4
Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=34.4672499586 stress="-19.952931918608044 0.2440263665606523 -0.44814765892854996 0.2440263665606523 -20.200902281313223 -0.09923381110586392 -0.44814765892854996 -0.09923381110586392 -21.219743829083345" pbc="T T T"
H      -0.12677182      -0.00903285      -0.03957767       7.19824475      -5.24827639      -0.73784849 
H       0.85035101       0.60171479      -0.04957417      -6.61331045       8.55292566       0.21387489 
H       0.74896774       0.14093619       0.75500596      -4.48783276      -5.84231865      -1.89888654 
H      -0.00773330       0.80085060       0.61646129       3.90289846       2.53766938       2.42286014