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=-7.7922953955397265 stress="-8.1134524467629 -0.7620492312582643 -0.03030411291121382 -0.7620492312582643 -11.212950347387945 1.0880986424949253 -0.03030411291121382 1.0880986424949253 -10.463479631840066" pbc="F F F" Fe -0.12280496 -0.20130994 0.11041876 -2.51704869 -5.13889889 -1.71855193 Fe 1.26735611 1.33533445 -0.25851365 2.14215310 4.44758164 -4.65900909 Fe 1.58611608 0.33244006 1.52598936 2.78782258 -2.85288651 4.02002135 Fe -0.27670350 1.46375436 1.40583543 -2.41292699 3.54420376 2.35753966