108 Lattice="9.895641142245879 0.0 0.0 0.0 9.895641142245879 0.0 0.0 0.0 9.895641142245879" Properties=species:S:1:pos:R:3:forces:R:3 energy=-377.6395416171029 stress="-0.030281382908755594 -0.001556253772001907 0.0006665982099795026 -0.001556253772001907 -0.03122480603442679 0.0026108021446380586 0.0006665982099795026 0.0026108021446380586 -0.03135391598613207" free_energy=-377.6395416171029 pbc="F F F" Fe 0.02378233 0.03206434 0.02580237 -0.25162655 -0.41687521 -0.35423063 Fe 1.66840386 1.62834718 0.02937961 -0.27430542 1.17552239 -0.96289460 Fe 1.63031723 0.01228334 1.67552665 0.70187490 -0.91634968 -0.00526949 Fe 0.02513923 1.64438872 1.64218054 -1.07221244 0.86334813 0.92397488 Fe 3.27378629 0.01986616 0.00074842 -0.03555562 -0.93128882 -0.36137486 Fe 4.91906395 1.63503890 0.01198240 0.57039342 0.84407370 -0.94373514 Fe 4.91802420 0.02244828 1.62603790 0.79455079 -0.83013483 0.80578165 Fe 3.29151096 1.63947869 1.64910321 -0.31649916 1.29266890 1.25422272 Fe 6.59981780 0.04062723 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0.35472597 0.37462445 0.49881355