108 Lattice="10.864194485981077 0.0 0.0 0.0 10.864194485981077 0.0 0.0 0.0 10.864194485981077" Properties=species:S:1:pos:R:3:forces:R:3 energy=-385.12686374938926 stress="-0.004773137532937454 0.0003893967249267524 -7.11325640631849e-05 0.0003893967249267524 -0.004639428617282059 0.0004966929999688106 -7.11325640631849e-05 0.0004966929999688106 -0.005087147726556897" free_energy=-385.12686374938926 pbc="F F F" Fe 0.00629129 0.00284619 0.00853295 0.29625879 0.23958006 0.31151426 Fe 1.78038237 1.80876687 0.02181979 0.24100738 -0.22394488 -0.15284789 Fe 1.81453830 0.02138957 1.83707587 -0.22877611 -0.22368326 -0.32496750 Fe 0.02052580 1.77715394 1.81658743 -0.20780973 0.18000579 -0.07807771 Fe 3.62477391 0.00919575 0.06442484 -0.17553342 0.02217264 -0.02391660 Fe 5.40956925 1.79560684 0.01172602 0.09969963 0.09941592 -0.24743808 Fe 5.44553707 0.00839017 1.78443098 0.00056505 -0.25345099 0.16961655 Fe 3.63913764 1.80082518 1.82628550 -0.17356267 0.15827624 -0.16293398 Fe 7.27128307 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