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=-3.0548869233820497 stress="-25.925359513574406 8.657444952542178 1.3734244395129096 8.657444952542178 -20.59259545207289 0.8345711082115024 1.3734244395129096 0.8345711082115024 -16.966164973403654" pbc="F F F" Fe 0.03369179 0.02598936 -0.27670350 -5.64232872 -3.94152333 -4.61535710 Fe 1.46375436 1.40583543 -0.24440284 4.06558671 6.71475754 -5.71801328 Fe 1.20178472 0.29874826 1.27290972 15.40804799 -14.14485055 6.34615489 Fe -0.11909813 1.36136659 1.55835534 -13.83130598 11.37161634 3.98721549