108 Lattice="11.792381062855476 0.0 0.0 0.0 11.792381062855476 0.0 0.0 0.0 11.792381062855476" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-199.3391389435989 pbc="F F F" Fe 0.01156536 -0.03155717 0.03520120 26 0.96423669 1.00878107 0.93851514 Fe 1.95297037 1.91675577 -0.01295546 26 -0.10333061 0.13501674 1.10043105 P 1.98754668 -0.01105895 1.97226428 15 0.00019088 1.58294634 -0.00862641 Fe 0.00886980 1.92131479 1.96396953 26 1.22443367 0.14443655 -0.05382018 Fe 3.93224152 0.02873680 -0.03889821 26 -0.00392489 0.96793370 1.08128116 Fe 5.91528444 1.99875833 0.00674357 26 0.02198546 -0.18524557 1.03311979 Fe 5.86831366 -0.02622692 1.98693860 26 0.38892869 1.17402136 -0.16743892 Fe 3.95561653 1.95505473 1.96588403 26 -0.15677205 0.15509407 -0.11180948 P 7.85112265 0.02648766 -0.00590076 15 -3.52974951 -0.27940219 -0.06370358 P 9.77734613 1.99035970 0.00730265 15 0.40947072 3.34843062 0.09068443 P 9.79108459 -0.03842218 2.03399531 15 2.11089659 -1.72540724 -0.78958640 Fe 7.89546469 1.97876622 1.93836531 26 0.28126879 -0.24686981 0.05929410 P 0.05423856 3.94501678 -0.02072933 15 -0.39990072 -1.92904732 1.51369467 P 1.96966538 5.90670798 0.00460219 15 0.29583793 0.09716704 1.78248720 Fe 1.98827886 3.92715309 1.96753460 26 -0.19076044 0.25529508 -0.24461142 Fe 0.01836431 5.86078687 1.91806478 26 1.28260692 0.18086760 -0.13448190 P 3.92311636 3.93013177 -0.01052982 15 0.20309702 -3.22218784 1.67714951 P 5.95253247 5.92570618 0.01645994 15 -0.66532563 -2.09200123 -0.44003492 Fe 5.91147310 3.93731208 1.95929333 26 0.11999793 0.29434469 -0.03058512 Fe 3.95495320 5.93975787 1.96804597 26 -0.12401746 0.18341881 -0.33547177 Fe 7.83546335 3.95019339 -0.00774337 26 0.30817028 0.10594000 1.16105329 Fe 9.85306437 5.84802955 -0.03360465 26 -1.22739112 0.27570958 1.32389932 Fe 9.80807315 3.97895909 1.96133053 26 -1.17174630 -0.06810530 0.06877650 P 7.84640687 5.91670788 1.93921113 15 -1.38232599 -5.30687307 0.59713200 P 0.01701959 7.86766811 -0.02462493 15 -1.95692033 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5.85598979 26 -0.08514105 1.51362326 0.39996590 P 0.02223207 2.00107745 5.88187383 15 -1.81336882 -1.86388583 -5.19885887 Fe 3.95522676 0.01058155 3.91451135 26 -0.23504923 1.08160351 0.25077210 Fe 5.90416007 1.97612706 3.95869203 26 0.08250196 0.04139567 0.00625976 Fe 5.85148544 0.02432113 5.90472722 26 0.04520726 1.00188060 0.12556633 P 3.96370252 1.93273010 5.89597153 15 1.49779618 -3.13442829 -5.51416748 P 7.86273416 0.02722132 3.91327439 15 -4.09858343 -0.31162385 1.96555188 P 9.80702898 1.94985337 3.94816452 15 0.33868098 2.25990812 0.25216923 Fe 9.83195918 0.03886644 5.88557748 26 -1.08137850 1.13273463 -0.01686826 Fe 7.83602819 1.91841541 5.92347971 26 0.34275435 0.26397495 -0.00813392 Fe 0.00892167 3.99690457 3.98080500 26 1.18850773 -0.18414881 -0.00266639 P 1.97057174 5.84005261 3.92110208 15 3.47010468 0.51176443 -3.91780285 P 1.98324000 3.99465255 5.87758568 15 2.15044106 -0.86215252 -4.99020496 P -0.02869882 5.91704907 5.87164853 15 -3.47728564 0.14120796 -1.52065120 Fe 3.92617497 3.97390756 3.89059734 26 -0.09618087 -0.01834416 0.42481380 Fe 5.89688284 5.90636121 3.92077017 26 0.29756295 0.26973775 0.25717290 P 5.90967550 3.93469005 5.92552969 15 1.76680847 -0.17129132 -2.00641358 Fe 3.94517047 5.87363822 5.95520337 26 -0.21035408 0.08629517 0.02605427 Fe 7.91106787 3.94628856 3.95855390 26 0.17493808 0.14764815 0.07627942 P 9.81769057 5.88378056 3.96050217 15 3.50693399 -3.47315046 -2.38389416 P 9.81832297 3.97052632 5.93497153 15 0.18707760 -0.28107618 1.69155713 P 7.83008655 5.89876709 5.91048107 15 -1.77037775 -3.27019174 1.41396711 P 0.04847168 7.86345467 3.94505971 15 -0.05452904 1.83315987 -3.67555452 Fe 2.01279404 9.79968621 3.98442477 26 -0.39220749 -1.16866191 -0.24121276 Fe 1.92985073 7.87619464 5.93317913 26 -0.15956044 -0.08848434 0.23097285 P -0.02388232 9.81766010 5.88690227 15 1.41637838 1.98613201 0.19747445 Fe 3.92024799 7.90672309 3.93359903 26 0.32455218 -0.08694600 0.00496836 P 5.90004049 9.83233479 3.92717925 15 -1.57181458 1.86857207 -1.74177744 P 5.86486765 7.87425259 5.87065232 15 -4.69298968 -3.43314094 -1.82948657 Fe 3.87328216 9.85044757 5.88805294 26 0.38115211 -1.30454488 0.20602618 P 7.88714337 7.85344768 3.94385197 15 -2.00950009 1.82035814 -3.19357122 Fe 9.83037626 9.85356409 3.92247038 26 -1.48354005 -1.60498833 0.03357489 P 9.85628999 7.83442014 5.92137762 15 5.17529152 1.69363051 1.78063491 P 7.87878031 9.82436184 5.91671648 15 3.26325061 5.12708563 -0.12497325 P -0.01090075 0.03196332 7.88989714 15 -0.17779115 -1.77428298 1.63951510 P 2.00107347 1.99359420 7.83126061 15 -2.41434197 -3.34331819 1.60534927 Fe 1.90803262 0.03670533 9.82180099 26 0.01789005 1.49041506 -1.49989770 Fe -0.01736045 1.97368268 9.79714399 26 1.51336527 0.13711213 -1.51986730 P 3.93960100 -0.01766772 7.85378729 15 1.63090549 -3.75972695 0.02349902 Fe 5.85651259 1.92170780 7.90105704 26 0.03667322 0.29870357 0.04938165 Fe 5.91599732 -0.02845905 9.83421168 26 -0.17143837 1.29550095 -1.21834017 P 3.89368899 1.96520691 9.78881755 15 1.95962962 -3.66086092 3.94957590 Fe 7.85841280 -0.00511996 7.86799267 26 0.18375735 1.34178753 0.12682532 P 9.79232929 1.95113341 7.83169035 15 -1.63816016 -1.65578632 -1.70190895 P 9.81352053 -0.03615404 9.76662465 15 -1.24711053 -0.50143906 0.60652135 Fe 7.85179430 1.96458180 9.85308482 26 0.12458912 0.02893479 -1.37757168 P 0.00283846 3.96663834 7.82448130 15 -5.02763236 -1.94734361 2.14923481 P 1.98366036 5.88378326 7.85832609 15 3.34429165 3.60167568 -0.01255726 P 2.00312935 3.97832687 9.85855273 15 0.03955314 -0.08296618 4.98427491 P -0.00833169 5.88840008 9.82912207 15 -1.99512535 1.72745557 3.75851164 P 3.95339256 3.89196551 7.82411808 15 3.32493634 3.75478469 0.27924165 Fe 5.89031469 5.84249767 7.82657243 26 0.04170544 0.21983099 0.09802536 P 5.87827991 3.91726651 9.82872139 15 3.54850758 1.70727120 0.22870796 Fe 3.95497492 5.85872716 9.83664166 26 -0.22690128 -0.02087813 -1.49096045 Fe 7.89345476 3.99114963 7.81669451 26 -0.02080434 -0.39574575 0.18801519 Fe 9.80003465 5.86271952 7.84669773 26 -1.23648704 0.14533786 -0.07940930 P 9.83665866 3.89670402 9.84562184 15 -1.55532776 1.60356254 0.15371223 Fe 7.85682177 5.93709602 9.85974106 26 0.00250204 -0.20608800 -1.52945034 P 0.00190763 7.85261431 7.89854954 15 0.03841159 1.70501884 -0.30998048 Fe 1.97415188 9.81111904 7.92095126 26 -0.23525577 -1.36640985 0.08322278 Fe 1.94414946 7.86369622 9.81206609 26 -0.19734377 -0.03198975 -1.40805562 P 0.00897695 9.85599313 9.80815147 15 1.26848698 0.58507680 0.54991839 P 3.95783034 7.82740050 7.81040728 15 -1.87684908 -1.53331952 0.51980752 P 5.88232310 9.81858926 7.89281438 15 0.23028575 3.46378621 1.48035770 Fe 5.94773374 7.85490770 9.81389224 26 -0.26382886 0.10530783 -1.39089177 P 3.96506854 9.82029721 9.86436138 15 -1.94904396 -0.04330062 1.85113593 P 7.85348983 7.84608331 7.84281965 15 1.45485912 -1.59754434 6.85764342 Fe 9.84935942 9.85528290 7.81945465 26 -1.48349274 -1.43843137 -0.16200322 Fe 9.81215471 7.84228364 9.86421495 26 -1.22258280 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