180 Lattice="8.53092759847641 0.0 0.0 0.0 8.53092759847641 0.0 0.0 0.0 56.8728506565094" Properties=species:S:1:pos:R:3:forces:R:3 energy=-698.2615185834751 stress="0.006748520813359734 9.880536940585738e-08 -9.217676265850077e-07 9.880536940585738e-08 0.006748500644387238 8.974355422155656e-07 -9.217676265850077e-07 8.974355422155656e-07 -1.1947331357291135e-07" free_energy=-698.2615185834751 pbc="T T F" Fe -0.01875248 0.22254537 13.41619035 -0.00000290 0.00000667 -0.00000110 Fe 1.40306457 1.64531906 15.50204634 -0.00000286 0.00000821 0.00000049 Fe -0.01875833 -0.11957539 17.05210119 -0.00000281 0.00000154 -0.00000181 Fe 1.40304244 1.43608480 18.51812431 -0.00000239 0.00000081 -0.00000157 Fe -0.01873618 -0.01452873 19.89744227 -0.00000270 0.00000229 0.00000165 Fe 1.40297762 1.41723181 21.36006456 -0.00000149 0.00000024 0.00000213 Fe -0.01869767 -0.01011681 22.74272584 -0.00000206 0.00000093 -0.00000200 Fe 1.40283883 1.41588556 24.19815643 -0.00000086 -0.00000054 -0.00000164 Fe 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