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=-1.59849265644891 stress="3.020166701682525 0.24883878695949854 -0.22831188272990877 0.24883878695949854 4.879385089684411 0.8201997412965727 -0.22831188272990877 0.8201997412965727 4.2259847370992345" pbc="F F F"
H      -0.28095614       0.00082602       0.24624097       0.84776127       2.24608720       1.87210339 
H       1.64302402       1.35498893       0.11042859      -1.02376465      -1.17742949       1.51642465 
H       1.70947124      -0.14487149       1.55280714      -0.60388666       1.23829791      -1.13069898 
H      -0.08666117       1.34655491       1.37241235       0.77989004      -2.30695561      -2.25782906