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=-1.69717136286553 stress="0.1297445849576271 -0.08920359933742188 -0.043537922960706105 -0.08920359933742188 0.19125133434843322 -0.045045241839004165 -0.043537922960706105 -0.045045241839004165 0.08588097067766101" free_energy=-1.69717136286553 pbc="T T F"
H       0.05988540       2.70245745       0.16431082       0.05866339      -2.47976372       1.75768304 
H       1.31425730       1.48844065       0.03277713      -0.70564920       0.89015394       0.24537930 
H       1.59382210       2.87366136       1.46097674       1.90479158      -2.16594063      -0.39952196 
H       2.61315804       1.71813893       1.26716069      -1.25780577       3.75555041      -1.60354038