108 Lattice="10.926748882238336 0.0 0.0 0.0 10.926748882238336 0.0 0.0 0.0 10.926748882238336" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.4558317024309 stress="-0.004802413945451041 7.280329771890458e-05 0.00011075209146849941 7.280329771890458e-05 -0.0047948106346212 -0.0003598198736043177 0.00011075209146849941 -0.0003598198736043177 -0.004427776417503723" free_energy=-348.4558317024309 pbc="F F F" Fe 0.02599559 0.03635450 0.01102961 0.10591749 0.12240203 0.15569544 Fe 1.79747993 1.80522448 0.00826666 0.12158353 0.12727572 -0.38299302 Fe 1.80906586 0.02163080 1.79457530 0.04196419 -0.35242133 0.04650474 Fe 0.02753870 1.84828579 1.78519906 -0.39889972 -0.04968254 0.10064611 Fe 3.66928102 0.05764551 0.01898857 -0.13997993 -0.09092591 -0.06734956 Fe 5.44898971 1.82756526 0.00345404 0.14214836 0.13141740 -0.25045389 Fe 5.42996739 0.02871167 1.82070212 0.12645986 -0.26946457 0.04915083 Fe 3.66323507 1.85708559 1.79248328 -0.15749730 0.00223036 0.22732516 Fe 7.27744616 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