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=-3.88610197321 stress="-8.950020399690468 -0.7986322286659576 -3.6508515653266613 -0.7986322286659576 -7.495491591428795 -1.5249961953652829 -3.6508515653266613 -1.5249961953652829 -8.016566863044307" pbc="F F F" Fe 0.07327937 0.19989723 0.12961200 -19.27335024 -15.53496428 -18.31455849 Fe 1.37425859 1.65720406 -0.23435154 7.03672299 8.73547603 -3.61290321 Fe 1.38507600 0.29768454 1.48273691 18.33374211 -4.48716730 15.37381629 Fe -0.13934333 1.67089611 1.47011124 -6.09711486 11.28665556 6.55364541