ChemShell DL_POLY                                                       
 ENERGY UNITS = kjoule/mol
         0  0.000000E+00        39
  8.721016E+07  2.931500E+02  8.718823E+07  9.047665E+07 -3.288420E+06
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  4.505292E+08
  0.000000E+00 -1.089913E+09 -1.093202E+09  3.288420E+06  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  3.372976E+06  0.000000E+00
  0.000000E+00  0.000000E+00  9.000000E+01  9.000000E+01  9.000000E+01
  0.000000E+00  1.765256E+03  0.000000E+00  0.000000E+00  0.000000E+00
  1.771976E+03  2.608077E+01 -3.447327E+00  2.608077E+01  1.748726E+03
  1.159459E+01 -3.447327E+00  1.159459E+01  1.775067E+03
