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=-1.031239079118897 stress="0.006550630015029765 -0.028675047687709825 0.027164381172772537 -0.028675047687709825 -0.26355441285356535 0.003893993757570668 0.027164381172772537 0.003893993757570668 -0.30861408703287996" free_energy=-1.031239079118897 pbc="F T T" Fe 0.06013337 0.16039283 0.22960442 -0.21681944 -1.90600196 0.00066196 O 1.70352043 1.48741401 0.42952283 -0.36201470 0.09301460 -0.09948248 H 1.62136930 0.17504889 1.49062162 0.24533396 0.29590382 -0.39853322 Fe 0.16519792 1.45779895 1.68739928 0.33350018 1.51708355 0.49735374