108 Lattice="10.730029800113067 0.0 0.0 0.0 10.730029800113067 0.0 0.0 0.0 10.730029800113067" Properties=species:S:1:pos:R:3:forces:R:3 energy=-363.16062607864006 stress="-0.006936293698842126 -0.00025822717040597 0.0004910593424231315 -0.00025822717040597 -0.0065523622902494225 -0.00048762532728871874 0.0004910593424231315 -0.00048762532728871874 -0.006843893427680155" free_energy=-363.16062607864006 pbc="F F F" Fe 0.00457551 0.01067369 0.02769638 0.35377801 0.33643426 0.38518616 Fe 1.75796849 1.81935827 0.00092121 0.09807667 -0.28715900 -0.21310953 Fe 1.80342678 0.01490241 1.80326208 -0.30863258 -0.25543702 -0.37638002 Fe 0.01771015 1.82375670 1.77778934 -0.32662622 -0.30564410 -0.18524817 Fe 3.59407978 0.00612409 0.02057502 -0.05092354 0.18725918 0.10155472 Fe 5.37425601 1.81662268 0.02849552 -0.05045431 -0.35410645 -0.26384903 Fe 5.35170430 0.00183788 1.81759072 0.08718697 -0.05192651 -0.17996705 Fe 3.55051271 1.77931958 1.78788920 0.19980972 -0.09861528 -0.18049345 Fe 7.12454866 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7.12166035 8.95798246 8.92053331 0.22454238 -0.21983514 -0.07894961