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=-1.622062670915952 stress="0.09116962922617249 0.016152065510533015 0.007249910918493173 0.016152065510533015 0.13237442388373422 -0.06140862538205242 0.007249910918493173 -0.06140862538205242 0.11993431748939305" free_energy=-1.622062670915952 pbc="T T F"
H        0.05988540      -0.29754255       0.16431082       0.79569154      -2.41226935       2.44151323
H        1.31425730       1.48844065       0.03277713      -0.73993720       0.66269218       0.35003545
H        1.23068471      -0.12633864       1.46097674      -1.19487332      -0.95101283      -0.58574279
H        0.00805869       1.71813893       1.26716069       1.13911898       2.70059000      -2.20580589