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=-0.20082187721039502 stress="0.09958955913908496 -0.045238514948094284 0.05194987190991977 -0.045238514948094284 0.16629596895008397 0.08183309723315395 0.05194987190991977 0.08183309723315395 0.12611291357116544" free_energy=-0.20082187721039502 pbc="T F T"
H       0.29169807       0.03851086       0.14982991       1.16489156       1.60094256       1.67069045 
H       1.24795387       1.32929456       2.54094367      -0.13939960      -1.38215857      -1.46422989 
H       1.39476746       0.28095696       1.32464588      -2.53123854       2.20216309       0.03941782 
H       0.26008946       1.37675974       1.09002915       1.50574657      -2.42094708      -0.24587838