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=-5.989024816707609 stress="0.3946165472517445 -0.16047984061218198 -0.15268071575313613 -0.16047984061218198 0.3514248501625527 -0.11243685514311569 -0.15268071575313613 -0.11243685514311569 0.33559854442623815" free_energy=-5.989024816707609 pbc="T F F"
H       -0.16694881       0.09738049       0.22124088      -1.50860991       1.36002398      -0.48000459
C        1.32277070       1.22223741       0.01481847      -1.49366679      -3.18675476       6.51689931
O        1.61112250       0.24957118       1.50272178      -1.54292392       6.88373180      -3.27516688
C        0.21931608       1.47200325       1.49539387       4.54520061      -5.05700102      -2.76172784