256 Lattice="13.944449615478517 0.0 0.0 0.0 13.944449615478517 0.0 0.0 0.0 13.944449615478517" Properties=species:S:1:pos:R:3:forces:R:3 energy=-768.6192923033054 stress="-0.014273997470684358 0.0009179928174934948 -0.0036877073292203304 0.0009179928174934948 -0.021173287397831992 -0.005562632602365543 -0.0036877073292203304 -0.005562632602365543 -0.01355845829767773" free_energy=-768.6192923033054 pbc="F F F" Fe 0.01455434 0.00814131 0.00720642 0.18318235 0.07700092 0.08820266 Fe 1.76270781 1.72034313 0.01725968 -0.83043440 1.67754948 0.32031149 Fe 1.73793015 0.00566462 1.74681979 0.74547110 0.07904744 0.63556265 Fe 0.04561696 1.72772973 1.75809027 0.04044446 1.18218577 -0.74475846 C 3.45801211 0.01059737 0.02493296 0.63948036 -0.68967240 -1.30620076 Fe 5.26160530 1.72593204 0.04749617 -1.80210367 1.05345664 -0.00476593 C 5.20962101 0.00512578 1.74832079 1.15424831 -0.54132139 0.91326773 C 3.48054160 1.75413279 1.75031802 -1.14795068 0.19257617 -1.01135437 C 6.92878275 0.02697423 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10.43342202 -0.55703276 1.53964819 -0.47562614 C 8.69901409 7.00191713 12.23382443 1.16877491 -0.52573056 -0.54453987 C 6.98290996 8.73360948 12.22385121 -0.98441988 0.93625266 -0.39217699 Fe 10.44258381 6.96920383 10.47911631 1.01511645 -0.56022820 -1.23873965 C 12.20981423 8.74206038 10.49300041 -0.62035487 -0.79773822 -0.70572380 C 12.19899315 6.96137803 12.17550137 0.26428898 0.93357578 1.20646077 Fe 10.46423740 8.72727186 12.18092377 -0.53076173 -0.41300155 0.04962700 Fe 0.00044976 10.47427089 10.47096510 0.94411197 -0.56105873 0.99833631 Fe 1.74623541 12.21192595 10.44578336 -0.03114041 -0.06288937 1.37023225 C 1.77190341 10.47110729 12.23075431 -0.77059254 0.06922514 -0.66762462 Fe 0.02099553 12.19198543 12.20731770 0.48146625 -0.47510147 -0.25678722 Fe 3.45226455 10.46594062 10.44478069 2.36614900 0.88120102 0.64333893 C 5.19934553 12.21832812 10.43303825 0.40852934 -0.72104736 2.33592375 Fe 5.26944628 10.42921405 12.18104409 -0.79047309 1.56904540 -0.34496103 Fe 3.47884738 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