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=-0.8289135185622702 stress="0.1020645626301482 0.05501388574182557 0.012083439416960958 0.05501388574182557 0.10938540850467462 -0.043569315962304185 0.012083439416960958 -0.043569315962304185 0.12608174283718143" free_energy=-0.8289135185622702 pbc="F F T"
H        0.21211731       0.29594673       0.15710459       1.67968564       2.42716399      -0.58479422
H        1.49042854       1.35687199      -0.02335587      -1.79460014      -1.76768638       0.41013878
H        1.74122900       0.02201293       1.31634348      -0.26058791       0.39073008      -0.48374050
H        0.04376171       1.22051529       1.69273990       0.37550241      -1.05020769       0.65839594