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=-6.3968210159458705 stress="-9.252325914507157 0.026146168381481094 -1.7390375638847262 0.026146168381481094 -13.727309898922014 -4.530984596797477 -1.7390375638847262 -4.530984596797477 -13.201573298207189" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -3.67543365 -6.89661689 -7.75466403 Fe 1.70960170 1.31143450 0.04092907 2.79144570 2.35576269 -1.94124851 Fe 1.28829595 -0.16490224 1.64041416 2.74456127 -2.67737637 4.03118538 Fe -0.22187219 1.51878885 1.32834452 -1.86057331 7.21823056 5.66472716