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=-0.7830704559958608 stress="0.09812582192340812 0.0017109062541134082 -0.005473876042781087 0.0017109062541134082 0.16051671466324904 -0.06862964313889716 -0.005473876042781087 -0.06862964313889716 0.14360718731825614" free_energy=-0.7830704559958608 pbc="F T F"
H       0.26235339       2.84838096       0.21005355       0.81736371      -1.38009973       1.92776719 
H       1.71211731       1.44968690       0.29594673      -1.06199289      -0.30748038       1.64497876 
H       1.65710459       2.99042854       1.35687199      -0.78014682       0.30739182      -1.63327079 
H       0.24122900       1.52201293       1.31634348       1.02477600       1.38018829      -1.93947516