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=-32.059994764632975 stress="-1.994034319039881 -0.47565730782238597 -0.22930828782473783 -0.47565730782238597 -2.181063673262466 0.27973841678329564 -0.22930828782473783 0.27973841678329564 -1.763479349391105" pbc="F T F" Fe 0.04852473 0.01848935 0.13661615 -25.74195153 -2.61909672 -21.08743374 Fe 1.40480033 1.28303047 0.11041876 15.33725432 7.39765870 -17.86569551 Fe 1.26735611 -0.16466555 1.24148635 27.63727566 2.53048986 24.51477208 Fe 0.08611608 1.53369179 1.52598936 -17.23257845 -7.30905184 14.43835717