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=-4.768628080398664 stress="0.4045509808791126 -0.03346189864529102 0.00035865849454457037 -0.03346189864529102 0.22606796272188664 0.1354421345225925 0.00035865849454457037 0.1354421345225925 0.429509915526611" free_energy=-4.768628080398664 pbc="F F T"
H        0.16458309       0.18739928       0.21501819       0.66046976       2.11866594       2.46679554
C        1.44820945       1.66685013      -0.09192977      -6.62376145      -1.48514198      -0.21501135
O        1.43954667       0.15854856       1.47446207      -1.67823684       2.12438415       0.13995481
C        0.12784281       1.58169919       1.31122734       7.64152853      -2.75790811      -2.39173900