ChemShell DL_POLY                                                       
 ENERGY UNITS = kjoule/mol
         0  0.000000E+00        46
  8.806223E+07  2.931500E+02  8.804029E+07  9.133733E+07 -3.297045E+06
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  4.559090E+08
  2.931500E+02 -1.103496E+09 -1.103579E+09  3.297045E+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  1.787255E+03  0.000000E+00  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
  0.000000E+00  0.000000E+00  1.795508E+03  1.901742E+01  1.505854E+00
  1.901742E+01  1.772002E+03  7.410432E+00  1.505854E+00  7.410432E+00
  1.794255E+03
