256 Lattice="13.952339189868983 0.0 0.0 0.0 13.952339189868983 0.0 0.0 0.0 13.952339189868983" Properties=species:S:1:pos:R:3:forces:R:3 energy=-762.1016869830803 stress="-0.025071163364007467 0.0022194894028015597 -0.0031044637620431387 0.0022194894028015597 -0.021304617956812034 -0.0010186958362052904 -0.0031044637620431387 -0.0010186958362052904 -0.012178243724482805" free_energy=-762.1016869830803 pbc="F F F" C 0.01029819 0.02232628 0.00334499 0.86156199 0.26809094 0.43537350 Fe 1.76185217 1.77184819 0.01661146 -0.07180601 -0.58616469 -0.42764677 Fe 1.75826185 0.02691904 1.77763431 -0.68550099 0.05728106 -1.40212929 Fe 0.00169097 1.73260801 1.74660268 0.15595891 0.66227201 -0.21395100 Fe 3.51070975 0.01791426 0.01261195 -0.37981324 -0.60613727 0.20398078 C 5.20658863 1.73000084 0.01055176 0.90364053 -0.90475131 -2.06047838 Fe 5.27916962 0.03212575 1.73034986 -0.84342784 0.24282673 1.19366035 C 3.50246262 1.75361885 1.71829843 -1.13758193 -0.89692627 1.24724895 Fe 6.99414318 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