energy             :real:0:
 -8.9506957990851386E-04
gradient           :real:2:3,6
 -1.6163371829771539E-04 -3.5998900258307764E-21 -3.2311979036538149E-05
 -3.0903158827948161E-05 -9.0047581027947503E-06  1.6155989518269075E-05
 -3.0903158827948161E-05  9.0047581027947520E-06  1.6155989518269078E-05
  1.6163371829771539E-04 -4.6375053862172944E-20 -3.2311979036538014E-05
  3.0903158827948147E-05 -9.0047581027946859E-06  1.6155989518269000E-05
  3.0903158827948161E-05  9.0047581027947333E-06  1.6155989518269024E-05
virial             :real:2:3,3
  1.3511695143285463E-03 -2.0205954413139084E-20  1.9476794703173590E-20
 -2.6982217991173486E-20 -5.1950707082579712E-05 -5.0127145120713477E-20
  2.9641190070225194E-20 -5.4775900163261493E-20 -7.2822198349643298E-05
