256 Lattice="13.93355010373009 0.0 0.0 0.0 13.93355010373009 0.0 0.0 0.0 13.93355010373009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-789.6020349994479 stress="-0.02292898167427232 -4.620331724390876e-06 -0.001713973955418823 -4.620331724390876e-06 -0.020375141614790895 0.0029300763258962048 -0.001713973955418823 0.0029300763258962048 -0.025097369276889676" free_energy=-789.6020349994479 pbc="F F F" Fe 0.01524993 0.04448245 0.01278169 -0.28452941 -0.28021555 0.18580734 C 1.74871968 1.71940265 0.01215747 1.15968915 2.31037962 -1.70090570 Fe 1.73223713 0.02117779 1.68074940 0.53276651 -0.22831890 1.43179776 Fe 0.03351223 1.75688408 1.70889585 -0.59984925 -0.58493520 1.73830321 Fe 3.47200250 0.02852941 0.02632027 0.37881939 0.32126041 0.64608232 C 5.21722336 1.77017763 0.00284319 0.25411207 -0.95890129 -1.42534887 C 5.20875790 0.03043328 1.73848633 1.54863864 -1.72849121 0.73181909 C 3.48241269 1.77448758 1.77118881 -1.32332873 -1.04254866 0.58836926 Fe 6.96982277 0.01477913 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10.47670022 3.51202156 10.44746492 -1.66085678 -0.88416078 -0.21295293 Fe 12.16961789 5.25331103 10.44576244 -0.33155233 -1.25705770 0.34546787 C 12.21054088 3.48119576 12.18539429 0.15546530 1.37634300 -0.47891776 Fe 10.45037621 5.21456490 12.14364790 0.69883227 0.72736991 -0.31402165 Fe 0.01394099 6.95882565 10.43307988 -0.77089605 -0.37824599 0.64066881 C 1.70852306 8.64308490 10.49448281 0.34469775 1.54662739 -1.51105795 Fe 1.71026115 6.93800506 12.18538868 0.53715260 0.07780224 0.69975245 Fe 0.01389183 8.69872276 12.21945907 -0.21792361 0.70005314 -0.51403155 Fe 3.49927941 6.95349524 10.42333502 -0.33677651 0.55090481 1.13134765 Fe 5.25222553 8.73767888 10.46309963 -0.65299442 0.32556218 -1.25854460 Fe 5.19639284 6.97662529 12.20042932 0.79190825 -0.69520441 0.48884197 Fe 3.43675159 8.74075052 12.17283430 0.84233814 0.06405161 0.56874397 Fe 6.99373583 6.93731628 10.47359742 -1.67036697 0.34647610 -2.32624385 Fe 8.75079680 8.73023417 10.43623590 -0.99949967 -0.59903190 0.17535065 C 8.68812771 6.93666068 12.17049848 0.43324501 0.92453160 1.29872966 Fe 6.96475762 8.68358579 12.18835992 0.04788998 2.05760724 -0.38902888 C 10.47623118 7.01153353 10.42619803 -0.06415263 -1.02620709 0.80033675 C 12.17286921 8.74296447 10.47299072 0.61174516 1.10993836 -1.22464766 C 12.20768220 6.96149914 12.22463110 0.63989877 -1.68217009 0.77859878 C 10.45269902 8.71860751 12.16981107 -0.39159325 0.90205944 0.90109416 C 0.01650287 10.45972368 10.44372432 -0.71430125 -0.59920674 1.06002626 Fe 1.76656257 12.21358162 10.42449476 -0.35451424 -0.33119160 0.49814388 Fe 1.74702663 10.42794845 12.15915007 -0.30862568 0.31835486 0.26389791 Fe 0.01473600 12.18607361 12.19443223 0.51012063 -0.48622884 -0.38619969 C 3.45253586 10.43817803 10.43069407 1.23807828 2.13008780 0.36142098 Fe 5.25277841 12.21134245 10.47188421 -0.21794529 -1.91235880 -1.09717025 C 5.19638465 10.46950309 12.16958194 1.47723763 -1.33364976 1.52860631 Fe 3.50630275 12.17027440 12.18026129 -0.68298306 0.26947905 -0.48560513 C 6.99294164 10.47893612 10.47423291 0.45279094 -3.43028347 -1.64487142 C 8.68688020 12.16368046 10.47329990 0.38870156 0.83886775 -1.34006818 C 8.72668991 10.44735012 12.18765254 -0.71041130 -1.32351825 0.89875815 Fe 7.00029469 12.16788532 12.17457796 -1.86285602 0.20251886 1.03875498 Fe 10.46073538 10.50337512 10.43893333 0.15407643 -1.52905898 1.11820824 Fe 12.20194024 12.17224331 10.44782824 -0.57314290 -0.55497706 -0.37050798 C 12.17551858 10.42838330 12.18850988 1.12754221 0.82292527 0.24124237 C 10.48064472 12.17752150 12.19245603 0.54354723 1.48273951 0.83978808