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=-1.6785693943033415 stress="4.550180497891454 -0.5362387923281003 0.31735252114411683 -0.5362387923281003 4.7414547731719265 -0.2477912637437929 0.31735252114411683 -0.2477912637437929 4.286936392650741" pbc="F F F"
H      -0.12320595      -0.04105180       0.20259391       1.76102424       1.20233204       1.04188512 
H       1.56504129       1.20865944      -0.13449789      -1.29368151      -1.06676355       1.52026430 
H       1.28802619       0.22277084       1.68584377      -2.01261630       2.15393023      -1.89947797 
H       0.18362810       1.69581920       1.64685009       1.54527357      -2.28949872      -0.66267145