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=0.2548736019523916 stress="-0.0002761230108657207 0.008537675031617982 0.013044439416453333 0.008537675031617982 0.007666795544876453 0.025402692536734574 0.013044439416453333 0.025402692536734574 0.021211276049424025" free_energy=0.2548736019523916 pbc="T T T"
H       0.06482696       2.84620060       0.01821382       0.06294949       0.09502452       0.21419037 
H       1.26366956       1.46963223       0.24088140      -0.00843060       0.70195034       0.43385023 
H       1.33261867       2.83226600       1.23049600      -0.23015070      -0.87068593      -0.63004898 
H       0.30919187       1.45631248       1.74843919       0.17563181       0.07371106      -0.01799162