energy             :real:0:
 -1.9692034143702197E-04
gradient           :real:2:3,3
  0.0000000000000000E+00  8.4685200149530436E-22 -5.7727190242378787E-05
  0.0000000000000000E+00 -2.3171441501140560E-05  2.8863595121189353E-05
  0.0000000000000000E+00  2.3171441501140570E-05  2.8863595121189441E-05
virial             :real:2:3,3
  0.0000000000000000E+00  0.0000000000000000E+00  0.0000000000000000E+00
  0.0000000000000000E+00 -6.6840927672075960E-05 -2.2236682816956766E-21
  0.0000000000000000E+00 -2.2764243102006602E-20 -6.5050501754232857E-05
