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=-1.4124236456416195 stress="0.14341924388858657 0.073399862428105 -0.03776132110718437 0.073399862428105 0.1395930070265353 0.018616497599296317 -0.03776132110718437 0.018616497599296317 0.09301800428175058" free_energy=-1.4124236456416195 pbc="F T T"
H       0.18745344       0.02015752       2.87970777       0.80154283      -1.15130757      -1.89055286 
H       1.73172470       1.37871118       2.75213077      -0.34611728       0.39624151      -0.51427899 
H       1.23125112       2.71824351       1.63616082      -3.05394549      -2.31495247       1.77262823 
H       0.12968218       1.71980528       1.79977655       2.59851994       3.07001853       0.63220363