500 Lattice="18.236930345865655 0.0 0.0 0.0 18.236930345865655 0.0 0.0 0.0 18.236930345865655" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1918.3379207194755 stress="-0.002691098904341344 -0.0003249647509170303 3.628769371899164e-05 -0.0003249647509170303 -0.002995029036452254 -0.00018620273358964666 3.628769371899164e-05 -0.00018620273358964666 -0.0028221556673945066" free_energy=-1918.3379207194755 pbc="F F F" Fe 0.02141838 0.00767410 0.01026410 0.37966515 0.39572696 0.35950031 Fe 1.81925019 1.83849688 0.00271182 -0.04907452 -0.12826089 0.18535268 Fe 1.79874725 0.03376863 1.84356268 0.02682803 -0.13020410 -0.24939338 Fe 0.00602711 1.80265663 1.85779298 0.03306387 0.08349524 -0.27204524 Fe 3.59612412 0.02843832 0.03085655 0.09579424 0.10440659 0.20390353 Fe 5.45289996 1.80714423 0.00481473 0.02140047 0.10423797 0.06795922 Fe 5.47533997 0.02699105 1.83555459 -0.03917638 -0.20624336 -0.28148699 Fe 3.66895499 1.78768264 1.85328584 -0.27579935 0.35579336 -0.40413261 Fe 7.25875410 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