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=-1.8590572678891653 stress="-2.414067942306539 0.23029144763678566 -0.07229088112380336 0.23029144763678566 -2.3433772194316127 -0.1811523346873967 -0.07229088112380336 -0.1811523346873967 -2.4608070959282573" pbc="T T T" Fe 0.11042859 0.20947124 -0.14487149 -1.05542499 -11.87119950 -2.28357563 Fe 1.55280714 1.41333883 -0.15344509 -6.99411733 5.69897939 -3.35713400 Fe 1.52730018 -0.17769156 1.41049160 -7.25925351 5.09496547 -1.06900191 Fe -0.27713580 1.43858073 1.25205420 15.30879584 1.07725465 6.70971154