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=-44.94357643818883 stress="-8.921754547603976 -0.49696692345457727 -1.365067176609818 -0.49696692345457727 -16.427011123815547 -7.124423319986677 -1.365067176609818 -7.124423319986677 -15.399051486075777" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -3.73875408 -9.25414020 -9.41034138 Fe 1.70960170 1.18822856 0.04092907 3.01900430 2.60688204 -2.07873436 Fe 1.28829595 -0.16490224 1.64041416 2.23786163 -2.53152133 4.04411519 Fe -0.22187219 1.51878885 1.32834452 -1.51811186 9.17877950 7.44496055