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=0.04754832991599424 stress="-0.0131406385150629 -0.0014810917711096294 -6.148496015664551e-05 -0.0014810917711096294 -0.003018650062199266 0.010035447378965787 -6.148496015664551e-05 0.010035447378965787 -0.006107287213160326" free_energy=0.04754832991599424 pbc="F T T"
H        0.13616082      -0.23570740       0.12968218      -0.16267959       0.06285776      -0.00112005
H        1.71980528       1.79977655       0.48312259       0.11419075       0.13087321       0.13220888
H        1.45460942       0.07327937       1.69989723       0.13153027      -0.12719713      -0.15741181
H        0.12961200       1.37425859       1.63994097      -0.08304144      -0.06653384       0.02632298