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=16.92142615917234 stress="-4.157382176624932 -1.35206498620266 -0.41069830779881705 -1.35206498620266 -3.641404764833225 1.6792081080854913 -0.41069830779881705 1.6792081080854913 -3.5375153714148877" pbc="T T F" Fe 0.06504129 -0.29134056 0.22277084 22.26202996 53.74571634 -38.08775765 Fe 1.68584377 1.68362810 0.19581920 -33.35283896 -20.83372761 -34.02719608 Fe 1.64685009 0.42259636 1.67626233 -21.10650034 -22.39478993 16.61472120 Fe -0.14597521 1.70996341 1.49207130 32.19730934 -10.51719881 55.50023253