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XDATCAR.MD

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Molten Fe2O3
1 9.390000 0.000000 0.000000 0.000000 9.390000 0.000000 0.000000 0.000000 9.390000 O Fe 48 32 Direct configuration= 1 0.85729725 0.44607741 0.39190768 0.34116163 0.05044049 0.07101082 0.33363992 0.93001898 0.39422493 0.30745366 0.71012692 0.57091404 0.98350649 0.92842347 0.09260150 0.51632034 0.07023997 0.21570120 0.75262417 0.86594797 0.82543831 0.22021553 0.90081762 0.87332943 0.07981280 0.85295960 0.31593589 0.44723005 0.89314158 0.67777421 0.30085375 0.49267068 0.15093676 0.54252820 0.76191541 0.20485094 0.45549781 0.53460086 0.36650048 0.07209866 0.35673170 0.20037881 0.79466221 0.21026177 0.96254162 0.54527890 0.11656071 0.88813963 0.74187562 0.42480348 0.13329188 0.99146184 0.35257756 0.60026494 0.82187685 0.68979982 0.06521759 0.29863303 0.20145503 0.32960763 0.19755337 0.58619928 0.80820674 0.52677608 0.49465108 0.00947776 0.00016741 0.75240157 0.86716365 0.06886848 0.63066392 0.40023846 0.58719798 0.92998661 0.49346977 0.79258493 0.01614546 0.36058162 0.94227991 0.15244749 0.17506397 0.06433415 0.58673656 0.10797315 0.26334363 0.78787104 0.15992870 0.00371198 0.12877047 0.45463347 0.47683062 0.74943440 0.94604409 0.69593323 0.18715902 0.58205536 0.95463009 0.06402642 0.82760365 0.47762993 0.52620674 0.64540311 0.45820043 0.32846057 0.79302261 0.93057694 0.61044100 0.61656494 0.47160159 0.17741831 0.53564572 0.69389406 0.67118783 0.57290449 0.12371806 0.91800329 0.64329974 0.26606224 0.41615813 0.49495082 0.86004218 0.88648139 0.58340599 0.63598850 0.32665886 0.30263858 0.19292313 0.24129808 0.99069401 0.70480426 0.93509964 0.05811922 0.71659260 0.39916131 0.76837111 0.83476965 0.79356906 0.30783329 0.97809757 0.41173140 0.86678934 0.23062152 0.16359496 0.65350141 0.68408029 0.76795270 0.96806575 0.64435213 0.25709580 0.92043563 0.84620889 0.63089467 0.44940888 0.34222496 0.03958360 0.55258484 0.66665431 0.87170061 0.63595798 0.16171417 0.52041448 0.24046970 0.37522614 0.18500310 0.92899769 0.85356345 0.28186520 0.66340048 0.88019629 0.31712080 0.26207603 0.58475788 0.35640461 0.63263945 0.41810847 0.90332926 0.19760567 0.14981713 0.38747033 0.86480729 0.51235883 0.64306987 0.51299565 0.96780277 0.88532154 0.75826221 0.85093148 0.51536426 0.99644270 0.08134627 0.49724572 0.55415825 0.33781810 0.37284139 0.65640345 0.14727187 0.74862294 0.76021570 0.62268991 0.13344876 0.39305265 0.17561414 0.94914382 0.03821614 0.97668538 0.77012127 0.18048991 0.44409154 0.34146092 0.35520136 0.46082213 0.92592271 0.86788981 0.15645689 0.15277191 0.22107385 0.66008790 0.92543679 0.25978530 0.53118689 0.36610256 0.13444506 0.19961105 0.76271326 0.43867154 0.40338887 0.66019535 0.10627127 0.75492701 0.64013722 0.75200929 0.87149338 0.06847602 0.01579717 0.16240888 0.22734645 0.49567866 0.99388522 0.95014111 0.46363055 Direct configuration= 2 0.85743338 0.44516141 0.39036660 0.33803212 0.05302132 0.07123528 0.33677943 0.93229457 0.39562675 0.30869249 0.71222857 0.57130435 0.98208863 0.93094968 0.09287625 0.52078872 0.07023125 0.21885332 0.75126218 0.86498740 0.82241912 0.22116243 0.90037974 0.87400995 0.07730492 0.85190513 0.31745198 0.44642644 0.89321882 0.67858308 0.30140654 0.48995103 0.15098814 0.54066394 0.76458648 0.20515466 0.45360226 0.53630042 0.36730106 0.07115591 0.35491937 0.20137321 0.79655027 0.20939308 0.96015317 0.54800642 0.11433022 0.88740382 0.73806286 0.42068097 0.13073989 0.99545793 0.35200938 0.59957818 0.82187735 0.69596561 0.06366445 0.30023962 0.20318817 0.33186075 0.19403376 0.58702772 0.80851594 0.53143583 0.49444681 0.00882474 0.00162038 0.75109857 0.86660342 0.06782456 0.63430883 0.39819133 0.58737102 0.93119372 0.49030667 0.79718727 0.02189322 0.36098110 0.94019916 0.15102767 0.17596548 0.06339501 0.58966746 0.10940330 0.26306757 0.79076151 0.15671881 0.00525483 0.13067825 0.45497982 0.47278262 0.75059903 0.94686190 0.69749375 0.18788394 0.58684612 0.95281901 0.06193620 0.82985686 0.47774707 0.52579495 0.64950517 0.46289945 0.32954888 0.79574597 0.92517210 0.60712073 0.61554489 0.47213797 0.17658154 0.52889503 0.69034799 0.67079725 0.57098048 0.12535595 0.91689074 0.63741124 0.26876928 0.41744256 0.49591292 0.85917696 0.88367279 0.58715500 0.63324247 0.32896898 0.30515840 0.19415903 0.24504476 0.98772366 0.70587098 0.93254765 0.05528362 0.71833878 0.39879109 0.76964089 0.82918499 0.79228719 0.30954917 0.98060626 0.40765162 0.86901991 0.23063738 0.16367878 0.65396672 0.68352987 0.76889414 0.96739118 0.64498498 0.25605459 0.92040640 0.84739279 0.62789190 0.45067490 0.34122931 0.04019227 0.55354609 0.66845427 0.86895849 0.63560925 0.16015477 0.52112108 0.24057481 0.37582806 0.18455848 0.92815901 0.85404966 0.28206626 0.66280028 0.87799748 0.31723208 0.26339431 0.58508645 0.35423187 0.63227173 0.41831755 0.90364297 0.19823903 0.14860850 0.38768689 0.86315925 0.51205765 0.64281665 0.51600660 0.96625259 0.88621297 0.75708916 0.85012701 0.51409568 0.99702466 0.08005007 0.49664761 0.55599220 0.33891592 0.37471432 0.65793948 0.14685311 0.74792418 0.76074866 0.62232979 0.13354206 0.39261276 0.17294541 0.94904277 0.03875027 0.97943097 0.76942611 0.17853110 0.44408226 0.34145811 0.35641375 0.46099525 0.92692944 0.86674584 0.15522723 0.15403495 0.21968974 0.66007604 0.92522171 0.26032774 0.53217584 0.36480419 0.13245008 0.19982457 0.76383622 0.43925219 0.40350665 0.66046813 0.10523727 0.75533052 0.64048469 0.75334135 0.87473810 0.06722785 0.01529359 0.16386014 0.22827779 0.49532248 0.99286911 0.95113819 0.46216085 Direct configuration= 3 0.85754512 0.44455626 0.38898608 0.33452868 0.05538494 0.07140628 0.33971051 0.93424970 0.39687561 0.31018158 0.71408079 0.57165254 0.98120179 0.93326765 0.09282000 0.52586074 0.07006584 0.22251737 0.75005797 0.86384676 0.81876822 0.22250716 0.89984678 0.87436007 0.07501214 0.85143715 0.31917275 0.44575663 0.89359982 0.67986004 0.30303858 0.48720012 0.15049991 0.53905247 0.76712549 0.20575795 0.45198418 0.53808746 0.36826184 0.07015917 0.35287794 0.20281885 0.79923122 0.20882376 0.95797778 0.55029405 0.11091075 0.88657104 0.73501383 0.41660089 0.12780045 0.99989173 0.35107108 0.59878230 0.82212519 0.70163047 0.06203027 0.30151918 0.20510333 0.33403604 0.19075664 0.58680238 0.80897297 0.53579557 0.49442808 0.00834371 0.00278455 0.74945825 0.86643239 0.06686901 0.63704757 0.39620592 0.58755497 0.93273747 0.48626537 0.80138902 0.02799864 0.36105273 0.93816130 0.14990999 0.17700594 0.06179036 0.59318586 0.11068014 0.26279940 0.79374574 0.15320997 0.00716588 0.13285190 0.45535480 0.46894770 0.75195772 0.94762342 0.69946587 0.18899461 0.59159308 0.95099913 0.05964177 0.83219494 0.47801880 0.52487308 0.65387281 0.46733531 0.33041196 0.79860387 0.91989277 0.60369433 0.61499981 0.47254402 0.17587512 0.52181557 0.68669484 0.67056964 0.56893783 0.12681702 0.91559599 0.63121750 0.27088711 0.41865579 0.49642493 0.85862752 0.88094627 0.59107426 0.63001603 0.33064534 0.30790904 0.19563577 0.24899714 0.98429023 0.70699436 0.93055397 0.05299118 0.72037212 0.39872211 0.77076744 0.82350119 0.79040141 0.31135925 0.98200728 0.40383285 0.87154930 0.23100361 0.16387543 0.65471128 0.68285199 0.76976391 0.96677763 0.64528326 0.25538289 0.92024175 0.84858541 0.62493497 0.45175719 0.34028722 0.04072641 0.55455715 0.67025298 0.86612485 0.63531010 0.15836812 0.52183679 0.24084871 0.37639615 0.18420085 0.92736486 0.85424963 0.28214235 0.66234810 0.87576391 0.31739849 0.26457248 0.58539493 0.35192822 0.63193264 0.41842707 0.90415765 0.19897824 0.14767710 0.38795361 0.86158213 0.51151993 0.64257233 0.51888827 0.96445647 0.88741119 0.75579733 0.84934291 0.51282458 0.99760573 0.07889635 0.49625771 0.55783690 0.33995856 0.37662124 0.65962049 0.14668231 0.74727382 0.76121070 0.62201226 0.13355087 0.39230363 0.17020961 0.94884975 0.03946795 0.98203331 0.76866046 0.17656739 0.44404908 0.34149768 0.35776659 0.46110926 0.92794251 0.86551597 0.15392918 0.15545718 0.21820881 0.66024715 0.92498045 0.26087004 0.53330950 0.36356115 0.13040023 0.20009142 0.76511319 0.43979610 0.40367356 0.66064377 0.10411749 0.75580677 0.64076989 0.75469417 0.87807967 0.06575735 0.01480303 0.16529650 0.22926198 0.49484817 0.99167648 0.95207331 0.46070194 Direct configuration= 4 0.85761669 0.44431359 0.38784582 0.33071717 0.05756565 0.07162138 0.34235881 0.93583615 0.39791170 0.31192870 0.71563605 0.57194544 0.98093998 0.93515017 0.09257319 0.53137912 0.06975909 0.22652074 0.74899924 0.86249505 0.81463418 0.22418452 0.89924140 0.87439243 0.07296028 0.85160807 0.32101037 0.44524964 0.89429520 0.68149809 0.30547294 0.48450769 0.14963694 0.53773993 0.76940556 0.20664728 0.45066082 0.53995137 0.36940529 0.06912760 0.35069526 0.20469831 0.80251601 0.20854367 0.95598754 0.55211640 0.10642613 0.88568082 0.73277854 0.41258524 0.12455970 0.00442097 0.34944535 0.59804756 0.82267496 0.70656353 0.06034852 0.30233362 0.20714185 0.33600016 0.18778194 0.58543337 0.80955999 0.53979900 0.49464664 0.00800494 0.00352655 0.74767660 0.86656968 0.06602512 0.63876439 0.39440630 0.58790059 0.93451979 0.48158824 0.80514840 0.03431855 0.36076955 0.93618084 0.14914708 0.17820780 0.05958055 0.59717361 0.11180602 0.26252627 0.79680580 0.14948457 0.00942639 0.13518649 0.45574443 0.46539542 0.75349265 0.94830731 0.70173337 0.19042213 0.59625209 0.94925638 0.05716165 0.83454150 0.47844735 0.52353036 0.65839009 0.47143761 0.33100127 0.80154300 0.91486954 0.60013102 0.61512926 0.47288043 0.17533636 0.51452631 0.68317573 0.67048597 0.56689809 0.12807956 0.91410192 0.62481226 0.27240141 0.41978103 0.49656737 0.85847059 0.87834612 0.59497064 0.62642109 0.33171685 0.31082082 0.19737394 0.25309179 0.98043407 0.70815149 0.92928396 0.05129910 0.72266848 0.39895550 0.77169532 0.81782941 0.78794619 0.31322120 0.98202269 0.40031943 0.87437706 0.23171384 0.16421593 0.65570546 0.68203934 0.77055337 0.96620005 0.64529129 0.25503769 0.91995642 0.84973615 0.62205694 0.45258962 0.33940354 0.04118733 0.55561364 0.67198830 0.86323589 0.63498881 0.15644208 0.52253930 0.24124025 0.37694438 0.18392191 0.92661259 0.85424322 0.28212613 0.66202781 0.87351013 0.31757844 0.26557332 0.58568012 0.34950365 0.63164074 0.41841809 0.90490906 0.19982567 0.14709455 0.38827998 0.86006119 0.51068547 0.64232141 0.52163309 0.96246680 0.88884256 0.75442464 0.84857170 0.51157377 0.99817978 0.07792863 0.49616011 0.55965952 0.34096430 0.37856005 0.66145055 0.14676501 0.74671737 0.76157855 0.62174471 0.13347118 0.39213786 0.16743949 0.94856089 0.04033786 0.98446087 0.76786279 0.17460940 0.44397072 0.34159672 0.35926588 0.46115659 0.92896068 0.86421560 0.15259248 0.15704223 0.21665145 0.66063674 0.92470164 0.26144059 0.53457369 0.36237466 0.12831395 0.20040636 0.76653925 0.44031793 0.40387444 0.66072003 0.10292626 0.75634022 0.64098908 0.75603391 0.88145137 0.06413128 0.01430645 0.16672554 0.23030161 0.49427486 0.99028368 0.95297397 0.45926519 Direct configuration= 5 0.85762517 0.44446295 0.38700638 0.32666560 0.05960548 0.07195993 0.34465469 0.93701632 0.39868969 0.31393379 0.71685412 0.57217275 0.98137353 0.93637901 0.09229984 0.53715518 0.06935128 0.23066244 0.74806887 0.86089999 0.81023257 0.22611789 0.89858586 0.87413643 0.07115619 0.85242698 0.32286644 0.44493335 0.89530521 0.68335339 0.30842550 0.48197141 0.14856056 0.53675644 0.77131426 0.20779716 0.44964649 0.54187322 0.37074432 0.06808771 0.34846742 0.20698412 0.80611635 0.20856480 0.95414302 0.55350334 0.10109006 0.88478593 0.73138873 0.40864034 0.12113034 0.00879435 0.34689079 0.59749864 0.82354676 0.71060816 0.05865649 0.30257400 0.20924518 0.33763565 0.18513842 0.58292316 0.81023422 0.54339647 0.49515953 0.00777619 0.00375772 0.74593427 0.86690281 0.06532580 0.63940658 0.39289621 0.58853394 0.93644953 0.47647678 0.80845338 0.04071313 0.36014457 0.93426946 0.14876109 0.17957215 0.05688294 0.60144714 0.11280103 0.26224292 0.79992055 0.14563768 0.01199342 0.13754450 0.45612619 0.46220142 0.75518532 0.94888873 0.70415807 0.19206271 0.60077116 0.94768689 0.05452427 0.83679465 0.47903373 0.52188096 0.66291979 0.47515481 0.33125762 0.80452826 0.91022393 0.59640768 0.61610972 0.47319796 0.17499560 0.50719192 0.68004353 0.67053053 0.56495133 0.12915165 0.91240836 0.61825897 0.27331893 0.42080139 0.49644621 0.85874590 0.87590431 0.59859918 0.62262040 0.33222638 0.31380223 0.19940061 0.25723984 0.97622469 0.70932663 0.92886904 0.05023773 0.72519254 0.39947945 0.77237768 0.81225115 0.78497083 0.31511706 0.98058084 0.39713375 0.87750348 0.23275137 0.16473221 0.65690629 0.68109088 0.77125837 0.96563577 0.64507117 0.25494962 0.91956533 0.85080067 0.61929325 0.45311576 0.33858112 0.04157693 0.55670716 0.67359947 0.86032556 0.63458491 0.15445705 0.52320893 0.24169211 0.37748547 0.18371499 0.92590131 0.85410764 0.28205340 0.66183318 0.87125147 0.31773369 0.26636588 0.58593902 0.34697531 0.63141384 0.41827268 0.90592206 0.20078349 0.14687009 0.38868978 0.85857431 0.50948942 0.64204471 0.52424024 0.96034175 0.89042985 0.75302293 0.84781145 0.51035321 0.99873583 0.07717300 0.49642041 0.56143931 0.34194243 0.38052650 0.66341938 0.14710000 0.74627454 0.76184740 0.62154307 0.13330150 0.39212437 0.16467786 0.94817353 0.04131824 0.98669576 0.76707422 0.17266613 0.44381625 0.34177615 0.36091484 0.46112726 0.92998023 0.86286934 0.15123737 0.15878770 0.21503254 0.66127165 0.92436154 0.26206174 0.53594780 0.36124797 0.12621099 0.20076175 0.76810599 0.44083342 0.40409740 0.66069505 0.10167978 0.75691852 0.64113738 0.75733481 0.88477851 0.06242668 0.01378850 0.16815846 0.23139981 0.49362835 0.98867847 0.95387658 0.45786413