108 Lattice="10.457906038195352 0.0 0.0 0.0 10.457906038195352 0.0 0.0 0.0 10.457906038195352" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-316.0333554328942 pbc="F F F" Fe -0.00950480 0.00288778 -0.03184561 26 0.31286614 0.24417256 0.55015349 C 1.72066719 1.74036883 0.04578399 6 0.55568105 -0.87066464 -0.93500801 Fe 1.71168641 -0.01571368 1.74574012 26 0.67124752 0.86506838 0.33695447 Fe 0.02441067 1.73318937 1.72004027 26 -0.34786646 0.25426398 1.23610464 C 3.48346808 -0.01917796 -0.00993654 6 -1.12910551 -0.43351459 0.53370506 C 5.26999690 1.72793060 -0.03175062 6 -0.11998827 0.74556628 0.58528131 C 5.19565223 -0.00879076 1.71532040 6 2.55826113 0.29238575 1.38259162 Fe 3.50540365 1.75752434 1.74602295 26 -0.34940221 -0.72578318 -1.69420346 Fe 7.00110719 0.00220142 -0.01664514 26 -0.29517950 0.46078517 1.04284626 Fe 8.72276827 1.78111355 0.01145437 26 -0.13993342 -0.68758421 0.38471260 C 8.74413349 -0.02422125 1.71777750 6 -1.66086900 1.44456895 0.77649818 Fe 6.95235609 1.71115783 1.74041727 26 0.30811873 -0.28984059 0.66653566 C 0.01523621 3.50353133 -0.00310368 6 -1.29991371 -0.14099616 -0.54392654 C 1.77181252 5.21941787 0.02775549 6 -0.95616750 1.04033350 -1.86620117 Fe 1.72828361 3.49521475 1.72708063 26 1.52745188 -1.05654877 1.95514349 C -0.00809405 5.16888432 1.70419689 6 -2.16710560 0.15949270 0.00041413 C 3.45395268 3.50036408 -0.01766657 6 0.83846315 -0.87153443 0.74483887 C 5.29463875 5.24779240 -0.01872609 6 -1.00134622 -1.24989293 -0.48690905 Fe 5.26291998 3.50114665 1.72596236 26 -1.06022661 -0.17948566 -1.18513468 Fe 3.51287328 5.19716040 1.70843601 26 -0.60333137 1.96252008 1.56405823 Fe 6.94602415 3.46843795 0.03247399 26 0.79752308 0.99094586 0.31613389 Fe 8.72062914 5.21535110 0.02100502 26 -0.88964774 -0.12139484 0.60949325 Fe 8.72493268 3.45516549 1.75914987 26 -1.28273398 1.45610576 0.39285243 C 6.94023103 5.27129137 1.76033925 6 3.57086689 -1.50848709 -1.29407391 Fe 0.00185930 6.97541998 0.00270743 26 1.17127947 -1.89045618 1.64587520 C 1.73699299 8.70534909 -0.01451353 6 -0.55515285 1.03659277 -1.58211183 C 1.70985173 6.98187573 1.76809038 6 0.92013801 -1.79405354 -1.11077762 C 0.02056598 8.69535608 1.72975797 6 -1.03512004 1.33911955 0.26356459 C 3.48663216 6.97635213 -0.02177198 6 -0.06797814 -0.77249516 -1.15019751 Fe 5.23653497 8.65763405 -0.02266661 26 0.63496266 -0.33873830 0.47247734 C 5.23670848 6.95026522 1.75847261 6 1.52005175 0.90805054 -0.61789468 C 3.51444109 8.72679004 1.71170608 6 -0.21994137 2.09788757 0.27708124 Fe 6.93661068 6.96582736 -0.02163030 26 1.51077406 1.40338228 0.64435092 C 8.72630164 8.74707511 -0.01989330 6 -0.93774716 -1.46545510 0.76856798 Fe 8.73093497 6.97500790 1.75064371 26 -0.18886759 0.18424907 -0.77325789 Fe 7.00353988 8.73087046 1.73151727 26 -1.93437373 -0.70420157 0.59930374 Fe 0.02543927 -0.00682748 3.47987536 26 0.83817577 1.40579436 0.16856329 C 1.76264683 1.77268321 3.51726050 6 -1.48524844 -0.40385967 -3.83221097 C 1.76718309 -0.01231514 5.20720171 6 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5.23595949 6.95332744 5.20806695 26 -0.88826395 -0.72743466 2.39238654 Fe 3.45852061 8.73588024 5.22873937 26 0.27114859 -1.44156527 0.68686592 Fe 6.96706547 6.97137292 3.47524555 26 -0.34889668 -0.12295870 0.77865945 Fe 8.69078260 8.73998172 3.48544736 26 0.24507182 0.18454904 0.09872717 Fe 8.72116028 7.00329068 5.21117420 26 -1.45038793 -1.93857084 1.55230706 Fe 6.95011671 8.71060614 5.23151012 26 1.13647699 -0.18663695 0.73004286 C -0.00992221 0.00665879 6.96307042 6 -0.69503807 -1.64996365 0.86140016 C 1.74199003 1.71164460 6.97409678 6 -1.00382396 1.96813047 0.81634225 Fe 1.73362023 -0.03277340 8.72714936 26 0.83790906 1.98151083 -1.10237882 C 0.03336073 1.71909970 8.69760151 6 -1.18583831 0.13236876 1.16349998 C 3.49315985 0.03178890 6.98567378 6 -0.88856542 -2.23254858 0.88960453 C 5.22711655 1.73511905 7.00685092 6 2.83235488 0.13539445 -0.07860360 C 5.23069880 -0.02430936 8.73958834 6 2.12333903 -0.78190211 0.33231861 C 3.50843451 1.75837134 8.73017704 6 -2.18876979 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