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=-5.72521478091 stress="-2.2307265911085743 -0.9821446833795844 0.009090586753365276 -0.9821446833795844 -2.4656466357531333 -0.36065543560745533 0.009090586753365276 -0.36065543560745533 -1.7635018912160294" pbc="F F F" Fe 0.24122900 0.02201293 -0.18365652 -5.31522513 -6.42826012 -3.87103202 Fe 1.42534241 1.48566276 0.04553795 6.10781464 6.28381795 -1.23650267 Fe 1.54192192 -0.26665195 1.52132027 2.09794170 -1.66846337 1.81733172 Fe -0.04556260 1.26172667 1.55332204 -2.89053121 1.81290554 3.29020297