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=20.448559991018154 stress="-2.697517697252627 -0.7696294962423086 -0.20205231739504068 -0.7696294962423086 -2.9134414170713447 0.7220137016685176 -0.20205231739504068 0.7220137016685176 -2.5826691531053028" pbc="T T F" Fe -0.13449789 -0.21197381 0.22277084 21.69823341 29.12154738 -26.15770501 Fe 1.68584377 1.68362810 0.19581920 -27.59352062 -14.92807167 -25.52876440 Fe 1.64685009 0.42259636 1.67626233 -15.04507883 -10.21179251 18.66739022 Fe -0.14597521 1.70996341 1.49207130 20.94036604 -3.98168321 33.01907919