energy             :real:0:
 -1.1225461598835193E-03
gradient           :real:2:3,6
 -1.0676369571713723E-04  3.8226342551548214E-21 -3.4121191208208081E-05
 -2.6275259262210674E-05 -8.9052005845065023E-06  1.7060595604104020E-05
 -2.6275259262210674E-05  8.9052005845065057E-06  1.7060595604104020E-05
  1.0676369571713723E-04  6.9880218148479778E-21 -3.4121191208208061E-05
  2.6275259262210674E-05 -8.9052005845064938E-06  1.7060595604104027E-05
  2.6275259262210670E-05  8.9052005845064820E-06  1.7060595604104020E-05
virial             :real:2:3,3
  7.8275660495669304E-04 -3.3558717451276333E-21 -3.3889589696297544E-21
 -5.0364959546822473E-21 -5.1376334799458045E-05  1.1434944787933055E-20
 -3.3906133308548604E-21 -4.2351647362715017E-21 -7.6899658522322877E-05
