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=-6.71969130791327 stress="-6.845641167238895 -3.041928074879144 0.5929926273103368 -3.041928074879144 -10.616252350012942 -1.6829471936087108 0.5929926273103368 -1.6829471936087108 -6.7670628182038755" pbc="F F F" Fe -0.12280496 -0.20130994 0.11041876 -3.29632260 -5.94330172 -2.27790119 Fe 1.26735611 1.33533445 -0.25851365 3.02582214 3.55527978 -2.17233168 Fe 1.58611608 0.03369179 1.52598936 1.43915745 -0.82293012 1.67046916 Fe -0.27670350 1.46375436 1.40583543 -1.16865698 3.21095205 2.77976371