ChemShell DL_POLY                                                       
 ENERGY UNITS = kjoule/mol
         0  0.000000E+00        46
  8.806163E+07  2.851500E+02  8.804029E+07  9.133733E+07 -3.297045E+06
  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  4.559080E+08
  2.851500E+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  1.787253E+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  1.795506E+03  1.901742E+01  1.505864E+00
  1.901742E+01  1.772001E+03  7.410430E+00  1.505864E+00  7.410430E+00
  1.794253E+03
