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=-0.06602658300726888 stress="-0.009373092489033872 0.017600486881460337 -0.0034588914743055987 0.017600486881460337 0.08052172245300142 -0.08951897691982322 -0.0034588914743055987 -0.08951897691982322 0.07223430885829397" free_energy=-0.06602658300726888 pbc="F T F"
H       0.23212867       2.75294705       0.17871475      -0.34536406      -2.18026906       2.02173588 
H       1.68614004       1.49950323       0.20275190       0.23924094      -0.09391757      -0.17186922 
H       1.41795129       2.79061752       1.66928039      -0.06800997      -0.12155849       0.15240602 
H       0.15093924       1.64803915       1.26416454       0.17413309       2.39574511      -2.00227268