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=-0.6853665435389016 stress="0.12591778624963232 0.06106556278361064 0.04627501955408003 0.06106556278361064 0.11777363005620968 -0.010954241385076948 0.04627501955408003 -0.010954241385076948 0.07752206239669963" free_energy=-0.6853665435389016 pbc="T F F"
H        0.26120756       0.01193751       0.25226748       0.73418418       0.39141214       0.88647684
H        1.48447750       1.54396501       0.07236142       0.01176771      -1.04907447       0.83413470
H        1.70379337       0.23854596       1.26922180       0.42256224       2.00089611      -1.25855498
H       -0.21770305       1.52031036       1.68745344      -1.16851413      -1.34323377      -0.46205656