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=-6.58570146802953 stress="0.10589385059125339 -0.06312813636356994 -0.1081044487692563 -0.06312813636356994 0.5506517646643271 -0.15252361629476557 -0.1081044487692563 -0.15252361629476557 -0.16197937846235821" free_energy=-6.58570146802953 pbc="T T T"
O       2.70072272       0.04737131       0.03238783      -4.66292753       0.59101006       6.77274301 
H       1.74404962       1.36810690       0.09428644       2.42554212      -3.21249691      -1.17469192 
C       1.25818085       0.09119645       1.29640878      -5.70065078      -0.14501141      -3.97074018 
C       0.21456242       1.77913633       1.35263676       7.93803618       2.76649827      -1.62731091