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=-1.0720950493886923 stress="0.18183137875693395 -0.08204190810459283 -0.050444852167381565 -0.08204190810459283 0.14123744963510784 -0.025594752238171876 -0.050444852167381565 -0.025594752238171876 0.11547676234314061" free_energy=-1.0720950493886923 pbc="F T F"
H        0.17089611      -0.02988876       0.26235339       1.27658168      -0.98552888       0.81216527
H        1.34838096       1.71005355       0.21211731      -2.87101396       0.67265095       1.87940311
H        1.44968690       0.29594673       1.65710459      -1.35793999       1.15940309      -0.54751743
H        0.24122900       1.44735534       1.31634348       2.95237227      -0.84652517      -2.14405095