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=23.31538435099614 stress="-2.435582709209854 -0.4492650449576552 -0.1897408798181917 -0.4492650449576552 -2.952372994479913 0.2515653067421706 -0.1897408798181917 0.2515653067421706 -2.216092195841764" pbc="F T F" Fe 0.04852473 0.01848935 0.13661615 -31.21092884 -2.80097025 -26.30586836 Fe 1.40480033 1.28303047 0.11041876 20.66065805 7.09281382 -22.11505182 Fe 1.26735611 -0.16466555 1.24148635 31.61303971 2.26176055 28.18809091 Fe 0.08611608 1.53369179 1.52598936 -21.06276892 -6.55360411 20.23282927