108 Lattice="9.89564163465067 0.0 0.0 0.0 9.89564163465067 0.0 0.0 0.0 9.89564163465067" Properties=species:S:1:pos:R:3:forces:R:3 energy=-377.45323429628075 stress="-0.033166642836413 5.4657552608456054e-05 0.0009670049694930845 5.4657552608456054e-05 -0.03303903544925378 0.0005975639998491299 0.0009670049694930845 0.0005975639998491299 -0.03285002233219869" free_energy=-377.45323429628075 pbc="F F F" Fe 0.00582648 0.00277951 0.00980190 0.44063048 0.43809669 0.38708768 Fe 1.67794009 1.66558501 0.01821525 -0.51658304 0.27768407 -0.86576943 Fe 1.66234729 0.02249784 1.66339313 -0.58713195 -0.97672955 -0.17135704 Fe 0.02222268 1.68980164 1.64272470 -0.84720470 -0.81350992 0.22352331 Fe 3.27812885 0.03162385 0.02730839 0.39737777 -0.68506463 -0.78406940 Fe 4.94962427 1.67614727 0.01724626 -0.29315033 -0.77219776 -0.71742015 Fe 4.94075154 0.02328242 1.63454943 0.22465632 -0.57646963 0.68664729 Fe 3.27492353 1.62887215 1.66886850 1.61000544 1.68077427 0.22352046 Fe 6.62392000 0.01298952 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