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=-31.716767615180835 stress="-2.646515258267712 -0.7727253910488207 -0.2174805832668767 -0.7727253910488207 -2.272021513265242 0.9078764030467757 -0.2174805832668767 0.9078764030467757 -2.2724885766717215" pbc="T T F" Fe 0.06504129 -0.29134056 0.22277084 13.58682310 30.89803742 -23.61414638 Fe 1.68584377 1.68362810 0.19581920 -19.62727396 -13.03234143 -22.60782185 Fe 1.64685009 0.42259636 1.67626233 -12.61819495 -11.87337742 11.28343945 Fe -0.14597521 1.70996341 1.49207130 18.65864581 -5.99231857 34.93852878