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=-7.69863024062066 stress="0.31783134728325907 -0.021092769100395276 -0.06689606255848173 -0.021092769100395276 0.3909897270001351 0.20938441926370216 -0.06689606255848173 0.20938441926370216 0.24298304890532174" free_energy=-7.69863024062066 pbc="F T T"
O       0.28148913       0.05210001       2.96864501       2.81045035      -1.97417359      -6.92565364 
H       1.48294625       1.70473275       0.14361619      -0.24429508       0.25518223      -0.40473400 
C       1.23594820       0.17823572       1.58352372      -8.55551417       0.30563409       2.50487135 
C       0.26111147       1.72232616       1.75747068       5.98935890       1.41335726       4.82551630