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=-3.273025434971994 stress="-8.276602684497151 -3.0811887128811426 -2.6860270519182023 -3.0811887128811426 -26.253548241682044 -21.485924298781462 -2.6860270519182023 -21.485924298781462 -27.171836187326214" pbc="F F F" Fe -0.22958397 0.19178619 0.17895518 -4.65389271 -20.64410306 -21.35259697 Fe 1.64339576 1.59022900 0.09583508 2.49637495 1.35939114 -2.04913833 Fe 1.58650132 -0.12834868 1.53990620 1.96171348 -1.99787223 1.20094311 Fe -0.03396003 1.30598025 1.32157598 0.19580428 21.28258415 22.20079219