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=-0.08607058507639716 stress="0.041113880263318546 -0.023132079998943143 -0.006973557192290159 -0.023132079998943143 0.058361602320114676 -0.039198617648972034 -0.006973557192290159 -0.039198617648972034 0.0700840175637341" free_energy=-0.08607058507639716 pbc="F F T"
H       0.25716336       0.23110688       2.99816022       0.21389927       0.90755214      -1.61903862 
H       1.51283276       1.49295964       2.82858036      -0.12342350      -0.14875320      -0.11643108 
H       1.37935771       0.08983369       1.71257671      -0.77370349       0.57223077       0.44431927 
H       0.13004604       1.21321713       1.71736445       0.68322772      -1.33102971       1.29115043