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=-1.1329082642698283 stress="0.09483873694838671 0.036664800941659574 0.04609381411933819 0.036664800941659574 0.14578529168153478 -0.08164284375258687 0.04609381411933819 -0.08164284375258687 0.1433130257129082" free_energy=-1.1329082642698283 pbc="T F T"
H        0.29391194       0.20210255      -0.09136166       0.44329373       0.64503556       0.29163979
H        1.68220204       1.39362841       0.23573857       0.36527660      -2.53811140       2.68177108
H        1.62719421       0.22083292       1.28984966       0.36435430       2.68118810      -2.19535254
H       -0.01264569       1.42299150       1.40698366      -1.17292464      -0.78811226      -0.77805833