256 Lattice="13.208251190185551 0.0 0.0 0.0 13.208251190185551 0.0 0.0 0.0 13.208251190185551" Properties=species:S:1:pos:R:3:forces:R:3 energy=-923.5284333301761 stress="-0.028314473390883867 0.0003908957011317433 -0.0010367017536328069 0.0003908957011317433 -0.030006866042151012 -0.0015615265591711004 -0.0010367017536328069 -0.0015615265591711004 -0.02925261527344632" free_energy=-923.5284333301761 pbc="F F F" Fe 0.01378593 0.00124293 0.00138553 0.13881738 0.16768401 0.16797223 Fe 1.66964550 1.62951747 0.01361082 -0.27263476 1.28820671 -0.61562201 Fe 1.64617598 0.00521410 1.65459629 0.41725123 -0.88573240 0.70554009 Fe 0.02686223 1.63651409 1.66527173 -0.73468637 0.90441535 -0.08836251 Fe 3.27544607 0.01003788 0.02361662 0.31323589 -0.67402837 -0.87147516 Fe 4.98381838 1.63481131 0.02035451 -0.81023241 1.02040388 -0.74491410 Fe 4.90368197 0.01349784 1.63694438 0.67667788 -0.83210243 0.52827478 Fe 3.29678611 1.64867820 1.63342118 -0.58057666 0.67957206 0.68664251 Fe 6.59300996 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