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=-0.9692155209049932 stress="0.17657487684844905 -0.02815803106730872 0.03999379610318566 -0.02815803106730872 0.14824117672527262 -0.04837184763428183 0.03999379610318566 -0.04837184763428183 0.16028381019084328" free_energy=-0.9692155209049932 pbc="T T F"
H       0.16431082       2.81425730       0.03277713       1.06467827       0.53335005       1.42952882 
H       1.39971974       1.37366136       0.21813893      -0.35385754      -1.67261124       2.34265607 
H       1.26716069       0.19410236       1.33096497      -1.53524822       2.37509159      -2.55439039 
H       2.88201197       1.20997019       1.22002482       0.82442749      -1.23583040      -1.21779449