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=9.64378020481893 stress="-31.836549211179854 -1.5078926684207223 -0.3585600112115497 -1.5078926684207223 -32.57134149780544 -2.3900202780181736 -0.3585600112115497 -2.3900202780181736 -33.118829646746235" pbc="F F F" Fe 0.26959405 0.17626233 -0.14597521 -9.47284342 -13.01318293 -16.33885875 Fe 1.70996341 1.49207130 0.15300231 12.73306699 12.92390201 -7.38599851 Fe 1.53848316 -0.04225341 1.41852158 7.89579674 -10.80575800 11.63627672 Fe -0.04210664 1.38825682 1.27041603 -11.15602031 10.89503892 12.08858053