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=12.893691053354612 stress="-1.826489351230487 -0.2283756580616301 -0.6297232759836907 -0.2283756580616301 -1.9127082583678627 0.22735488262533782 -0.6297232759836907 0.22735488262533782 -2.5293180131651916" pbc="F F T" P 0.29811016 0.07473240 -0.23989221 -11.10453103 -30.50374104 10.54077710 Fe 1.49582161 1.55926218 -0.27245549 25.33583590 16.75060257 14.64108645 Fe 1.73715536 0.02704010 1.27606892 11.51149756 -8.22965172 -1.88292510 P 0.20470050 1.27493780 1.62749873 -25.74280244 21.98279019 -23.29893845