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=-0.2873410581617086 stress="0.10694991736793173 0.0032085243650836486 -0.03278485660263698 0.0032085243650836486 0.022417046450797173 0.010299345153412664 -0.03278485660263698 0.010299345153412664 0.08754821664716646" free_energy=-0.2873410581617086 pbc="F T T"
H       0.16513684       0.24624097       0.14302402       0.89347006       0.60178065       0.87858687 
H       1.35498893       1.42468589       0.20947124      -1.92523776      -0.32863812       1.44179453 
H       1.34356916       0.08558427       1.31305857      -0.49325691       0.25372750      -0.71853795 
H       0.15488783       1.55988540       1.20245745       1.52502461      -0.52687004      -1.60184345