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=-1.2130727386254483 stress="3.287739559753845 0.18162492414283005 -0.4859055747322616 0.18162492414283005 3.694010172300578 1.2778046183940406 -0.4859055747322616 1.2778046183940406 3.974167888198427" pbc="F F F"
H      -0.10028026      -0.12633864      -0.03902326       0.79024756       1.90800050       1.81236913 
H       1.28219307       1.71813893      -0.23283931      -1.08182306      -0.77982788       1.01975353 
H       1.69410236      -0.16903503       1.38201197      -1.02314299       0.53036214      -0.47107354 
H      -0.06699407       1.22002482       1.27696427       1.31471849      -1.65853476      -2.36104912