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=3.045853537675945 stress="-2.950765639545236 0.43291018076979537 -0.5973424138981264 0.43291018076979537 -2.9845376340308376 -0.3137446405127748 -0.5973424138981264 -0.3137446405127748 -2.9869230775081377" pbc="T T T" Fe -0.14459490 0.11115480 0.11044915 19.54876425 -22.07797973 -6.16926550 Fe 1.70960170 1.31143450 0.04092907 -32.80155530 20.15986197 -13.53348872 Fe 1.35333724 0.05786860 1.64041416 -4.42044464 -6.88300228 -1.82510435 Fe -0.22187219 1.51878885 1.32834452 17.67323569 8.80112004 21.52785857