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=-5.8153850694036135 stress="-20.375333662384286 2.6041521556380682 9.45597972119159 2.6041521556380682 -14.432400575864305 0.6804999343556482 9.45597972119159 0.6804999343556482 -25.18884533357931" pbc="F F F" Fe -0.00548572 -0.15873180 0.02506416 -4.35331667 -4.33503123 -1.35801599 Fe 1.31668137 1.41986395 -0.25603453 10.60162869 3.28980005 -15.10259131 Fe 1.59073906 0.27219963 1.43381326 4.94245759 -4.86280166 5.65989932 Fe 0.13132919 1.75978669 1.22592512 -11.19076961 5.90803284 10.80070798