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=-1.7052182216132314 stress="-1.607229034022051 0.20687709183287412 -0.34344527345831954 0.20687709183287412 -1.6301368557408908 -0.12823152957668452 -0.34344527345831954 -0.12823152957668452 -1.375146585477408" pbc="T T F" Fe 0.18584377 0.18362810 0.19581920 -8.91529999 -3.56309767 -19.17662385 Fe 1.64685009 1.68811563 0.17626233 1.95189125 0.64345746 -9.64916988 Fe 1.35402479 0.20996341 1.49207130 15.26244890 -6.10459975 16.43689875 Fe 0.15300231 1.53848316 1.45774659 -8.29904016 9.02423995 12.38889498