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=0.8441526284651404 stress="-1.6264923809889265 0.2832584846412024 0.06530683600562992 0.2832584846412024 -1.3589918265192642 0.02891145707039966 0.06530683600562992 0.02891145707039966 -1.466129319232592" pbc="F F F"
H       0.23171545       0.18190327      -0.17816502      -0.38827497      -0.36449476      -0.50631834 
H       1.71219253       1.42485375       0.12990665       0.51239074       0.46743212      -0.40634795 
H       1.28220450       0.28278197       1.56210000       0.74504045      -0.85791267       0.54485086 
H       0.13362859       1.32702941       1.57034430      -0.86915622       0.75497531       0.36781544