108 Lattice="10.730030715650996 0.0 0.0 0.0 10.730030715650996 0.0 0.0 0.0 10.730030715650996" Properties=species:S:1:pos:R:3:forces:R:3 energy=-363.23244104128025 stress="-0.006283605843933894 -0.000617151604475321 -0.00017157980417383128 -0.000617151604475321 -0.006008745857064269 0.00018203054727615066 -0.00017157980417383128 0.00018203054727615066 -0.0058375433844774964" pbc="F F F" Fe 0.00162804 0.01793441 0.02528461 0.26736951 0.26616109 0.27300585 Fe 1.79308819 1.76640912 0.02025794 -0.25357117 0.00324204 -0.26652653 Fe 1.76170786 0.01893060 1.80412346 0.08318477 -0.46233413 -0.27155133 Fe 0.00774122 1.77273257 1.81018687 -0.38935253 0.10076445 -0.29526173 Fe 3.57973008 0.00023005 0.02739191 -0.02371728 0.08101317 0.06365331 Fe 5.35996408 1.82389553 0.00887884 0.12036047 -0.39181782 -0.20819944 Fe 5.35550631 0.00795100 1.79632540 0.08878698 -0.21772337 -0.14646459 Fe 3.55978903 1.78955383 1.76185927 0.11941963 -0.00265308 0.27962411 Fe 7.17784217 0.01121730 0.02256535 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