108 Lattice="10.749460958474923 0.0 0.0 0.0 10.749460958474923 0.0 0.0 0.0 10.749460958474923" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1409.3938452596772 stress="-0.006875879354175553 3.941087263986542e-05 0.00015151501889212044 3.941087263986542e-05 -0.007082911035187821 -0.0005892594976144135 0.00015151501889212044 -0.0005892594976144135 -0.00662651866687247" free_energy=-1409.3938452596772 pbc="F F F" Fe 0.01720983 0.03337701 0.03146070 0.50162223 0.47282965 0.47607929 Fe 1.81707781 1.77195944 0.00556621 -0.44309776 -0.14522839 -0.26752300 Fe 1.76409773 0.02612576 1.81815223 -0.04607207 -0.28417048 -0.38312957 Fe 0.02657482 1.82690198 1.76257435 -0.33568243 -0.45257342 -0.13866997 Fe 3.56207633 0.02226668 0.03367328 0.10098981 0.17157180 0.23497180 Fe 5.39739310 1.79882467 0.02322489 -0.29615522 -0.32941863 -0.26027629 Fe 5.35364493 0.02255334 1.81368387 0.13720878 -0.16887143 -0.33176973 Fe 3.55624304 1.81662872 1.80640045 0.10858480 -0.44925598 -0.17274798 Fe 7.14055511 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