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=-6.4876854134044395 stress="-17.377893213205077 1.3786805464854137 10.043856314984762 1.3786805464854137 -12.893191141016406 3.8642595119151846 10.043856314984762 3.8642595119151846 -19.85898000319218" pbc="F F F" Fe -0.06786244 -0.04210664 -0.04844391 -1.06261124 -2.78028962 -2.07959431 Fe 1.27041603 1.69178619 0.17895518 7.78061953 6.46718324 -11.65371299 Fe 1.79140871 0.11455359 1.46999024 5.12825873 -5.62230011 1.56675240 Fe 0.14904689 1.28091226 1.60609294 -11.84626702 1.93540648 12.16655490