500 Lattice="16.52052109131324 0.0 0.0 0.0 16.52052109131324 0.0 0.0 0.0 16.52052109131324" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1833.855158147051 stress="-0.028886478286079733 -0.0005213451935743824 2.447692372616062e-05 -0.0005213451935743824 -0.0290973359443853 0.0002817157711155912 2.447692372616062e-05 0.0002817157711155912 -0.028542166242847725" free_energy=-1833.855158147051 pbc="F F F" Fe 0.01063236 0.04573017 0.00897816 -0.33074344 -0.47228179 -0.03297451 Fe 1.62913856 1.63501649 0.02985470 0.58724569 0.88977889 -0.73809329 Fe 1.65408137 0.01758286 1.65109293 0.62421974 -1.25038143 0.29411912 Fe 0.00131159 1.63349751 1.67517345 -0.56845630 1.22912025 -0.05319439 Fe 3.32571168 0.01411977 0.00912645 -0.56203171 -0.31418526 -0.69466904 Fe 4.97908970 1.64361550 0.02316660 -0.25072554 0.63875635 -0.62298115 Fe 4.93530580 0.00017987 1.63351724 0.48992141 -0.57238541 0.81913977 Fe 3.29792798 1.62410050 1.65296564 0.26233631 1.36547201 1.09899220 Fe 6.61897964 0.03028575 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