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=-0.7332013360823465 stress="0.04621899158495179 0.006545059516600836 0.04058795401346006 0.006545059516600836 0.04858700374805977 -0.04749125000913259 0.04058795401346006 -0.04749125000913259 0.055254357916398794" free_energy=-0.7332013360823465 pbc="T F T"
H       0.27219963       0.13132919       0.44168996       1.39013911       0.41261732       0.44572358 
H       1.22592512       1.28504734       0.18365717       0.01760130      -1.48381532       1.25847178 
H       1.52472220       0.29562584       1.22070778      -1.43509978       0.89228519      -1.79229842 
H       2.73029905       1.54797433       1.64732614       0.02735937       0.17891281       0.08810306