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:Z:I:1:forces:R:3 energy=-1.4040129131897163 pbc="T F F"
H       0.05988540      -0.29754255       0.16431082        1      -1.90437162      -0.89450113      -2.52233798 
H       1.14522227       1.48844065       0.03277713        1       1.86942121       0.37522576      -2.87166474 
H       1.39971974      -0.24432667       1.46097674        1       1.36552581      -0.03272719       2.66341560 
H      -0.21780693       1.71813893       1.26716069        1      -1.33057540       0.55200256       2.73058712