energy             :real:0:
 -1.4547201909453510E-03
gradient           :real:2:3,6
 -2.0628404254161763E-04 -4.1504614415460717E-20 -9.2111557120876233E-05
 -4.2909545323083367E-05 -3.9846816014700599E-05  4.6055778560438157E-05
 -4.2909545323083367E-05  3.9846816014700592E-05  4.6055778560438130E-05
  2.0628404254161755E-04  4.8704394467122269E-20 -9.2111557120876138E-05
  4.2909545323083414E-05 -3.9846816014700578E-05  4.6055778560438117E-05
  4.2909545323083380E-05  3.9846816014700518E-05  4.6055778560438062E-05
virial             :real:2:3,3
  1.6007852734184758E-03  3.9352290461597739E-20 -8.1304409588449643E-20
  4.4827812526392505E-20 -2.2988627160464039E-04  7.8774064094649932E-20
 -8.1307718310899855E-20  8.1315162936412833E-20 -2.0759378666858721E-04
