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=11.441887264868019 stress="-1.5246517393008747 0.12594550705041108 0.05625400284185012 0.12594550705041108 -1.4571685839549844 0.020203541537901094 0.05625400284185012 0.020203541537901094 -1.272963317838587" pbc="T F F" Fe -0.14801295 0.06329927 0.09073906 9.95569017 -17.18342100 -11.81668174 Fe 1.77219963 1.43381326 0.13132919 -10.91433438 15.33529550 -11.56974879 Fe 1.75978669 0.18365717 1.70288723 -9.32940750 -14.42945883 12.15077101 Fe 0.08343331 1.29585403 1.44809454 10.28805171 16.27758433 11.23565952