energy             :real:0:
 -5.6306322671911932E-04
gradient           :real:2:3,6
 -8.3218239663795376E-05  6.3527471044072525E-22 -4.7866539293697568E-05
 -1.2705584770594550E-05 -1.7749316830324243E-05  2.3933269646848770E-05
 -1.2705584770594548E-05  1.7749316830324250E-05  2.3933269646848770E-05
  8.3218239663795376E-05  2.8375603733019061E-20 -4.7866539293697534E-05
  1.2705584770594550E-05 -1.7749316830324250E-05  2.3933269646848770E-05
  1.2705584770594543E-05  1.7749316830324230E-05  2.3933269646848750E-05
virial             :real:2:3,3
  8.6217529640232235E-04  1.1762094720197777E-20  5.0623453488245294E-21
  1.1480853311929748E-20 -1.0240025873453454E-04  2.3425754947501744E-20
  6.7564112433331300E-21  3.7878254610028243E-20 -1.0787784353335299E-04
