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=-0.42591351230725777 stress="0.031078062574764923 0.005019602107673694 0.00202242994709046 0.005019602107673694 0.05992078621733765 0.008169113557427698 0.00202242994709046 0.008169113557427698 0.0785237012634688" free_energy=-0.42591351230725777 pbc="T F F"
H       0.07236142       0.20379337       0.23854596       0.70997473       0.85700174       0.86222581 
H       1.26922180       1.28229695       0.02031036      -0.49310749      -0.57396091       1.07603287 
H       1.41870456       0.15631834       1.14400037      -0.53263573       0.54507255      -0.73317122 
H       0.27711528       1.37871118       1.25213077       0.31576850      -0.82811338      -1.20508746