500 Lattice="18.23692743145943 0.0 0.0 0.0 18.23692743145943 0.0 0.0 0.0 18.23692743145943" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1918.5245652510955 stress="-0.002628262702945658 -0.0004416330759518309 -0.00018940988560556385 -0.0004416330759518309 -0.0026653937664821415 -0.00014963069183654266 -0.00018940988560556385 -0.00014963069183654266 -0.002630863189416592" free_energy=-1918.5245652510955 pbc="F F F" Fe 0.02855216 0.01843803 0.02777265 0.29036753 0.29994844 0.20067528 Fe 1.84368634 1.83340757 0.01237379 -0.38227615 -0.12847996 -0.03643203 Fe 1.80654995 0.01031386 1.79032094 0.10505667 0.07486501 0.30459744 Fe 0.00119456 1.79487083 1.85283905 0.08959818 0.29464738 -0.31443363 Fe 3.58499329 0.00167471 0.00324022 0.22272656 0.25680966 0.22044182 Fe 5.45058314 1.83306475 0.02137948 0.12103059 -0.38830846 -0.17879444 Fe 5.44318198 0.01855316 1.83521617 0.13887196 -0.09753310 -0.27738129 Fe 3.67121580 1.84418190 1.80687454 -0.25305422 -0.48050469 0.14499987 Fe 7.30722514 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