256 Lattice="14.422938236796472 0.0 0.0 0.0 14.422938236796472 0.0 0.0 0.0 14.422938236796472" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3384.344394209667 stress="-0.005825947917000409 0.0007302169444361858 0.00030289872801400174 0.0007302169444361858 -0.005642065670293724 3.0552414502468964e-05 0.00030289872801400174 3.0552414502468964e-05 -0.005921404874456509" free_energy=-3384.344394209667 pbc="F F F" Fe 0.01357971 0.00591635 0.03336115 0.59912351 0.58614811 0.55168090 Fe 1.81612454 1.78822076 0.03343592 -0.28814606 -0.23351138 -0.20321609 Fe 1.82315956 0.02438995 1.79422820 -0.38406902 -0.22302171 -0.15297604 Fe 0.03194440 1.78894529 1.79239806 -0.22149888 -0.26069680 -0.21293405 Fe 3.59089374 0.02077081 0.02235387 0.10669568 0.22878116 0.25713830 Fe 5.41403049 1.77788844 0.02488689 -0.00546820 -0.06227868 -0.22380924 Fe 5.43580414 0.02052779 1.78463244 -0.09441203 -0.38568549 -0.11802714 Fe 3.64059234 1.79071544 1.83499399 -0.26255122 -0.13393391 -0.38693647 Fe 7.19670581 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