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=13.404466311407857 stress="-65.86066138438161 5.357771470902616 4.8469842922494735 5.357771470902616 -60.76290479571503 -0.9126502333697104 4.8469842922494735 -0.9126502333697104 -69.81858487530047" pbc="F F F" Fe 0.18584377 0.18362810 0.19581920 -18.59559631 -18.09146958 -30.51817222 Fe 1.64685009 1.76959405 0.17626233 22.81642240 16.44894560 -23.72547591 Fe 1.35402479 0.20996341 1.49207130 26.96627794 -24.42572288 26.30885525 Fe 0.15300231 1.53848316 1.45774659 -31.18710403 26.06824686 27.93479288