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=-7.014455456715913 stress="-1.0353868074129622 -15.737605134906989 3.8215978027006656 -15.737605134906989 -18.678662244098163 24.84381457019718 3.8215978027006656 24.84381457019718 -22.752633244113717" pbc="F F F" Fe -0.04293576 0.34042677 -0.26856905 -3.16116328 -1.43568634 -0.50507036 Fe 1.71736445 0.99180203 0.20384132 8.05310660 22.39229577 -18.48486798 C 1.29224623 -0.11198823 1.40436572 -11.26664049 -16.80768525 22.23310024 C 0.25551247 1.18671223 1.49188881 6.37469717 -4.14892419 -3.24316190