.357877E+01  1.282814E+00  1.203319E-02
 -7.652838E-04  1.203319E-02  1.302044E+00 -1.689532E-02 -7.652838E-04
 -1.689532E-02  1.289977E+00
       600  3.000000E+00        37
  2.586999E+04  2.999521E+02 -4.764308E+04 -4.764308E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.653541E+04
  0.000000E+00 -3.497009E+04 -3.497009E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.281563E+00  9.365573E+01  1.282468E+00  8.350144E-03
 -5.011978E-04  8.350144E-03  1.278177E+00  1.604978E-03 -5.011978E-04
  1.604978E-03  1.284045E+00
       700  3.500000E+00        37
  2.590704E+04  2.999500E+02 -4.760550E+04 -4.760550E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.659898E+04
  0.000000E+00 -3.505075E+04 -3.505075E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.282124E+00  1.140963E+02  1.271146E+00  1.003472E-03
  7.722181E-03  1.003472E-03  1.282530E+00 -4.271093E-03  7.722181E-03
 -4.271093E-03  1.292696E+00
       800  4.000000E+00        37
  2.603477E+04  2.999495E+02 -4.747767E+04 -4.747767E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.720315E+04
  0.000000E+00 -3.648025E+04 -3.648025E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.292189E+00  1.351393E+02  1.298662E+00 -7.647638E-03
  1.550154E-02 -7.647638E-03  1.291327E+00  3.706788E-03  1.550154E-02
  3.706788E-03  1.286577E+00
       900  4.500000E+00        37
  2.591224E+04  2.999509E+02 -4.760053E+04 -4.760053E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.693975E+04
  0.000000E+00 -3.605697E+04 -3.605697E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.289213E+00  1.561931E+02  1.286745E+00 -1.862556E-02
  5.041198E-03 -1.862556E-02  1.280290E+00  5.537470E-04  5.041198E-03
  5.537470E-04  1.300603E+00
      1000  5.000000E+00        37
  2.583633E+04  2.999543E+02 -4.767727E+04 -4.767727E+04  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  8.666203E+04
  0.000000E+00 -3.544992E+04 -3.544992E+04  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  7.757716E+05  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.284950E+00  1.774750E+02  1.291932E+00 -1.609308E-02
  9.071731E-03 -1.609308E-02  1.286031E+00  9.465436E-03  9.071731E-03
  9.465436E-03  1.276886E+00
