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=-0.12686850446839784 stress="0.04382276598110475 0.010132575588068116 0.049829231728746724 0.010132575588068116 0.044569978534188426 -0.028055537433252304 0.049829231728746724 -0.028055537433252304 0.05485070143832605" free_energy=-0.12686850446839784 pbc="T F F"
H       0.13661615       0.11041876       0.08611608       1.26545767       0.18340051       1.02478361 
H       1.23712138       1.42684102       0.29668373      -0.16612190      -0.97981190       0.37135088 
H       1.27290972       0.05835534       1.24645637      -1.02271222       0.70899602      -1.53004336 
H       2.96646770       1.52171985       1.70070203      -0.07662355       0.08741537       0.13390887