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=-0.6659168708801099 stress="0.14835960622772834 0.0740729953471308 0.02769732637136662 0.0740729953471308 0.11863360633977074 -0.000664784320005602 0.02769732637136662 -0.000664784320005602 0.08667120043694869" free_energy=-0.6659168708801099 pbc="T F F"
H        0.31847822       0.09995250       0.26120756       0.13955188       0.80952581       0.83923577
H        1.53209504       1.63197526       0.32108029       0.83601958      -0.51640837       0.95617850
H        1.57236142       0.20379337       1.73854596       1.97246502       1.91505394      -0.62666464
H       -0.23077820       1.28229695       1.52031036      -2.94803648      -2.20817138      -1.16874962