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=0.04317433174561928 stress="0.00953261878480842 0.006859205032943147 -0.01941861865007541 0.006859205032943147 -0.0029523915461015207 -0.0005124658918804507 -0.01941861865007541 -0.0005124658918804507 0.01857666645207337" free_energy=0.04317433174561928 pbc="T F F"
H       -0.03568003       0.04396501       0.07236142      -0.04451630       0.03195602       0.06641472
H        1.43504449       1.73854596       0.02031036      -0.37462573      -0.05261009       0.34522698
H        1.68745344       0.02015752       1.37970777       0.08083092      -0.10400671       0.01600327
H        0.27711528       1.37871118       1.25213077       0.33831111       0.12466078      -0.42764497