4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.23968035629035664 stress="0.1076282646925832 0.003033123831793314 -0.03330098522025972 0.003033123831793314 0.021577290066417062 0.010395222221389942 -0.03330098522025972 0.010395222221389942 0.08759132760664286" free_energy=-0.23968035629035664 pbc="F T F"
H        0.16513684       0.24624097       0.14302402       0.90591182       0.60515465       0.83843067
H        1.35498893       1.42468589       0.20947124      -1.92833033      -0.33372294       1.41181791
H        1.34356916       0.08558427       1.31305857      -0.50565005       0.26281618      -0.67620363
H        0.15488783       1.55988540       1.20245745       1.52806856      -0.53424789      -1.57404495