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=-3.70833737906077 stress="-25.243041082561778 3.421463241616308 12.857469720094471 3.421463241616308 -17.782220707049344 1.0728464266414957 12.857469720094471 1.0728464266414957 -31.890423929825126" pbc="F F F" Fe -0.00548572 -0.15873180 0.02506416 -5.09621450 -5.22016309 -1.32828471 Fe 1.31668137 1.41986395 -0.25603453 13.61379859 4.09037309 -19.47695115 Fe 1.59073906 0.27219963 1.43381326 5.76168309 -6.15604447 6.88487023 Fe 0.13132919 1.75978669 1.22592512 -14.27926717 7.28583447 13.92036563