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=25.636030844240373 stress="-3.2419358307783313 -0.2842582793199984 1.4017703114360327 -0.2842582793199984 -4.913066736959324 -0.28841760025484103 1.4017703114360327 -0.28841760025484103 -5.879941224089989" pbc="F T T" Fe 0.27711528 -0.12128882 -0.24786923 -56.24226687 -13.10489403 48.88967144 Fe 1.23125112 1.21824351 0.20944019 29.48683905 22.89602812 -0.69410401 Fe 1.26429260 0.32957941 1.71980528 60.95440831 -14.46224560 -37.42120833 Fe 0.29977655 1.68543805 1.58422142 -34.19898050 4.67111151 -10.77435910