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=-1.7052184794397023 stress="-1.6072294776613472 0.20687414356196834 -0.34344264927523427 0.20687414356196834 -1.630151597048178 -0.1282182821041581 -0.34344264927523427 -0.1282182821041581 -1.3751583788433732" pbc="T T F" Fe 0.18584377 0.18362810 0.19581920 -8.91530000 -3.56309767 -19.17662386 Fe 1.64685009 1.68811563 0.17626233 1.95194511 0.64372930 -9.64941186 Fe 1.35402479 0.20996341 1.49207130 15.26239505 -6.10487158 16.43714073 Fe 0.15300231 1.53848316 1.45774659 -8.29904016 9.02423995 12.38889500