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=-0.681952358378721 stress="0.13348204224022703 0.007287846231753789 -0.021531721795625892 0.007287846231753789 0.10571800485030214 0.025424545405641298 -0.021531721795625892 0.025424545405641298 0.1405561764969836" free_energy=-0.681952358378721 pbc="F F T"
H       0.04376171       0.19273990       2.80722932       1.65497803       0.89839167      -1.02592934 
H       1.26172667       1.55332204       2.88436473      -1.30986118      -1.50949823      -1.43258593 
H       1.44432401       0.23019720       1.70071341      -1.52102779       1.21695161       1.59729095 
H       0.14720807       1.58942344       1.45706424       1.17591094      -0.60584506       0.86122432