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=3.317870375917531 stress="-1.6809199105202468 -0.5689912520670928 -0.14830040334223932 -0.5689912520670928 -1.761828647316921 0.38741304230258417 -0.14830040334223932 0.38741304230258417 -1.4279269934692518" pbc="F T F" Fe 0.04852473 0.05473499 0.13661615 -23.34330834 -6.85416342 -16.02901018 Fe 1.40480033 1.10049154 0.11041876 16.12877583 14.88670050 -15.57703250 Fe 1.26735611 -0.16466555 1.24148635 19.67302829 -3.83135592 20.26916267 Fe 0.08611608 1.53369179 1.52598936 -12.45849579 -4.20118116 11.33688001