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=-13.820897584353734 stress="0.19015851715515908 -0.008466046475631546 -0.06728206653849571 -0.008466046475631546 0.02117130612396987 0.08413996165659447 -0.06728206653849571 0.08413996165659447 0.10967626971498912" free_energy=-13.820897584353734 pbc="T F T" O 0.20352043 0.04765730 0.26267270 0.54107660 -1.61708224 1.97280520 C 1.62136930 1.67504889 0.11860870 -1.91328422 3.77499518 -2.55200620 H 1.50230811 0.18739928 1.43975670 -0.75729259 2.17712102 -0.63773401 V 2.94820945 1.66685013 1.37201292 2.12950022 -4.33503397 1.21693501