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=0.5752031405957296 stress="-1.223893328332298 0.010107310473413234 -0.034089206101568736 0.010107310473413234 -1.1287651614974694 0.010361268498469633 -0.034089206101568736 0.010361268498469633 -1.1798866953268883" pbc="F F F"
H      -0.14801295      -0.02432459       0.06329927      -0.48159653      -0.35106514      -0.45064345 
H       1.43745442       1.27846858      -0.00548572       0.36195101       0.42430667      -0.37758729 
H       1.34126820      -0.15859300       1.31668137       0.45160316      -0.47689479       0.40560158 
H      -0.08013605       1.24396547       1.59073906      -0.33195764       0.40365326       0.42262916