energy             :real:0:
 -1.9692323146095901E-04
gradient           :real:2:3,3
 -2.3783303398526630E-26  2.0222730669937425E-20 -5.7711750100425773E-05
  2.3737066300476509E-26 -2.3174601112101097E-05  2.8855875050212856E-05
  4.6237098050121890E-29  2.3174601112101086E-05  2.8855875050212920E-05
virial             :real:2:3,3
  3.7543803651215482E-08  3.0812901179043426E-24 -9.3287752273148987E-29
  3.0805503243362296E-24 -6.6811665692966362E-05  1.0164188571898466E-20
 -6.8700282601249222E-29  1.6622788945318364E-20 -6.5053155990565451E-05
