M6_341_800_D2_0.02_e5_accurate 1 9.940431 0.000000 -0.037011 4.970216 3.601180 -0.018506 -3.778806 0.000000 23.939378 Mg S O H 4 4 40 48 Direct configuration= 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.06132613 0.87734775 0.25000000 0.93867387 0.12265225 0.75000000 0.42295569 0.89314032 0.12324853 0.68390399 0.89314032 0.37675147 0.57704431 0.10685968 0.87675147 0.31609601 0.10685968 0.62324853 0.17863424 0.18868057 0.13589391 0.63268519 0.18868057 0.36410609 0.82136576 0.81131943 0.86410609 0.36731481 0.81131943 0.63589391 0.54879833 0.88224846 0.16794296 0.56895321 0.88224846 0.33205704 0.45120167 0.11775154 0.83205704 0.43104679 0.11775154 0.66794296 0.42207405 0.98086054 0.06804412 0.59706541 0.98086054 0.43195588 0.57792595 0.01913946 0.93195588 0.40293459 0.01913946 0.56804412 0.53702640 0.52471158 0.11823125 0.93826202 0.52471158 0.38176875 0.46297360 0.47528842 0.88176875 0.06173798 0.47528842 0.61823125 0.86879208 0.44113263 0.04622793 0.69007528 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0.92612991 0.57423167 0.73576793 0.49963842 0.57423167 0.76423207 0.00567579 0.65606723 0.15674957 0.33825698 0.65606723 0.34325043 0.99432421 0.34393277 0.84325043 0.66174302 0.34393277 0.65674957 0.78782973 0.10268701 0.15427551 0.10948326 0.10268701 0.34572449 0.21217027 0.89731299 0.84572449 0.89051674 0.89731299 0.65427551 M6_341_800_D2_0.02_e5_accurate 1 9.939555 0.000000 -0.038314 4.969778 3.600853 -0.019157 -3.781606 -0.000000 23.940575 Mg S O H 4 4 40 48 Direct configuration= 2 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.50000000 0.06101937 0.87796127 0.25000000 0.93898063 0.12203873 0.75000000 0.42299299 0.89304422 0.12317466 0.68396279 0.89304422 0.37682534 0.57700701 0.10695578 0.87682534 0.31603721 0.10695578 0.62317466 0.17890712 0.18831472 0.13585743 0.63277815 0.18831472 0.36414257 0.82109288 0.81168528 0.86414257 0.36722185 0.81168528 0.63585743 0.54892743 0.88218021 0.16798036 0.56889236 0.88218021 0.33201964 0.45107257 0.11781979 0.83201964 0.43110764 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0.32103207 0.08716905 0.11648868 0.82103207 0.79634227 0.11648868 0.67896793 0.96647521 0.37836445 0.07970466 0.65516034 0.37836445 0.42029534 0.03352479 0.62163555 0.92029534 0.34483966 0.62163555 0.57970466 0.70762131 0.64847233 0.05565708 0.64390636 0.64847233 0.44434292 0.29237869 0.35152767 0.94434292 0.35609364 0.35152767 0.55565708 0.27489911 0.41837365 0.06639039 0.30672725 0.41837365 0.43360961 0.72510089 0.58162635 0.93360961 0.69327275 0.58162635 0.56639039 0.32442150 0.60235832 0.09058851 0.07322018 0.60235832 0.40941149 0.67557850 0.39764168 0.90941149 0.92677982 0.39764168 0.59058851 0.65954173 0.27148124 0.05204284 0.06897702 0.27148124 0.44795716 0.34045827 0.72851876 0.94795716 0.93102298 0.72851876 0.55204284 0.68779748 0.07027616 0.99585526 0.24192636 0.07027616 0.50414474 0.31220252 0.92972384 0.00414474 0.75807364 0.92972384 0.49585526 0.73130787 0.19837697 0.31003875 0.07031516 0.19837697 0.18996125 0.26869213 0.80162303 0.68996125 0.92968484 0.80162303 0.81003875 0.67104506 0.51752873 0.29840432 0.81142621 0.51752873 0.20159568 0.32895494 0.48247127 0.70159568 0.18857379 0.48247127 0.79840432 0.28747706 0.26895614 0.30159040 0.44356680 0.26895614 0.19840960 0.71252294 0.73104386 0.69840960 0.55643320 0.73104386 0.80159040 0.07391686 0.42570136 0.26422134 0.50038179 0.42570136 0.23577866 0.92608314 0.57429864 0.73577866 0.49961821 0.57429864 0.76422134 0.00563282 0.65619704 0.15674583 0.33817014 0.65619704 0.34325417 0.99436718 0.34380296 0.84325417 0.66182986 0.34380296 0.65674583 0.78798509 0.10251478 0.15433214 0.10950013 0.10251478 0.34566786 0.21201491 0.89748522 0.84566786 0.89049987 0.89748522 0.65433214 M6_341_800_D2_0.02_e5_accurate 1 9.939582 0.000000 -0.038273 4.969791 3.600863 -0.019137 -3.781518 -0.000000 23.940538 Mg S O H 4 4 40 48 Direct configuration= 3 0.00000000 0.00000000 -0.00000000 0.00000000 0.00000000 0.50000000 0.06102896 0.87794209 0.25000000 0.93897104 0.12205791 0.75000000 0.42299183 0.89304723 0.12317697 0.68396095 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M6_341_800_D2_0.02_e5_accurate 1 9.939060 0.000000 -0.039135 4.969530 3.600817 -0.019568 -3.783392 -0.000000 23.941408 Mg S O H 4 4 40 48 Direct configuration= 4 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06088372 0.87823256 0.25000000 0.93911628 0.12176744 0.75000000 0.42308335 0.89301141 0.12319362 0.68390524 0.89301141 0.37680638 0.57691665 0.10698859 0.87680638 0.31609476 0.10698859 0.62319362 0.17895566 0.18824045 0.13583980 0.63280389 0.18824045 0.36416020 0.82104434 0.81175955 0.86416020 0.36719611 0.81175955 0.63583980 0.54894865 0.88213542 0.16797385 0.56891593 0.88213542 0.33202615 0.45105135 0.11786458 0.83202615 0.43108407 0.11786458 0.66797385 0.42180892 0.98148514 0.06805217 0.59670594 0.98148514 0.43194783 0.57819108 0.01851486 0.93194783 0.40329406 0.01851486 0.56805217 0.53676232 0.52502035 0.11827177 0.93821733 0.52502035 0.38172823 0.46323768 0.47497965 0.88172823 0.06178267 0.47497965 0.61827177 0.86880385 0.44128183 0.04621432 0.68991432 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0.92608109 0.57430750 0.73578791 0.49961141 0.57430750 0.76421209 0.00563889 0.65619930 0.15673757 0.33816181 0.65619930 0.34326243 0.99436111 0.34380070 0.84326243 0.66183819 0.34380070 0.65673757 0.78801647 0.10250897 0.15435011 0.10947457 0.10250897 0.34564989 0.21198353 0.89749103 0.84564989 0.89052543 0.89749103 0.65435011 M6_341_800_D2_0.02_e5_accurate 1 9.938201 0.000000 -0.040551 4.969101 3.600740 -0.020276 -3.786470 -0.000000 23.942839 Mg S O H 4 4 40 48 Direct configuration= 5 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06064508 0.87870985 0.25000000 0.93935492 0.12129015 0.75000000 0.42323375 0.89295257 0.12322099 0.68381369 0.89295257 0.37677901 0.57676625 0.10704743 0.87677901 0.31618631 0.10704743 0.62322099 0.17904944 0.18809961 0.13580895 0.63285095 0.18809961 0.36419105 0.82095056 0.81190039 0.86419105 0.36714905 0.81190039 0.63580895 0.54899015 0.88205832 0.16796508 0.56895153 0.88205832 0.33203492 0.45100985 0.11794168 0.83203492 0.43104847 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0.67121778 0.51752325 0.29838057 0.81125897 0.51752325 0.20161943 0.32878222 0.48247675 0.70161943 0.18874103 0.48247675 0.79838057 0.28728631 0.26892709 0.30153792 0.44378661 0.26892709 0.19846208 0.71271369 0.73107291 0.69846208 0.55621339 0.73107291 0.80153792 0.07392467 0.42567451 0.26419633 0.50040081 0.42567451 0.23580367 0.92607533 0.57432549 0.73580367 0.49959919 0.57432549 0.76419633 0.00564664 0.65620968 0.15672381 0.33814368 0.65620968 0.34327619 0.99435336 0.34379032 0.84327619 0.66185632 0.34379032 0.65672381 0.78807601 0.10249057 0.15438255 0.10943342 0.10249057 0.34561745 0.21192399 0.89750943 0.84561745 0.89056658 0.89750943 0.65438255 M6_341_800_D2_0.02_e5_accurate 1 9.937749 0.000000 -0.041138 4.968875 3.600796 -0.020569 -3.787708 -0.000000 23.943822 Mg S O H 4 4 40 48 Direct configuration= 6 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06055268 0.87889465 0.25000000 0.93944732 0.12110535 0.75000000 0.42320704 0.89300728 0.12321105 0.68378568 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M6_341_800_D2_0.02_e5_accurate 1 9.937246 0.000000 -0.041790 4.968623 3.600857 -0.020895 -3.789083 -0.000000 23.944915 Mg S O H 4 4 40 48 Direct configuration= 7 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06044993 0.87910016 0.25000000 0.93955007 0.12089984 0.75000000 0.42317735 0.89306812 0.12320001 0.68375453 0.89306812 0.37679999 0.57682265 0.10693188 0.87679999 0.31624547 0.10693188 0.62320001 0.17897532 0.18821164 0.13579084 0.63281305 0.18821164 0.36420916 0.82102468 0.81178836 0.86420916 0.36718695 0.81178836 0.63579084 0.54921124 0.88187956 0.16798301 0.56890920 0.88187956 0.33201699 0.45078876 0.11812044 0.83201699 0.43109080 0.11812044 0.66798301 0.42169998 0.98187093 0.06804330 0.59642908 0.98187093 0.43195670 0.57830002 0.01812907 0.93195670 0.40357092 0.01812907 0.56804330 0.53663326 0.52511059 0.11827603 0.93825614 0.52511059 0.38172397 0.46336674 0.47488941 0.88172397 0.06174386 0.47488941 0.61827603 0.86885762 0.44135840 0.04618102 0.68978397 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0.92615970 0.57422675 0.73584071 0.49961355 0.57422675 0.76415929 0.00572824 0.65608540 0.15669671 0.33818636 0.65608540 0.34330329 0.99427176 0.34391460 0.84330329 0.66181364 0.34391460 0.65669671 0.78808120 0.10259274 0.15440695 0.10932606 0.10259274 0.34559305 0.21191880 0.89740726 0.84559305 0.89067394 0.89740726 0.65440695 M6_341_800_D2_0.02_e5_accurate 1 9.936415 0.000000 -0.042617 4.968207 3.600970 -0.021309 -3.790753 -0.000000 23.946223 Mg S O H 4 4 40 48 Direct configuration= 8 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06039440 0.87921121 0.25000000 0.93960560 0.12078879 0.75000000 0.42315993 0.89311331 0.12320245 0.68372676 0.89311331 0.37679755 0.57684007 0.10688669 0.87679755 0.31627324 0.10688669 0.62320245 0.17889248 0.18835051 0.13578566 0.63275701 0.18835051 0.36421434 0.82110752 0.81164949 0.86421434 0.36724299 0.81164949 0.63578566 0.54930754 0.88178654 0.16797783 0.56890592 0.88178654 0.33202217 0.45069246 0.11821346 0.83202217 0.43109408 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0.67151699 0.51710694 0.29836889 0.81137608 0.51710694 0.20163111 0.32848301 0.48289306 0.70163111 0.18862392 0.48289306 0.79836889 0.28707069 0.26900502 0.30148229 0.44392429 0.26900502 0.19851771 0.71292931 0.73099498 0.69851771 0.55607571 0.73099498 0.80148229 0.07375351 0.42588023 0.26412986 0.50036626 0.42588023 0.23587014 0.92624649 0.57411977 0.73587014 0.49963374 0.57411977 0.76412986 0.00576146 0.65607250 0.15669023 0.33816603 0.65607250 0.34330977 0.99423854 0.34392750 0.84330977 0.66183397 0.34392750 0.65669023 0.78812034 0.10259497 0.15442855 0.10928470 0.10259497 0.34557145 0.21187966 0.89740503 0.84557145 0.89071530 0.89740503 0.65442855 M6_341_800_D2_0.02_e5_accurate 1 9.933920 -0.000000 -0.045098 4.966960 3.601306 -0.022549 -3.795764 0.000000 23.950147 Mg S O H 4 4 40 48 Direct configuration= 9 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06022782 0.87954437 0.25000000 0.93977218 0.12045563 0.75000000 0.42310770 0.89324888 0.12320978 0.68364342 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M6_341_800_D2_0.02_e5_accurate 1 9.932848 -0.000000 -0.045716 4.966424 3.601364 -0.022858 -3.796832 0.000000 23.952688 Mg S O H 4 4 40 48 Direct configuration= 10 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06025699 0.87948604 0.25000000 0.93974301 0.12051396 0.75000000 0.42311408 0.89326146 0.12321701 0.68362446 0.89326146 0.37678299 0.57688592 0.10673854 0.87678299 0.31637554 0.10673854 0.62321701 0.17866523 0.18881049 0.13576565 0.63252428 0.18881049 0.36423435 0.82133477 0.81118951 0.86423435 0.36747572 0.81118951 0.63576565 0.54962454 0.88148823 0.16794713 0.56888723 0.88148823 0.33205287 0.45037546 0.11851177 0.83205287 0.43111277 0.11851177 0.66794713 0.42203032 0.98144561 0.06808283 0.59652406 0.98144561 0.43191717 0.57796968 0.01855439 0.93191717 0.40347594 0.01855439 0.56808283 0.53662866 0.52532124 0.11820137 0.93805011 0.52532124 0.38179863 0.46337134 0.47467876 0.88179863 0.06194989 0.47467876 0.61820137 0.86907499 0.44109365 0.04605517 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0.35236326 0.55541248 0.27443911 0.41868108 0.06627357 0.30687983 0.41868108 0.43372643 0.72556089 0.58131892 0.93372643 0.69312017 0.58131892 0.56627357 0.32302835 0.60417655 0.09064344 0.07279511 0.60417655 0.40935656 0.67697165 0.39582345 0.90935656 0.92720489 0.39582345 0.59064344 0.65877409 0.27284629 0.05188459 0.06837961 0.27284629 0.44811541 0.34122591 0.72715371 0.94811541 0.93162039 0.72715371 0.55188459 0.68715956 0.07168711 0.99565236 0.24115333 0.07168711 0.50434764 0.31284044 0.92831289 0.00434764 0.75884667 0.92831289 0.49565236 0.73211074 0.19721684 0.31004454 0.07067241 0.19721684 0.18995546 0.26788926 0.80278316 0.68995546 0.92932759 0.80278316 0.81004454 0.67189215 0.51669909 0.29841808 0.81140876 0.51669909 0.20158192 0.32810785 0.48330091 0.70158192 0.18859124 0.48330091 0.79841808 0.28685986 0.26903036 0.30141360 0.44410978 0.26903036 0.19858640 0.71314014 0.73096964 0.69858640 0.55589022 0.73096964 0.80141360 0.07330909 0.42632252 0.26398300 0.50036839 0.42632252 0.23601700 0.92669091 0.57367748 0.73601700 0.49963161 0.57367748 0.76398300 0.00590338 0.65603562 0.15666279 0.33806100 0.65603562 0.34333721 0.99409662 0.34396438 0.84333721 0.66193900 0.34396438 0.65666279 0.78828398 0.10260583 0.15451325 0.10911020 0.10260583 0.34548675 0.21171602 0.89739417 0.84548675 0.89088980 0.89739417 0.65451325 M6_341_800_D2_0.02_e5_accurate 1 9.932369 -0.000000 -0.045992 4.966185 3.601390 -0.022996 -3.797309 0.000000 23.953822 Mg S O H 4 4 40 48 Direct configuration= 11 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06027000 0.87946001 0.25000000 0.93973000 0.12053999 0.75000000 0.42311693 0.89326708 0.12322024 0.68361599 0.89326708 0.37677976 0.57688307 0.10673292 0.87677976 0.31638401 0.10673292 0.62322024 0.17867471 0.18882984 0.13576366 0.63249544 0.18882984 0.36423634 0.82132529 0.81117016 0.86423634 0.36750456 0.81117016 0.63576366 0.54963708 0.88147964 0.16794035 0.56888328 0.88147964 0.33205965 0.45036292 0.11852036 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0.20327190 0.88283587 0.32102599 0.08610777 0.11716413 0.82102599 0.79672810 0.11716413 0.67897401 0.96705209 0.37697937 0.07962458 0.65596854 0.37697937 0.42037542 0.03294791 0.62302063 0.92037542 0.34403146 0.62302063 0.57962458 0.70790980 0.64757524 0.05540156 0.64451495 0.64757524 0.44459844 0.29209020 0.35242476 0.94459844 0.35548505 0.35242476 0.55540156 0.27440185 0.41873932 0.06626911 0.30685884 0.41873932 0.43373089 0.72559815 0.58126068 0.93373089 0.69314116 0.58126068 0.56626911 0.32294630 0.60426853 0.09065038 0.07278517 0.60426853 0.40934962 0.67705370 0.39573147 0.90934962 0.92721483 0.39573147 0.59065038 0.65873508 0.27291517 0.05187168 0.06834975 0.27291517 0.44812832 0.34126492 0.72708483 0.94812832 0.93165025 0.72708483 0.55187168 0.68710697 0.07177110 0.99563511 0.24112193 0.07177110 0.50436489 0.31289303 0.92822890 0.00436489 0.75887807 0.92822890 0.49563511 0.73215864 0.19717050 0.31005046 0.07067085 0.19717050 0.18994954 0.26784136 0.80282950 0.68994954 0.92932915 0.80282950 0.81005046 0.67193874 0.51665019 0.29842873 0.81141106 0.51665019 0.20157127 0.32806126 0.48334981 0.70157127 0.18858894 0.48334981 0.79842873 0.28681331 0.26906531 0.30140189 0.44412139 0.26906531 0.19859811 0.71318669 0.73093469 0.69859811 0.55587861 0.73093469 0.80140189 0.07322697 0.42637668 0.26395686 0.50039635 0.42637668 0.23604314 0.92677303 0.57362332 0.73604314 0.49960365 0.57362332 0.76395686 0.00592223 0.65603643 0.15665921 0.33804133 0.65603643 0.34334079 0.99407777 0.34396357 0.84334079 0.66195867 0.34396357 0.65665921 0.78830460 0.10260769 0.15452213 0.10908771 0.10260769 0.34547787 0.21169540 0.89739231 0.84547787 0.89091229 0.89739231 0.65452213 M6_341_800_D2_0.02_e5_accurate 1 9.930775 -0.000000 -0.046620 4.965388 3.601615 -0.023310 -3.798197 0.000000 23.957771 Mg S O H 4 4 40 48 Direct configuration= 12 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06040442 0.87919117 0.25000000 0.93959558 0.12080883 0.75000000 0.42315287 0.89324559 0.12321154 0.68360155 0.89324559 0.37678846 0.57684713 0.10675441 0.87678846 0.31639845 0.10675441 0.62321154 0.17877042 0.18879659 0.13576467 0.63243299 0.18879659 0.36423533 0.82122958 0.81120341 0.86423533 0.36756701 0.81120341 0.63576467 0.54962416 0.88153073 0.16793212 0.56884511 0.88153073 0.33206788 0.45037584 0.11846927 0.83206788 0.43115489 0.11846927 0.66793212 0.42212134 0.98131031 0.06809574 0.59656835 0.98131031 0.43190426 0.57787866 0.01868969 0.93190426 0.40343165 0.01868969 0.56809574 0.53656744 0.52546098 0.11817883 0.93797158 0.52546098 0.38182117 0.46343256 0.47453902 0.88182117 0.06202842 0.47453902 0.61817883 0.86919865 0.44090900 0.04600295 0.68989235 0.44090900 0.45399705 0.13080135 0.55909100 0.95399705 0.31010765 0.55909100 0.54600295 0.20531464 0.65725907 0.06928909 0.13742630 0.65725907 0.43071091 0.79468536 0.34274093 0.93071091 0.86257370 0.34274093 0.56928909 0.75452241 0.11020601 0.02087669 0.13527159 0.11020601 0.47912331 0.24547759 0.88979399 0.97912331 0.86472841 0.88979399 0.52087669 0.73356178 0.29435714 0.28082638 0.97208108 0.29435714 0.21917362 0.26643822 0.70564286 0.71917362 0.02791892 0.70564286 0.78082638 0.13419765 0.49134694 0.28157109 0.37445541 0.49134694 0.21842891 0.86580235 0.50865306 0.71842891 0.62554459 0.50865306 0.78157109 0.91398531 0.88279944 0.17896743 0.20321525 0.88279944 0.32103257 0.08601469 0.11720056 0.82103257 0.79678475 0.11720056 0.67896743 0.96703351 0.37692046 0.07960416 0.65604604 0.37692046 0.42039584 0.03296649 0.62307954 0.92039584 0.34395396 0.62307954 0.57960416 0.70800074 0.64743635 0.05537866 0.64456291 0.64743635 0.44462134 0.29199926 0.35256365 0.94462134 0.35543709 0.35256365 0.55537866 0.27430321 0.41886296 0.06625833 0.30683384 0.41886296 0.43374167 0.72569679 0.58113704 0.93374167 0.69316616 0.58113704 0.56625833 0.32272483 0.60449482 0.09066687 0.07278035 0.60449482 0.40933313 0.67727517 0.39550518 0.90933313 0.92721965 0.39550518 0.59066687 0.65860878 0.27313038 0.05185151 0.06826082 0.27313038 0.44814849 0.34139122 0.72686962 0.94814849 0.93173918 0.72686962 0.55185151 0.68699417 0.07198728 0.99560168 0.24101855 0.07198728 0.50439832 0.31300583 0.92801272 0.00439832 0.75898145 0.92801272 0.49560168 0.73227997 0.19707905 0.31006322 0.07064097 0.19707905 0.18993678 0.26772003 0.80292095 0.68993678 0.92935903 0.80292095 0.81006322 0.67206720 0.51645602 0.29845451 0.81147678 0.51645602 0.20154549 0.32793280 0.48354398 0.70154549 0.18852322 0.48354398 0.79845451 0.28674949 0.26908685 0.30137907 0.44416367 0.26908685 0.19862093 0.71325051 0.73091315 0.69862093 0.55583633 0.73091315 0.80137907 0.07305680 0.42656001 0.26389983 0.50038319 0.42656001 0.23610017 0.92694320 0.57343999 0.73610017 0.49961681 0.57343999 0.76389983 0.00597952 0.65602232 0.15664501 0.33799815 0.65602232 0.34335499 0.99402048 0.34397768 0.84335499 0.66200185 0.34397768 0.65664501 0.78832655 0.10264740 0.15452806 0.10902605 0.10264740 0.34547194 0.21167345 0.89735260 0.84547194 0.89097395 0.89735260 0.65452806 M6_341_800_D2_0.02_e5_accurate 1 9.927995 -0.000000 -0.047716 4.963998 3.602007 -0.023858 -3.799745 0.000000 23.964657 Mg S O H 4 4 40 48 Direct configuration= 13 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06063882 0.87872237 0.25000000 0.93936118 0.12127763 0.75000000 0.42321555 0.89320811 0.12319639 0.68357634 0.89320811 0.37680361 0.57678445 0.10679189 0.87680361 0.31642366 0.10679189 0.62319639 0.17893736 0.18873859 0.13576645 0.63232405 0.18873859 0.36423355 0.82106264 0.81126141 0.86423355 0.36767595 0.81126141 0.63576645 0.54960164 0.88161982 0.16791776 0.56877855 0.88161982 0.33208224 0.45039836 0.11838018 0.83208224 0.43122145 0.11838018 0.66791776 0.42222242 0.98115831 0.06810989 0.59661928 0.98115831 0.43189011 0.57777758 0.01884169 0.93189011 0.40338072 0.01884169 0.56810989 0.53648319 0.52562199 0.11815368 0.93789482 0.52562199 0.38184632 0.46351681 0.47437801 0.88184632 0.06210518 0.47437801 0.61815368 0.86936318 0.44066568 0.04594086 0.68997113 0.44066568 0.45405914 0.13063682 0.55933432 0.95405914 0.31002887 0.55933432 0.54594086 0.20493395 0.65770041 0.06929874 0.13736564 0.65770041 0.43070126 0.79506605 0.34229959 0.93070126 0.86263436 0.34229959 0.56929874 0.75453944 0.11007372 0.02087620 0.13538683 0.11007372 0.47912380 0.24546056 0.88992628 0.97912380 0.86461317 0.88992628 0.52087620 0.73368024 0.29419364 0.28082432 0.97212612 0.29419364 0.21917568 0.26631976 0.70580636 0.71917568 0.02787388 0.70580636 0.78082432 0.13406876 0.49135067 0.28151316 0.37458057 0.49135067 0.21848684 0.86593124 0.50864933 0.71848684 0.62541943 0.50864933 0.78151316 0.91414766 0.88273592 0.17895595 0.20311642 0.88273592 0.32104405 0.08585234 0.11726408 0.82104405 0.79688358 0.11726408 0.67895595 0.96700108 0.37681772 0.07956857 0.65618120 0.37681772 0.42043143 0.03299892 0.62318228 0.92043143 0.34381880 0.62318228 0.57956857 0.70815932 0.64719414 0.05533873 0.64464654 0.64719414 0.44466127 0.29184068 0.35280586 0.94466127 0.35535346 0.35280586 0.55533873 0.27413118 0.41907857 0.06623953 0.30679026 0.41907857 0.43376047 0.72586882 0.58092143 0.93376047 0.69320974 0.58092143 0.56623953 0.32233857 0.60488943 0.09069562 0.07277200 0.60488943 0.40930438 0.67766143 0.39511057 0.90930438 0.92722800 0.39511057 0.59069562 0.65838853 0.27350569 0.05181632 0.06810577 0.27350569 0.44818368 0.34161147 0.72649431 0.94818368 0.93189423 0.72649431 0.55181632 0.68679746 0.07236427 0.99554340 0.24083827 0.07236427 0.50445660 0.31320254 0.92763573 0.00445660 0.75916173 0.92763573 0.49554340 0.73249159 0.19691958 0.31008547 0.07058883 0.19691958 0.18991453 0.26750841 0.80308042 0.68991453 0.92941117 0.80308042 0.81008547 0.67229122 0.51611740 0.29849947 0.81159138 0.51611740 0.20150053 0.32770878 0.48388260 0.70150053 0.18840862 0.48388260 0.79849947 0.28663818 0.26912441 0.30133928 0.44423742 0.26912441 0.19866072 0.71336182 0.73087559 0.69866072 0.55576258 0.73087559 0.80133928 0.07276002 0.42687972 0.26380038 0.50036026 0.42687972 0.23619962 0.92723998 0.57312028 0.73619962 0.49963974 0.57312028 0.76380038 0.00607945 0.65599772 0.15662026 0.33792283 0.65599772 0.34337974 0.99392055 0.34400228 0.84337974 0.66207717 0.34400228 0.65662026 0.78836485 0.10271664 0.15453840 0.10891851 0.10271664 0.34546160 0.21163515 0.89728336 0.84546160 0.89108149 0.89728336 0.65453840 M6_341_800_D2_0.02_e5_accurate 1 9.926568 -0.000000 -0.048066 4.963284 3.602463 -0.024033 -3.800013 0.000000 23.970894 Mg S O H 4 4 40 48 Direct configuration= 14 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06087910 0.87824181 0.25000000 0.93912090 0.12175819 0.75000000 0.42328207 0.89318065 0.12318098 0.68353728 0.89318065 0.37681902 0.57671793 0.10681935 0.87681902 0.31646272 0.10681935 0.62318098 0.17894400 0.18880410 0.13577304 0.63225190 0.18880410 0.36422696 0.82105600 0.81119590 0.86422696 0.36774810 0.81119590 0.63577304 0.54966380 0.88166854 0.16793353 0.56866766 0.88166854 0.33206647 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0.88275049 0.17893465 0.20304593 0.88275049 0.32106535 0.08579642 0.11724951 0.82106535 0.79695407 0.11724951 0.67893465 0.96702988 0.37671961 0.07954655 0.65625051 0.37671961 0.42045345 0.03297012 0.62328039 0.92045345 0.34374949 0.62328039 0.57954655 0.70830349 0.64698383 0.05530247 0.64471269 0.64698383 0.44469753 0.29169651 0.35301617 0.94469753 0.35528731 0.35301617 0.55530247 0.27394896 0.41930889 0.06622468 0.30674216 0.41930889 0.43377532 0.72605104 0.58069111 0.93377532 0.69325784 0.58069111 0.56622468 0.32206704 0.60519476 0.09072315 0.07273820 0.60519476 0.40927685 0.67793296 0.39480524 0.90927685 0.92726180 0.39480524 0.59072315 0.65828504 0.27366381 0.05177424 0.06805114 0.27366381 0.44822576 0.34171496 0.72633619 0.94822576 0.93194886 0.72633619 0.55177424 0.68665643 0.07264855 0.99550990 0.24069502 0.07264855 0.50449010 0.31334357 0.92735145 0.00449010 0.75930498 0.92735145 0.49550990 0.73266159 0.19677524 0.31009164 0.07056316 0.19677524 0.18990836 0.26733841 0.80322476 0.68990836 0.92943684 0.80322476 0.81009164 0.67245993 0.51584133 0.29852299 0.81169874 0.51584133 0.20147701 0.32754007 0.48415867 0.70147701 0.18830126 0.48415867 0.79852299 0.28654010 0.26914553 0.30130537 0.44431437 0.26914553 0.19869463 0.71345990 0.73085447 0.69869463 0.55568563 0.73085447 0.80130537 0.07259970 0.42708133 0.26373473 0.50031898 0.42708133 0.23626527 0.92740030 0.57291867 0.73626527 0.49968102 0.57291867 0.76373473 0.00613098 0.65604544 0.15660288 0.33782358 0.65604544 0.34339712 0.99386902 0.34395456 0.84339712 0.66217642 0.34395456 0.65660288 0.78842016 0.10269890 0.15453708 0.10888093 0.10269890 0.34546292 0.21157984 0.89730110 0.84546292 0.89111907 0.89730110 0.65453708 M6_341_800_D2_0.02_e5_accurate 1 9.926097 -0.000000 -0.048181 4.963049 3.602613 -0.024091 -3.800101 0.000000 23.972949 Mg S O H 4 4 40 48 Direct configuration= 15 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06095824 0.87808352 0.25000000 0.93904176 0.12191648 0.75000000 0.42330399 0.89317161 0.12317591 0.68352440 0.89317161 0.37682409 0.57669601 0.10682839 0.87682409 0.31647560 0.10682839 0.62317591 0.17894619 0.18882568 0.13577521 0.63222813 0.18882568 0.36422479 0.82105381 0.81117432 0.86422479 0.36777187 0.81117432 0.63577521 0.54968429 0.88168459 0.16793873 0.56863113 0.88168459 0.33206127 0.45031571 0.11831541 0.83206127 0.43136887 0.11831541 0.66793873 0.42230522 0.98112781 0.06807881 0.59656697 0.98112781 0.43192119 0.57769478 0.01887219 0.93192119 0.40343303 0.01887219 0.56807881 0.53647638 0.52547523 0.11813954 0.93804838 0.52547523 0.38186046 0.46352362 0.47452477 0.88186046 0.06195162 0.47452477 0.61813954 0.86936850 0.44064638 0.04590027 0.68998511 0.44064638 0.45409973 0.13063150 0.55935362 0.95409973 0.31001489 0.55935362 0.54590027 0.20467728 0.65796161 0.06931750 0.13736111 0.65796161 0.43068250 0.79532272 0.34203839 0.93068250 0.86263889 0.34203839 0.56931750 0.75437967 0.11019731 0.02087098 0.13542302 0.11019731 0.47912902 0.24562033 0.88980269 0.97912902 0.86457698 0.88980269 0.52087098 0.73369885 0.29420642 0.28086239 0.97209473 0.29420642 0.21913761 0.26630115 0.70579358 0.71913761 0.02790527 0.70579358 0.78086239 0.13389426 0.49133526 0.28144941 0.37477049 0.49133526 0.21855059 0.86610574 0.50866474 0.71855059 0.62522951 0.50866474 0.78144941 0.91422200 0.88275528 0.17892763 0.20302271 0.88275528 0.32107237 0.08577800 0.11724472 0.82107237 0.79697729 0.11724472 0.67892763 0.96703937 0.37668729 0.07953930 0.65627334 0.37668729 0.42046070 0.03296063 0.62331271 0.92046070 0.34372666 0.62331271 0.57953930 0.70835097 0.64691456 0.05529053 0.64473447 0.64691456 0.44470947 0.29164903 0.35308544 0.94470947 0.35526553 0.35308544 0.55529053 0.27388893 0.41938475 0.06621979 0.30672633 0.41938475 0.43378021 0.72611107 0.58061525 0.93378021 0.69327367 0.58061525 0.56621979 0.32197759 0.60529533 0.09073222 0.07272708 0.60529533 0.40926778 0.67802241 0.39470467 0.90926778 0.92727292 0.39470467 0.59073222 0.65825096 0.27371589 0.05176037 0.06803314 0.27371589 0.44823963 0.34174904 0.72628411 0.94823963 0.93196686 0.72628411 0.55176037 0.68660998 0.07274218 0.99549887 0.24064784 0.07274218 0.50450113 0.31339002 0.92725782 0.00450113 0.75935216 0.92725782 0.49549887 0.73271760 0.19672770 0.31009367 0.07055469 0.19672770 0.18990633 0.26728240 0.80327230 0.68990633 0.92944531 0.80327230 0.81009367 0.67251550 0.51575040 0.29853073 0.81173410 0.51575040 0.20146927 0.32748450 0.48424960 0.70146927 0.18826590 0.48424960 0.79853073 0.28650779 0.26915249 0.30129420 0.44433972 0.26915249 0.19870580 0.71349221 0.73084751 0.69870580 0.55566028 0.73084751 0.80129420 0.07254689 0.42714773 0.26371312 0.50030538 0.42714773 0.23628688 0.92745311 0.57285227 0.73628688 0.49969462 0.57285227 0.76371312 0.00614795 0.65606116 0.15659715 0.33779089 0.65606116 0.34340285 0.99385205 0.34393884 0.84340285 0.66220911 0.34393884 0.65659715 0.78843839 0.10269306 0.15453665 0.10886855 0.10269306 0.34546335 0.21156161 0.89730694 0.84546335 0.89113145 0.89730694 0.65453665 M6_341_800_D2_0.02_e5_accurate 1 9.925074 -0.000000 -0.048274 4.962537 3.603222 -0.024137 -3.799900 0.000000 23.979925 Mg S O H 4 4 40 48 Direct configuration= 16 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06121971 0.87756059 0.25000000 0.93878029 0.12243941 0.75000000 0.42340156 0.89308817 0.12317515 0.68351027 0.89308817 0.37682485 0.57659844 0.10691183 0.87682485 0.31648973 0.10691183 0.62317515 0.17895628 0.18885927 0.13577074 0.63218444 0.18885927 0.36422926 0.82104372 0.81114073 0.86422926 0.36781556 0.81114073 0.63577074 0.54975010 0.88170647 0.16793764 0.56854344 0.88170647 0.33206236 0.45024990 0.11829353 0.83206236 0.43145656 0.11829353 0.66793764 0.42237608 0.98111672 0.06805550 0.59650720 0.98111672 0.43194450 0.57762392 0.01888328 0.93194450 0.40349280 0.01888328 0.56805550 0.53643963 0.52546382 0.11813669 0.93809656 0.52546382 0.38186331 0.46356037 0.47453618 0.88186331 0.06190344 0.47453618 0.61813669 0.86948585 0.44051694 0.04588320 0.68999721 0.44051694 0.45411680 0.13051415 0.55948306 0.95411680 0.31000279 0.55948306 0.54588320 0.20447447 0.65816043 0.06933138 0.13736510 0.65816043 0.43066862 0.79552553 0.34183957 0.93066862 0.86263490 0.34183957 0.56933138 0.75426840 0.11034510 0.02084751 0.13538651 0.11034510 0.47915249 0.24573160 0.88965490 0.97915249 0.86461349 0.88965490 0.52084751 0.73374832 0.29413887 0.28088084 0.97211281 0.29413887 0.21911916 0.26625168 0.70586113 0.71911916 0.02788719 0.70586113 0.78088084 0.13385210 0.49132060 0.28142049 0.37482731 0.49132060 0.21857951 0.86614790 0.50867940 0.71857951 0.62517269 0.50867940 0.78142049 0.91427726 0.88275647 0.17890510 0.20296627 0.88275647 0.32109490 0.08572274 0.11724353 0.82109490 0.79703373 0.11724353 0.67890510 0.96709408 0.37657612 0.07950814 0.65632980 0.37657612 0.42049186 0.03290592 0.62342388 0.92049186 0.34367020 0.62342388 0.57950814 0.70836786 0.64687054 0.05525247 0.64476160 0.64687054 0.44474753 0.29163214 0.35312946 0.94474753 0.35523840 0.35312946 0.55525247 0.27365497 0.41965322 0.06620287 0.30669182 0.41965322 0.43379713 0.72634503 0.58034678 0.93379713 0.69330818 0.58034678 0.56620287 0.32172682 0.60562124 0.09077438 0.07265193 0.60562124 0.40922562 0.67827318 0.39437876 0.90922562 0.92734807 0.39437876 0.59077438 0.65810417 0.27390870 0.05172236 0.06798712 0.27390870 0.44827764 0.34189583 0.72609130 0.94827764 0.93201288 0.72609130 0.55172236 0.68640719 0.07306195 0.99546048 0.24053086 0.07306195 0.50453952 0.31359281 0.92693805 0.00453952 0.75946914 0.92693805 0.49546048 0.73291259 0.19647720 0.31011236 0.07061020 0.19647720 0.18988764 0.26708741 0.80352280 0.68988764 0.92938980 0.80352280 0.81011236 0.67264833 0.51562106 0.29856266 0.81173061 0.51562106 0.20143734 0.32735167 0.48437894 0.70143734 0.18826939 0.48437894 0.79856266 0.28631508 0.26924317 0.30124281 0.44444175 0.26924317 0.19875719 0.71368492 0.73075683 0.69875719 0.55555825 0.73075683 0.80124281 0.07236745 0.42723155 0.26362817 0.50040100 0.42723155 0.23637183 0.92763255 0.57276845 0.73637183 0.49959900 0.57276845 0.76362817 0.00618414 0.65616797 0.15657676 0.33764789 0.65616797 0.34342324 0.99381586 0.34383203 0.84342324 0.66235211 0.34383203 0.65657676 0.78848929 0.10267406 0.15451971 0.10883665 0.10267406 0.34548029 0.21151071 0.89732594 0.84548029 0.89116335 0.89732594 0.65451971 M6_341_800_D2_0.02_e5_accurate 1 9.924698 -0.000000 -0.048308 4.962349 3.603446 -0.024154 -3.799826 0.000000 23.982490 Mg S O H 4 4 40 48 Direct configuration= 17 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06131583 0.87736834 0.25000000 0.93868417 0.12263166 0.75000000 0.42343743 0.89305749 0.12317487 0.68350507 0.89305749 0.37682513 0.57656257 0.10694251 0.87682513 0.31649493 0.10694251 0.62317487 0.17895999 0.18887162 0.13576910 0.63216838 0.18887162 0.36423090 0.82104001 0.81112838 0.86423090 0.36783162 0.81112838 0.63576910 0.54977430 0.88171451 0.16793723 0.56851119 0.88171451 0.33206277 0.45022570 0.11828549 0.83206277 0.43148881 0.11828549 0.66793723 0.42240213 0.98111264 0.06804693 0.59648523 0.98111264 0.43195307 0.57759787 0.01888736 0.93195307 0.40351477 0.01888736 0.56804693 0.53642611 0.52545962 0.11813564 0.93811427 0.52545962 0.38186436 0.46357389 0.47454038 0.88186436 0.06188573 0.47454038 0.61813564 0.86952900 0.44046935 0.04587692 0.69000165 0.44046935 0.45412308 0.13047100 0.55953065 0.95412308 0.30999835 0.55953065 0.54587692 0.20439990 0.65823352 0.06933648 0.13736658 0.65823352 0.43066352 0.79560010 0.34176648 0.93066352 0.86263342 0.34176648 0.56933648 0.75422749 0.11039943 0.02083888 0.13537308 0.11039943 0.47916112 0.24577251 0.88960057 0.97916112 0.86462692 0.88960057 0.52083888 0.73376650 0.29411404 0.28088762 0.97211946 0.29411404 0.21911238 0.26623350 0.70588596 0.71911238 0.02788054 0.70588596 0.78088762 0.13383659 0.49131521 0.28140986 0.37484820 0.49131521 0.21859014 0.86616341 0.50868479 0.71859014 0.62515180 0.50868479 0.78140986 0.91429758 0.88275691 0.17889681 0.20294551 0.88275691 0.32110319 0.08570242 0.11724309 0.82110319 0.79705449 0.11724309 0.67889681 0.96711419 0.37653525 0.07949668 0.65635056 0.37653525 0.42050332 0.03288581 0.62346475 0.92050332 0.34364944 0.62346475 0.57949668 0.70837407 0.64685436 0.05523848 0.64477157 0.64685436 0.44476152 0.29162593 0.35314564 0.94476152 0.35522843 0.35314564 0.55523848 0.27356894 0.41975192 0.06619665 0.30667915 0.41975192 0.43380335 0.72643106 0.58024808 0.93380335 0.69332085 0.58024808 0.56619665 0.32163462 0.60574106 0.09078988 0.07262432 0.60574106 0.40921012 0.67836538 0.39425894 0.90921012 0.92737568 0.39425894 0.59078988 0.65805020 0.27397958 0.05170839 0.06797020 0.27397958 0.44829161 0.34194980 0.72602042 0.94829161 0.93202980 0.72602042 0.55170839 0.68633264 0.07317950 0.99544636 0.24048786 0.07317950 0.50455364 0.31366736 0.92682050 0.00455364 0.75951214 0.92682050 0.49544636 0.73298428 0.19638511 0.31011923 0.07063060 0.19638511 0.18988077 0.26701572 0.80361489 0.68988077 0.92936940 0.80361489 0.81011923 0.67269718 0.51557351 0.29857440 0.81172932 0.51557351 0.20142560 0.32730282 0.48442649 0.70142560 0.18827068 0.48442649 0.79857440 0.28624422 0.26927650 0.30122393 0.44447928 0.26927650 0.19877607 0.71375578 0.73072350 0.69877607 0.55552072 0.73072350 0.80122393 0.07230147 0.42726237 0.26359695 0.50043617 0.42726237 0.23640305 0.92769853 0.57273763 0.73640305 0.49956383 0.57273763 0.76359695 0.00619745 0.65620724 0.15656926 0.33759531 0.65620724 0.34343074 0.99380255 0.34379276 0.84343074 0.66240469 0.34379276 0.65656926 0.78850800 0.10266708 0.15451349 0.10882492 0.10266708 0.34548651 0.21149200 0.89733292 0.84548651 0.89117508 0.89733292 0.65451349 M6_341_800_D2_0.02_e5_accurate 1 9.923321 -0.000000 -0.048275 4.961660 3.603855 -0.024137 -3.799199 0.000000 23.986521 Mg S O H 4 4 40 48 Direct configuration= 18 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.06147842 0.87704316 0.25000000 0.93852158 0.12295684 0.75000000 0.42346565 0.89305282 0.12317031 0.68348153 0.89305282 0.37682969 0.57653435 0.10694718 0.87682969 0.31651847 0.10694718 0.62317031 0.17904137 0.18879221 0.13575530 0.63216642 0.18879221 0.36424470 0.82095863 0.81120779 0.86424470 0.36783358 0.81120779 0.63575530 0.54981599 0.88168917 0.16791621 0.56849484 0.88168917 0.33208379 0.45018401 0.11831083 0.83208379 0.43150516 0.11831083 0.66791621 0.42247618 0.98104623 0.06805523 0.59647758 0.98104623 0.43194477 0.57752382 0.01895377 0.93194477 0.40352242 0.01895377 0.56805523 0.53636787 0.52558296 0.11813843 0.93804917 0.52558296 0.38186157 0.46363213 0.47441704 0.88186157 0.06195083 0.47441704 0.61813843 0.86958552 0.44040271 0.04586249 0.69001176 0.44040271 0.45413751 0.13041448 0.55959729 0.95413751 0.30998824 0.55959729 0.54586249 0.20425288 0.65841661 0.06935060 0.13733051 0.65841661 0.43064940 0.79574712 0.34158339 0.93064940 0.86266949 0.34158339 0.56935060 0.75413090 0.11055401 0.02081008 0.13531509 0.11055401 0.47918992 0.24586910 0.88944599 0.97918992 0.86468491 0.88944599 0.52081008 0.73382312 0.29403466 0.28089758 0.97214222 0.29403466 0.21910242 0.26617688 0.70596534 0.71910242 0.02785778 0.70596534 0.78089758 0.13372354 0.49136028 0.28137366 0.37491618 0.49136028 0.21862634 0.86627646 0.50863972 0.71862634 0.62508382 0.50863972 0.78137366 0.91432110 0.88279484 0.17888300 0.20288406 0.88279484 0.32111700 0.08567890 0.11720516 0.82111700 0.79711594 0.11720516 0.67888300 0.96719379 0.37643484 0.07947929 0.65637137 0.37643484 0.42052071 0.03280621 0.62356516 0.92052071 0.34362863 0.62356516 0.57947929 0.70837741 0.64683979 0.05520753 0.64478280 0.64683979 0.44479247 0.29162259 0.35316021 0.94479247 0.35521720 0.35316021 0.55520753 0.27338424 0.41993958 0.06618460 0.30667618 0.41993958 0.43381540 0.72661576 0.58006042 0.93381540 0.69332382 0.58006042 0.56618460 0.32143508 0.60599148 0.09082271 0.07257344 0.60599148 0.40917729 0.67856492 0.39400852 0.90917729 0.92742656 0.39400852 0.59082271 0.65792582 0.27412658 0.05168007 0.06794759 0.27412658 0.44831993 0.34207418 0.72587342 0.94831993 0.93205241 0.72587342 0.55168007 0.68615743 0.07343882 0.99541793 0.24040374 0.07343882 0.50458207 0.31384257 0.92656118 0.00458207 0.75959626 0.92656118 0.49541793 0.73313675 0.19615527 0.31013955 0.07070797 0.19615527 0.18986045 0.26686325 0.80384473 0.68986045 0.92929203 0.80384473 0.81013955 0.67278642 0.51551434 0.29859939 0.81169924 0.51551434 0.20140061 0.32721358 0.48448566 0.70140061 0.18830076 0.48448566 0.79859939 0.28612717 0.26926630 0.30118703 0.44460652 0.26926630 0.19881297 0.71387283 0.73073370 0.69881297 0.55539348 0.73073370 0.80118703 0.07220760 0.42730388 0.26353715 0.50048852 0.42730388 0.23646285 0.92779240 0.57269612 0.73646285 0.49951148 0.57269612 0.76353715 0.00623070 0.65627917 0.15654872 0.33749013 0.65627917 0.34345128 0.99376930 0.34372083 0.84345128 0.66250987 0.34372083 0.65654872 0.78855212 0.10264013 0.15449493 0.10880775 0.10264013 0.34550507 0.21144788 0.89735987 0.84550507 0.89119225 0.89735987 0.65449493 M6_341_800_D2_0.02_e5_accurate 1 9.920477 -0.000000 -0.048206 4.960239 3.604698 -0.024103 -3.797903 0.000000 23.994843 Mg S O H 4 4 40 48 Direct configuration= 19 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06181408 0.87637184 0.25000000 0.93818592 0.12362816 0.75000000 0.42352393 0.89304317 0.12316089 0.68343290 0.89304317 0.37683911 0.57647607 0.10695683 0.87683911 0.31656710 0.10695683 0.62316089 0.17920940 0.18862825 0.13572681 0.63216235 0.18862825 0.36427319 0.82079060 0.81137175 0.86427319 0.36783765 0.81137175 0.63572681 0.54990207 0.88163686 0.16787279 0.56846107 0.88163686 0.33212721 0.45009793 0.11836314 0.83212721 0.43153893 0.11836314 0.66787279 0.42262908 0.98090913 0.06807237 0.59646179 0.98090913 0.43192763 0.57737092 0.01909087 0.93192763 0.40353821 0.01909087 0.56807237 0.53624766 0.52583759 0.11814418 0.93791475 0.52583759 0.38185582 0.46375234 0.47416241 0.88185582 0.06208525 0.47416241 0.61814418 0.86970221 0.44026515 0.04583271 0.69003263 0.44026515 0.45416729 0.13029779 0.55973485 0.95416729 0.30996737 0.55973485 0.54583271 0.20394933 0.65879458 0.06937975 0.13725609 0.65879458 0.43062025 0.79605067 0.34120542 0.93062025 0.86274391 0.34120542 0.56937975 0.75393151 0.11087314 0.02075062 0.13519535 0.11087314 0.47924938 0.24606849 0.88912686 0.97924938 0.86480465 0.88912686 0.52075062 0.73393999 0.29387079 0.28091815 0.97218921 0.29387079 0.21908185 0.26606001 0.70612921 0.71908185 0.02781079 0.70612921 0.78091815 0.13349011 0.49145334 0.28129893 0.37505655 0.49145334 0.21870107 0.86650989 0.50854666 0.71870107 0.62494345 0.50854666 0.78129893 0.91436970 0.88287315 0.17885447 0.20275715 0.88287315 0.32114553 0.08563030 0.11712685 0.82114553 0.79724285 0.11712685 0.67885447 0.96735815 0.37622755 0.07944339 0.65641430 0.37622755 0.42055661 0.03264185 0.62377245 0.92055661 0.34358570 0.62377245 0.57944339 0.70838432 0.64680970 0.05514365 0.64480599 0.64680970 0.44485635 0.29161568 0.35319030 0.94485635 0.35519401 0.35319030 0.55514365 0.27300289 0.42032701 0.06615973 0.30667011 0.42032701 0.43384027 0.72699711 0.57967299 0.93384027 0.69332989 0.57967299 0.56615973 0.32102308 0.60650846 0.09089049 0.07246845 0.60650846 0.40910951 0.67897692 0.39349154 0.90910951 0.92753155 0.39349154 0.59089049 0.65766902 0.27443005 0.05162162 0.06790092 0.27443005 0.44837838 0.34233098 0.72556995 0.94837838 0.93209908 0.72556995 0.55162162 0.68579572 0.07397419 0.99535922 0.24023010 0.07397419 0.50464078 0.31420428 0.92602581 0.00464078 0.75976990 0.92602581 0.49535922 0.73345152 0.19568078 0.31018151 0.07086768 0.19568078 0.18981849 0.26654848 0.80431922 0.68981849 0.92913232 0.80431922 0.81018151 0.67297070 0.51539218 0.29865096 0.81163712 0.51539218 0.20134904 0.32702930 0.48460782 0.70134904 0.18836288 0.48460782 0.79865096 0.28588548 0.26924525 0.30111087 0.44486927 0.26924525 0.19888913 0.71411452 0.73075475 0.69888913 0.55513073 0.73075475 0.80111087 0.07201377 0.42738960 0.26341370 0.50059663 0.42738960 0.23658630 0.92798623 0.57261040 0.73658630 0.49940337 0.57261040 0.76341370 0.00629940 0.65642766 0.15650631 0.33727293 0.65642766 0.34349369 0.99370060 0.34357234 0.84349369 0.66272707 0.34357234 0.65650631 0.78864321 0.10258449 0.15445660 0.10877229 0.10258449 0.34554340 0.21135679 0.89741551 0.84554340 0.89122771 0.89741551 0.65445660 M6_341_800_D2_0.02_e5_accurate 1 9.918214 -0.000000 -0.048075 4.959107 3.604909 -0.024038 -3.796711 0.000000 23.996696 Mg S O H 4 4 40 48 Direct configuration= 20 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06185508 0.87628985 0.25000000 0.93814492 0.12371015 0.75000000 0.42355738 0.89303319 0.12314274 0.68340943 0.89303319 0.37685726 0.57644262 0.10696681 0.87685726 0.31659057 0.10696681 0.62314274 0.17923195 0.18861332 0.13570613 0.63215473 0.18861332 0.36429387 0.82076805 0.81138668 0.86429387 0.36784527 0.81138668 0.63570613 0.54999469 0.88156025 0.16784573 0.56844506 0.88156025 0.33215427 0.45000531 0.11843975 0.83215427 0.43155494 0.11843975 0.66784573 0.42273498 0.98079619 0.06809628 0.59646883 0.98079619 0.43190372 0.57726502 0.01920381 0.93190372 0.40353117 0.01920381 0.56809628 0.53620062 0.52598300 0.11814902 0.93781638 0.52598300 0.38185098 0.46379938 0.47401700 0.88185098 0.06218362 0.47401700 0.61814902 0.86967904 0.44029357 0.04581942 0.69002738 0.44029357 0.45418058 0.13032096 0.55970643 0.95418058 0.30997262 0.55970643 0.54581942 0.20377207 0.65896417 0.06939158 0.13726376 0.65896417 0.43060842 0.79622793 0.34103583 0.93060842 0.86273624 0.34103583 0.56939158 0.75369402 0.11122149 0.02071684 0.13508449 0.11122149 0.47928316 0.24630598 0.88877851 0.97928316 0.86491551 0.88877851 0.52071684 0.73399020 0.29383920 0.28096279 0.97217060 0.29383920 0.21903721 0.26600980 0.70616080 0.71903721 0.02782940 0.70616080 0.78096279 0.13337768 0.49142166 0.28125608 0.37520066 0.49142166 0.21874392 0.86662232 0.50857834 0.71874392 0.62479934 0.50857834 0.78125608 0.91439899 0.88289373 0.17883222 0.20270728 0.88289373 0.32116778 0.08560101 0.11710627 0.82116778 0.79729272 0.11710627 0.67883222 0.96745292 0.37613997 0.07942549 0.65640710 0.37613997 0.42057451 0.03254708 0.62386003 0.92057451 0.34359290 0.62386003 0.57942549 0.70845856 0.64672376 0.05510940 0.64481768 0.64672376 0.44489060 0.29154144 0.35327624 0.94489060 0.35518232 0.35327624 0.55510940 0.27277751 0.42061960 0.06615444 0.30660290 0.42061960 0.43384556 0.72722249 0.57938040 0.93384556 0.69339710 0.57938040 0.56615444 0.32082181 0.60674603 0.09093026 0.07243216 0.60674603 0.40906974 0.67917819 0.39325397 0.90906974 0.92756784 0.39325397 0.59093026 0.65757325 0.27450463 0.05157490 0.06792211 0.27450463 0.44842510 0.34242675 0.72549537 0.94842510 0.93207789 0.72549537 0.55157490 0.68560213 0.07428406 0.99533299 0.24011381 0.07428406 0.50466701 0.31439787 0.92571594 0.00466701 0.75988619 0.92571594 0.49533299 0.73361581 0.19547559 0.31019038 0.07090859 0.19547559 0.18980962 0.26638419 0.80452441 0.68980962 0.92909141 0.80452441 0.81019038 0.67311386 0.51516329 0.29866494 0.81172286 0.51516329 0.20133506 0.32688614 0.48483671 0.70133506 0.18827714 0.48483671 0.79866494 0.28573200 0.26922352 0.30106663 0.44504448 0.26922352 0.19893337 0.71426800 0.73077648 0.69893337 0.55495552 0.73077648 0.80106663 0.07193571 0.42739732 0.26334617 0.50066698 0.42739732 0.23665383 0.92806429 0.57260268 0.73665383 0.49933302 0.57260268 0.76334617 0.00632622 0.65653735 0.15648331 0.33713644 0.65653735 0.34351669 0.99367378 0.34346265 0.84351669 0.66286356 0.34346265 0.65648331 0.78870106 0.10255125 0.15443326 0.10874770 0.10255125 0.34556674 0.21129894 0.89744875 0.84556674 0.89125230 0.89744875 0.65443326 M6_341_800_D2_0.02_e5_accurate 1 9.917291 -0.000000 -0.048022 4.958645 3.604995 -0.024011 -3.796224 0.000000 23.997452 Mg S O H 4 4 40 48 Direct configuration= 21 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06187179 0.87625643 0.25000000 0.93812821 0.12374357 0.75000000 0.42357102 0.89302912 0.12313534 0.68339986 0.89302912 0.37686466 0.57642898 0.10697088 0.87686466 0.31660014 0.10697088 0.62313534 0.17924114 0.18860723 0.13569770 0.63215162 0.18860723 0.36430230 0.82075886 0.81139277 0.86430230 0.36784838 0.81139277 0.63569770 0.55003246 0.88152902 0.16783469 0.56843852 0.88152902 0.33216531 0.44996754 0.11847098 0.83216531 0.43156148 0.11847098 0.66783469 0.42277815 0.98075015 0.06810603 0.59647170 0.98075015 0.43189397 0.57722185 0.01924985 0.93189397 0.40352830 0.01924985 0.56810603 0.53618144 0.52604229 0.11815099 0.93777627 0.52604229 0.38184901 0.46381856 0.47395771 0.88184901 0.06222373 0.47395771 0.61815099 0.86966959 0.44030515 0.04581400 0.69002524 0.44030515 0.45418600 0.13033041 0.55969485 0.95418600 0.30997476 0.55969485 0.54581400 0.20369979 0.65903331 0.06939641 0.13726690 0.65903331 0.43060359 0.79630021 0.34096669 0.93060359 0.86273310 0.34096669 0.56939641 0.75359719 0.11136352 0.02070307 0.13503929 0.11136352 0.47929693 0.24640281 0.88863648 0.97929693 0.86496071 0.88863648 0.52070307 0.73401067 0.29382632 0.28098099 0.97216301 0.29382632 0.21901901 0.26598933 0.70617368 0.71901901 0.02783699 0.70617368 0.78098099 0.13333182 0.49140874 0.28123861 0.37525943 0.49140874 0.21876139 0.86666818 0.50859126 0.71876139 0.62474057 0.50859126 0.78123861 0.91441094 0.88290212 0.17882314 0.20268694 0.88290212 0.32117686 0.08558906 0.11709788 0.82117686 0.79731306 0.11709788 0.67882314 0.96749157 0.37610427 0.07941820 0.65640416 0.37610427 0.42058180 0.03250843 0.62389573 0.92058180 0.34359584 0.62389573 0.57941820 0.70848883 0.64668873 0.05509544 0.64482244 0.64668873 0.44490456 0.29151117 0.35331127 0.94490456 0.35517756 0.35331127 0.55509544 0.27268562 0.42073888 0.06615228 0.30657551 0.42073888 0.43384772 0.72731438 0.57926112 0.93384772 0.69342449 0.57926112 0.56615228 0.32073974 0.60684288 0.09094647 0.07241738 0.60684288 0.40905353 0.67926026 0.39315712 0.90905353 0.92758262 0.39315712 0.59094647 0.65753420 0.27453504 0.05155585 0.06793075 0.27453504 0.44844415 0.34246580 0.72546496 0.94844415 0.93206925 0.72546496 0.55155585 0.68552320 0.07441040 0.99532230 0.24006641 0.07441040 0.50467770 0.31447680 0.92558960 0.00467770 0.75993359 0.92558960 0.49532230 0.73368280 0.19539193 0.31019400 0.07092526 0.19539193 0.18980600 0.26631720 0.80460807 0.68980600 0.92907474 0.80460807 0.81019400 0.67317223 0.51506997 0.29867064 0.81175781 0.51506997 0.20132936 0.32682777 0.48493003 0.70132936 0.18824219 0.48493003 0.79867064 0.28566940 0.26921466 0.30104859 0.44511594 0.26921466 0.19895141 0.71433060 0.73078534 0.69895141 0.55488406 0.73078534 0.80104859 0.07190387 0.42740046 0.26331864 0.50069566 0.42740046 0.23668136 0.92809613 0.57259954 0.73668136 0.49930434 0.57259954 0.76331864 0.00633716 0.65658206 0.15647393 0.33708078 0.65658206 0.34352607 0.99366284 0.34341794 0.84352607 0.66291922 0.34341794 0.65647393 0.78872464 0.10253769 0.15442374 0.10873766 0.10253769 0.34557626 0.21127536 0.89746231 0.84557626 0.89126234 0.89746231 0.65442374 M6_341_800_D2_0.02_e5_accurate 1 9.915253 -0.000000 -0.048102 4.957626 3.605376 -0.024051 -3.795629 0.000000 23.999335 Mg S O H 4 4 40 48 Direct configuration= 22 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06179487 0.87641028 0.25000000 0.93820513 0.12358972 0.75000000 0.42360477 0.89303749 0.12313753 0.68335774 0.89303749 0.37686247 0.57639523 0.10696251 0.87686247 0.31664226 0.10696251 0.62313753 0.17918640 0.18868125 0.13567531 0.63213235 0.18868125 0.36432469 0.82081360 0.81131875 0.86432469 0.36786765 0.81131875 0.63567531 0.55014152 0.88145118 0.16781172 0.56840730 0.88145118 0.33218828 0.44985848 0.11854882 0.83218828 0.43159270 0.11854882 0.66781172 0.42287556 0.98067823 0.06810851 0.59644621 0.98067823 0.43189149 0.57712444 0.01932177 0.93189149 0.40355379 0.01932177 0.56810851 0.53618124 0.52606289 0.11815320 0.93775587 0.52606289 0.38184680 0.46381876 0.47393711 0.88184680 0.06224413 0.47393711 0.61815320 0.86973552 0.44022597 0.04580342 0.69003849 0.44022597 0.45419658 0.13026448 0.55977403 0.95419658 0.30996151 0.55977403 0.54580342 0.20351655 0.65925005 0.06940900 0.13723340 0.65925005 0.43059100 0.79648345 0.34074995 0.93059100 0.86276660 0.34074995 0.56940900 0.75338526 0.11169425 0.02065503 0.13492049 0.11169425 0.47934497 0.24661474 0.88830575 0.97934497 0.86507951 0.88830575 0.52065503 0.73410865 0.29370845 0.28101179 0.97218289 0.29370845 0.21898821 0.26589135 0.70629155 0.71898821 0.02781711 0.70629155 0.78101179 0.13325709 0.49136568 0.28120383 0.37537723 0.49136568 0.21879617 0.86674291 0.50863432 0.71879617 0.62462277 0.50863432 0.78120383 0.91442763 0.88294266 0.17880470 0.20262971 0.88294266 0.32119530 0.08557237 0.11705734 0.82119530 0.79737029 0.11705734 0.67880470 0.96754433 0.37607676 0.07939536 0.65637891 0.37607676 0.42060464 0.03245567 0.62392324 0.92060464 0.34362109 0.62392324 0.57939536 0.70850832 0.64669388 0.05507427 0.64479780 0.64669388 0.44492573 0.29149168 0.35330612 0.94492573 0.35520220 0.35330612 0.55507427 0.27249908 0.42097406 0.06615357 0.30652687 0.42097406 0.43384643 0.72750092 0.57902594 0.93384643 0.69347313 0.57902594 0.56615357 0.32055972 0.60702555 0.09098080 0.07241474 0.60702555 0.40901920 0.67944028 0.39297445 0.90901920 0.92758526 0.39297445 0.59098080 0.65740470 0.27466027 0.05152603 0.06793503 0.27466027 0.44847397 0.34259530 0.72533973 0.94847397 0.93206497 0.72533973 0.55152603 0.68532518 0.07469426 0.99529475 0.23998056 0.07469426 0.50470525 0.31467482 0.92530574 0.00470525 0.76001944 0.92530574 0.49529475 0.73381719 0.19521151 0.31021097 0.07097129 0.19521151 0.18978903 0.26618281 0.80478849 0.68978903 0.92902871 0.80478849 0.81021097 0.67328854 0.51489244 0.29868775 0.81181902 0.51489244 0.20131225 0.32671146 0.48510756 0.70131225 0.18818098 0.48510756 0.79868775 0.28553442 0.26915979 0.30100977 0.44530579 0.26915979 0.19899023 0.71446558 0.73084021 0.69899023 0.55469421 0.73084021 0.80100977 0.07182233 0.42735238 0.26324891 0.50082530 0.42735238 0.23675109 0.92817767 0.57264762 0.73675109 0.49917470 0.57264762 0.76324891 0.00637798 0.65664073 0.15644849 0.33698129 0.65664073 0.34355151 0.99362202 0.34335927 0.84355151 0.66301871 0.34335927 0.65644849 0.78877107 0.10253037 0.15439994 0.10869857 0.10253037 0.34560006 0.21122893 0.89746963 0.84560006 0.89130143 0.89746963 0.65439994 M6_341_800_D2_0.02_e5_accurate 1 9.911635 -0.000000 -0.048244 4.955817 3.606052 -0.024122 -3.794573 0.000000 24.002679 Mg S O H 4 4 40 48 Direct configuration= 23 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06165833 0.87668335 0.25000000 0.93834167 0.12331665 0.75000000 0.42366468 0.89305236 0.12314140 0.68328297 0.89305236 0.37685860 0.57633532 0.10694764 0.87685860 0.31671703 0.10694764 0.62314140 0.17908924 0.18881262 0.13563556 0.63209814 0.18881262 0.36436444 0.82091076 0.81118738 0.86436444 0.36790186 0.81118738 0.63563556 0.55033514 0.88131301 0.16777094 0.56835185 0.88131301 0.33222906 0.44966486 0.11868699 0.83222906 0.43164815 0.11868699 0.66777094 0.42304848 0.98055058 0.06811292 0.59640094 0.98055058 0.43188708 0.57695152 0.01944942 0.93188708 0.40359906 0.01944942 0.56811292 0.53618089 0.52609947 0.11815712 0.93771965 0.52609947 0.38184288 0.46381911 0.47390053 0.88184288 0.06228035 0.47390053 0.61815712 0.86985257 0.44008543 0.04578466 0.69006199 0.44008543 0.45421534 0.13014743 0.55991457 0.95421534 0.30993801 0.55991457 0.54578466 0.20319127 0.65963474 0.06943136 0.13717399 0.65963474 0.43056864 0.79680873 0.34036526 0.93056864 0.86282601 0.34036526 0.56943136 0.75300907 0.11228127 0.02056977 0.13470965 0.11228127 0.47943023 0.24699093 0.88771873 0.97943023 0.86529035 0.88771873 0.52056977 0.73428259 0.29349924 0.28106647 0.97221817 0.29349924 0.21893353 0.26571741 0.70650076 0.71893353 0.02778183 0.70650076 0.78106647 0.13312439 0.49128924 0.28114209 0.37558637 0.49128924 0.21885791 0.86687561 0.50871076 0.71885791 0.62441363 0.50871076 0.78114209 0.91445727 0.88301460 0.17877197 0.20252812 0.88301460 0.32122803 0.08554273 0.11698540 0.82122803 0.79747188 0.11698540 0.67877197 0.96763798 0.37602794 0.07935483 0.65633407 0.37602794 0.42064517 0.03236202 0.62397206 0.92064517 0.34366593 0.62397206 0.57935483 0.70854293 0.64670303 0.05503669 0.64475404 0.64670303 0.44496331 0.29145707 0.35329697 0.94496331 0.35524596 0.35329697 0.55503669 0.27216794 0.42139148 0.06615585 0.30644059 0.42139148 0.43384415 0.72783206 0.57860852 0.93384415 0.69355941 0.57860852 0.56615585 0.32024014 0.60734977 0.09104173 0.07241009 0.60734977 0.40895827 0.67975986 0.39265023 0.90895827 0.92758991 0.39265023 0.59104173 0.65717480 0.27488254 0.05147309 0.06794266 0.27488254 0.44852691 0.34282520 0.72511746 0.94852691 0.93205734 0.72511746 0.55147309 0.68497369 0.07519810 0.99524585 0.23982821 0.07519810 0.50475415 0.31502631 0.92480190 0.00475415 0.76017179 0.92480190 0.49524585 0.73405573 0.19489128 0.31024108 0.07105297 0.19489128 0.18975892 0.26594427 0.80510872 0.68975892 0.92894703 0.80510872 0.81024108 0.67349500 0.51457735 0.29871812 0.81192765 0.51457735 0.20128188 0.32650500 0.48542265 0.70128188 0.18807235 0.48542265 0.79871812 0.28529475 0.26906239 0.30094087 0.44564286 0.26906239 0.19905913 0.71470525 0.73093761 0.69905913 0.55435714 0.73093761 0.80094087 0.07167754 0.42726703 0.26312512 0.50105544 0.42726703 0.23687488 0.92832246 0.57273297 0.73687488 0.49894456 0.57273297 0.76312512 0.00645046 0.65674486 0.15640333 0.33680468 0.65674486 0.34359667 0.99354954 0.34325514 0.84359667 0.66319532 0.34325514 0.65640333 0.78885349 0.10251736 0.15435770 0.10862915 0.10251736 0.34564230 0.21114651 0.89748264 0.84564230 0.89137085 0.89748264 0.65435770 M6_341_800_D2_0.02_e5_accurate 1 9.904399 -0.000000 -0.048529 4.952200 3.607405 -0.024264 -3.792459 0.000000 24.009366 Mg S O H 4 4 40 48 Direct configuration= 24 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06138531 0.87722940 0.25000000 0.93861469 0.12277060 0.75000000 0.42378455 0.89308208 0.12314915 0.68313337 0.89308208 0.37685085 0.57621545 0.10691792 0.87685085 0.31686663 0.10691792 0.62314915 0.17889492 0.18907531 0.13555607 0.63202976 0.18907531 0.36444393 0.82110508 0.81092469 0.86444393 0.36797024 0.81092469 0.63555607 0.55072244 0.88103674 0.16768939 0.56824082 0.88103674 0.33231061 0.44927756 0.11896326 0.83231061 0.43175918 0.11896326 0.66768939 0.42339439 0.98029532 0.06812175 0.59631030 0.98029532 0.43187825 0.57660561 0.01970468 0.93187825 0.40368970 0.01970468 0.56812175 0.53618020 0.52617260 0.11816497 0.93764720 0.52617260 0.38183503 0.46381980 0.47382740 0.88183503 0.06235280 0.47382740 0.61816497 0.87008666 0.43980440 0.04574714 0.69010893 0.43980440 0.45425286 0.12991334 0.56019560 0.95425286 0.30989107 0.56019560 0.54574714 0.20254068 0.66040399 0.06947607 0.13705533 0.66040399 0.43052393 0.79745932 0.33959601 0.93052393 0.86294467 0.33959601 0.56947607 0.75225678 0.11345510 0.02039925 0.13428812 0.11345510 0.47960075 0.24774322 0.88654490 0.97960075 0.86571188 0.88654490 0.52039925 0.73463045 0.29308090 0.28117580 0.97228866 0.29308090 0.21882420 0.26536955 0.70691910 0.71882420 0.02771134 0.70691910 0.78117580 0.13285887 0.49113639 0.28101864 0.37600474 0.49113639 0.21898136 0.86714113 0.50886361 0.71898136 0.62399526 0.50886361 0.78101864 0.91451664 0.88315847 0.17870650 0.20232489 0.88315847 0.32129350 0.08548336 0.11684153 0.82129350 0.79767511 0.11684153 0.67870650 0.96782535 0.37593032 0.07927377 0.65624432 0.37593032 0.42072623 0.03217465 0.62406968 0.92072623 0.34375568 0.62406968 0.57927377 0.70861219 0.64672132 0.05496155 0.64466649 0.64672132 0.44503845 0.29138781 0.35327868 0.94503845 0.35533351 0.35327868 0.55496155 0.27150564 0.42222616 0.06616041 0.30626820 0.42222616 0.43383959 0.72849436 0.57777384 0.93383959 0.69373180 0.57777384 0.56616041 0.31960090 0.60799810 0.09116357 0.07240100 0.60799810 0.40883643 0.68039910 0.39200190 0.90883643 0.92759900 0.39200190 0.59116357 0.65671497 0.27532700 0.05136722 0.06795802 0.27532700 0.44863278 0.34328503 0.72467300 0.94863278 0.93204198 0.72467300 0.55136722 0.68427075 0.07620558 0.99514806 0.23952366 0.07620558 0.50485194 0.31572925 0.92379442 0.00485194 0.76047634 0.92379442 0.49514806 0.73453281 0.19425095 0.31030131 0.07121623 0.19425095 0.18969869 0.26546719 0.80574905 0.68969869 0.92878377 0.80574905 0.81030131 0.67390790 0.51394728 0.29877885 0.81214482 0.51394728 0.20122115 0.32609210 0.48605272 0.70122115 0.18785518 0.48605272 0.79877885 0.28481520 0.26886764 0.30080308 0.44631716 0.26886764 0.19919692 0.71518480 0.73113236 0.69919692 0.55368284 0.73113236 0.80080308 0.07138784 0.42709636 0.26287758 0.50151580 0.42709636 0.23712242 0.92861216 0.57290364 0.73712242 0.49848420 0.57290364 0.76287758 0.00659557 0.65695308 0.15631303 0.33645136 0.65695308 0.34368697 0.99340443 0.34304692 0.84368697 0.66354864 0.34304692 0.65631303 0.78901841 0.10249135 0.15427321 0.10849024 0.10249135 0.34572679 0.21098159 0.89750865 0.84572679 0.89150976 0.89750865 0.65427321 M6_341_800_D2_0.02_e5_accurate 1 9.909038 -0.000000 -0.048346 4.954519 3.606538 -0.024173 -3.793814 0.000000 24.005079 Mg S O H 4 4 40 48 Direct configuration= 25 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06156029 0.87687944 0.25000000 0.93843971 0.12312056 0.75000000 0.42370763 0.89306303 0.12314418 0.68322934 0.89306303 0.37685582 0.57629237 0.10693697 0.87685582 0.31677066 0.10693697 0.62314418 0.17901949 0.18890695 0.13560702 0.63207356 0.18890695 0.36439298 0.82098051 0.81109305 0.86439298 0.36792644 0.81109305 0.63560702 0.55047402 0.88121380 0.16774166 0.56831217 0.88121380 0.33225834 0.44952598 0.11878620 0.83225834 0.43168783 0.11878620 0.66774166 0.42317254 0.98045891 0.06811609 0.59636854 0.98045891 0.43188391 0.57682746 0.01954109 0.93188391 0.40363146 0.01954109 0.56811609 0.53618062 0.52612573 0.11815994 0.93769365 0.52612573 0.38184006 0.46381938 0.47387427 0.88184006 0.06230635 0.47387427 0.61815994 0.86993656 0.43998451 0.04577119 0.69007892 0.43998451 0.45422881 0.13006344 0.56001549 0.95422881 0.30992108 0.56001549 0.54577119 0.20295784 0.65991098 0.06944742 0.13713118 0.65991098 0.43055258 0.79704216 0.34008902 0.93055258 0.86286882 0.34008902 0.56944742 0.75273901 0.11270280 0.02050855 0.13455820 0.11270280 0.47949145 0.24726099 0.88729720 0.97949145 0.86544180 0.88729720 0.52050855 0.73440743 0.29334901 0.28110572 0.97224356 0.29334901 0.21889428 0.26559257 0.70665099 0.71889428 0.02775644 0.70665099 0.78110572 0.13302926 0.49123435 0.28109777 0.37573639 0.49123435 0.21890223 0.86697074 0.50876565 0.71890223 0.62426361 0.50876565 0.78109777 0.91447848 0.88306627 0.17874846 0.20245525 0.88306627 0.32125154 0.08552152 0.11693373 0.82125154 0.79754475 0.11693373 0.67874846 0.96770515 0.37599289 0.07932573 0.65630196 0.37599289 0.42067427 0.03229485 0.62400711 0.92067427 0.34369804 0.62400711 0.57932573 0.70856773 0.64670960 0.05500971 0.64472267 0.64670960 0.44499029 0.29143227 0.35329040 0.94499029 0.35527733 0.35329040 0.55500971 0.27193028 0.42169122 0.06615749 0.30637851 0.42169122 0.43384251 0.72806972 0.57830878 0.93384251 0.69362149 0.57830878 0.56615749 0.32001083 0.60758259 0.09108548 0.07240658 0.60758259 0.40891452 0.67998917 0.39241741 0.90891452 0.92759342 0.39241741 0.59108548 0.65700982 0.27504215 0.05143508 0.06794803 0.27504215 0.44856492 0.34299018 0.72495785 0.94856492 0.93205197 0.72495785 0.55143508 0.68472139 0.07555989 0.99521074 0.23971872 0.07555989 0.50478926 0.31527861 0.92444011 0.00478926 0.76028128 0.92444011 0.49521074 0.73422695 0.19466134 0.31026271 0.07111170 0.19466134 0.18973729 0.26577305 0.80533866 0.68973729 0.92888830 0.80533866 0.81026271 0.67364322 0.51435109 0.29873992 0.81200569 0.51435109 0.20126008 0.32635678 0.48564891 0.70126008 0.18799431 0.48564891 0.79873992 0.28512293 0.26899246 0.30089140 0.44588462 0.26899246 0.19910860 0.71487707 0.73100754 0.69910860 0.55411538 0.73100754 0.80089140 0.07157372 0.42720574 0.26303625 0.50122054 0.42720574 0.23696375 0.92842628 0.57279426 0.73696375 0.49877946 0.57279426 0.76303625 0.00650237 0.65681963 0.15637091 0.33667800 0.65681963 0.34362909 0.99349763 0.34318037 0.84362909 0.66332200 0.34318037 0.65637091 0.78891259 0.10250802 0.15432736 0.10857939 0.10250802 0.34567264 0.21108741 0.89749198 0.84567264 0.89142061 0.89749198 0.65432736 M6_341_800_D2_0.02_e5_accurate 1 9.907689 -0.000000 -0.048335 4.953845 3.606800 -0.024167 -3.793262 0.000000 24.006744 Mg S O H 4 4 40 48 Direct configuration= 26 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06149880 0.87700241 0.25000000 0.93850120 0.12299759 0.75000000 0.42371212 0.89306390 0.12313962 0.68322398 0.89306390 0.37686038 0.57628788 0.10693610 0.87686038 0.31677602 0.10693610 0.62313962 0.17900775 0.18893193 0.13559315 0.63206033 0.18893193 0.36440685 0.82099225 0.81106807 0.86440685 0.36793967 0.81106807 0.63559315 0.55055193 0.88117915 0.16773458 0.56826892 0.88117915 0.33226542 0.44944807 0.11882085 0.83226542 0.43173108 0.11882085 0.66773458 0.42323083 0.98043001 0.06811336 0.59633916 0.98043001 0.43188664 0.57676917 0.01956999 0.93188664 0.40366084 0.01956999 0.56811336 0.53617830 0.52613701 0.11816179 0.93768469 0.52613701 0.38183821 0.46382170 0.47386299 0.88183821 0.06231531 0.47386299 0.61816179 0.86996931 0.43993830 0.04575857 0.69009238 0.43993830 0.45424143 0.13003069 0.56006170 0.95424143 0.30990762 0.56006170 0.54575857 0.20282884 0.66007153 0.06945813 0.13709962 0.66007153 0.43054187 0.79717116 0.33992847 0.93054187 0.86290038 0.33992847 0.56945813 0.75260687 0.11294380 0.02047951 0.13444933 0.11294380 0.47952049 0.24739313 0.88705620 0.97952049 0.86555067 0.88705620 0.52047951 0.73450001 0.29321425 0.28111278 0.97228575 0.29321425 0.21888722 0.26549999 0.70678575 0.71888722 0.02771425 0.70678575 0.78111278 0.13296537 0.49121635 0.28107065 0.37581827 0.49121635 0.21892935 0.86703463 0.50878365 0.71892935 0.62418173 0.50878365 0.78107065 0.91449202 0.88308649 0.17873468 0.20242150 0.88308649 0.32126532 0.08550798 0.11691351 0.82126532 0.79757850 0.11691351 0.67873468 0.96774449 0.37598138 0.07931391 0.65627413 0.37598138 0.42068609 0.03225551 0.62401862 0.92068609 0.34372587 0.62401862 0.57931391 0.70858664 0.64671222 0.05499822 0.64470115 0.64671222 0.44500178 0.29141336 0.35328778 0.94500178 0.35529885 0.35328778 0.55499822 0.27181308 0.42182990 0.06615956 0.30635703 0.42182990 0.43384044 0.72818692 0.57817010 0.93384044 0.69364297 0.57817010 0.56615956 0.31989065 0.60770071 0.09110741 0.07240864 0.60770071 0.40889259 0.68010935 0.39229929 0.90889259 0.92759136 0.39229929 0.59110741 0.65691468 0.27513895 0.05141759 0.06794636 0.27513895 0.44858241 0.34308532 0.72486105 0.94858241 0.93205364 0.72486105 0.55141759 0.68456938 0.07574102 0.99518511 0.23968960 0.07574102 0.50481489 0.31543062 0.92425898 0.00481489 0.76031040 0.92425898 0.49518511 0.73431012 0.19453054 0.31028347 0.07115933 0.19453054 0.18971653 0.26568988 0.80546946 0.68971653 0.92884067 0.80546946 0.81028347 0.67370289 0.51428735 0.29875742 0.81200976 0.51428735 0.20124258 0.32629711 0.48571265 0.70124258 0.18799024 0.48571265 0.79875742 0.28504776 0.26893110 0.30086813 0.44602114 0.26893110 0.19913187 0.71495224 0.73106890 0.69913187 0.55397886 0.73106890 0.80086813 0.07152041 0.42717158 0.26298944 0.50130801 0.42717158 0.23701056 0.92847959 0.57282842 0.73701056 0.49869199 0.57282842 0.76298944 0.00653003 0.65685816 0.15635471 0.33661180 0.65685816 0.34364529 0.99346997 0.34314184 0.84364529 0.66338820 0.34314184 0.65635471 0.78894070 0.10251322 0.15431128 0.10854608 0.10251322 0.34568872 0.21105930 0.89748678 0.84568872 0.89145392 0.89748678 0.65431128 M6_341_800_D2_0.02_e5_accurate 1 9.904272 -0.000000 -0.048306 4.952136 3.607463 -0.024153 -3.791863 0.000000 24.010964 Mg S O H 4 4 40 48 Direct configuration= 27 -0.00000000 0.00000000 -0.00000000 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0.86298028 0.33952181 0.56948528 0.75227218 0.11355423 0.02040596 0.13417359 0.11355423 0.47959404 0.24772782 0.88644577 0.97959404 0.86582641 0.88644577 0.52040596 0.73473451 0.29287291 0.28113065 0.97239258 0.29287291 0.21886935 0.26526549 0.70712709 0.71886935 0.02760742 0.70712709 0.78113065 0.13280353 0.49117076 0.28100194 0.37602571 0.49117076 0.21899806 0.86719647 0.50882924 0.71899806 0.62397429 0.50882924 0.78100194 0.91452630 0.88313770 0.17869978 0.20233600 0.88313770 0.32130022 0.08547370 0.11686230 0.82130022 0.79766400 0.11686230 0.67869978 0.96784416 0.37595223 0.07928398 0.65620362 0.37595223 0.42071602 0.03215584 0.62404777 0.92071602 0.34379638 0.62404777 0.57928398 0.70863454 0.64671885 0.05496912 0.64464661 0.64671885 0.44503088 0.29136546 0.35328115 0.94503088 0.35535339 0.35328115 0.55496912 0.27151619 0.42218117 0.06616482 0.30630265 0.42218117 0.43383518 0.72848381 0.57781883 0.93383518 0.69369735 0.57781883 0.56616482 0.31958620 0.60799990 0.09116298 0.07241390 0.60799990 0.40883702 0.68041380 0.39200010 0.90883702 0.92758610 0.39200010 0.59116298 0.65667369 0.27538413 0.05137329 0.06794217 0.27538413 0.44862671 0.34332631 0.72461587 0.94862671 0.93205783 0.72461587 0.55137329 0.68418435 0.07619980 0.99512017 0.23961584 0.07619980 0.50487983 0.31581565 0.92380020 0.00487983 0.76038416 0.92380020 0.49512017 0.73452076 0.19419926 0.31033605 0.07127997 0.19419926 0.18966395 0.26547924 0.80580074 0.68966395 0.92872003 0.80580074 0.81033605 0.67385405 0.51412591 0.29880175 0.81202004 0.51412591 0.20119825 0.32614595 0.48587409 0.70119825 0.18797996 0.48587409 0.79880175 0.28485732 0.26877568 0.30080920 0.44636701 0.26877568 0.19919080 0.71514268 0.73122432 0.69919080 0.55363299 0.73122432 0.80080920 0.07138535 0.42708505 0.26287088 0.50152959 0.42708505 0.23712912 0.92861465 0.57291495 0.73712912 0.49847041 0.57291495 0.76287088 0.00660012 0.65695576 0.15631367 0.33644411 0.65695576 0.34368633 0.99339988 0.34304424 0.84368633 0.66355589 0.34304424 0.65631367 0.78901192 0.10252638 0.15427056 0.10846171 0.10252638 0.34572944 0.21098808 0.89747362 0.84572944 0.89153829 0.89747362 0.65427056 M6_341_800_D2_0.02_e5_accurate 1 9.897438 -0.000000 -0.048248 4.948719 3.608790 -0.024124 -3.789066 0.000000 24.019403 Mg S O H 4 4 40 48 Direct configuration= 28 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06103163 0.87793676 0.25000000 0.93896837 0.12206324 0.75000000 0.42374624 0.89307054 0.12310498 0.68318322 0.89307054 0.37689502 0.57625376 0.10692946 0.87689502 0.31681678 0.10692946 0.62310498 0.17891856 0.18912166 0.13548779 0.63195978 0.18912166 0.36451221 0.82108144 0.81087834 0.86451221 0.36804022 0.81087834 0.63548779 0.55114413 0.88091584 0.16768082 0.56794003 0.88091584 0.33231918 0.44885587 0.11908416 0.83231918 0.43205997 0.11908416 0.66768082 0.42367389 0.98021042 0.06809266 0.59611568 0.98021042 0.43190734 0.57632611 0.01978958 0.93190734 0.40388432 0.01978958 0.56809266 0.53616066 0.52622274 0.11817591 0.93761660 0.52622274 0.38182409 0.46383934 0.47377726 0.88182409 0.06238340 0.47377726 0.61817591 0.87021819 0.43958723 0.04566266 0.69019457 0.43958723 0.45433734 0.12978181 0.56041277 0.95433734 0.30980543 0.56041277 0.54566266 0.20184856 0.66129134 0.06953956 0.13686010 0.66129134 0.43046044 0.79815144 0.33870866 0.93046044 0.86313990 0.33870866 0.56953956 0.75160292 0.11477486 0.02025888 0.13362222 0.11477486 0.47974112 0.24839708 0.88522514 0.97974112 0.86637778 0.88522514 0.52025888 0.73520348 0.29219036 0.28116639 0.97260616 0.29219036 0.21883361 0.26479652 0.70780964 0.71883361 0.02739384 0.70780964 0.78116639 0.13247973 0.49107960 0.28086454 0.37644067 0.49107960 0.21913546 0.86752027 0.50892040 0.71913546 0.62355933 0.50892040 0.78086454 0.91459494 0.88324010 0.17862999 0.20216496 0.88324010 0.32137001 0.08540506 0.11675990 0.82137001 0.79783504 0.11675990 0.67862999 0.96804355 0.37589393 0.07922412 0.65606251 0.37589393 0.42077588 0.03195645 0.62410607 0.92077588 0.34393749 0.62410607 0.57922412 0.70873039 0.64673211 0.05491093 0.64453750 0.64673211 0.44508907 0.29126961 0.35326789 0.94508907 0.35546250 0.35326789 0.55491093 0.27092239 0.42288358 0.06617534 0.30619404 0.42288358 0.43382466 0.72907761 0.57711642 0.93382466 0.69380596 0.57711642 0.56617534 0.31897723 0.60859818 0.09127410 0.07242459 0.60859818 0.40872590 0.68102277 0.39140182 0.90872590 0.92757541 0.39140182 0.59127410 0.65619170 0.27587439 0.05128471 0.06793390 0.27587439 0.44871529 0.34380830 0.72412561 0.94871529 0.93206610 0.72412561 0.55128471 0.68341429 0.07711720 0.99499033 0.23946850 0.07711720 0.50500967 0.31658571 0.92288280 0.00500967 0.76053150 0.92288280 0.49499033 0.73494201 0.19353681 0.31044121 0.07152118 0.19353681 0.18955879 0.26505799 0.80646319 0.68955879 0.92847882 0.80646319 0.81044121 0.67415637 0.51380310 0.29889038 0.81204053 0.51380310 0.20110962 0.32584363 0.48619690 0.70110962 0.18795947 0.48619690 0.79889038 0.28447625 0.26846489 0.30069135 0.44705886 0.26846489 0.19930865 0.71552375 0.73153511 0.69930865 0.55294114 0.73153511 0.80069135 0.07111515 0.42691203 0.26263381 0.50197282 0.42691203 0.23736619 0.92888485 0.57308797 0.73736619 0.49802718 0.57308797 0.76263381 0.00674041 0.65715093 0.15623161 0.33610866 0.65715093 0.34376839 0.99325959 0.34284907 0.84376839 0.66389134 0.34284907 0.65623161 0.78915443 0.10255269 0.15418914 0.10829288 0.10255269 0.34581086 0.21084557 0.89744731 0.84581086 0.89170712 0.89744731 0.65418914 M6_341_800_D2_0.02_e5_accurate 1 9.902444 -0.000000 -0.048291 4.951222 3.607818 -0.024145 -3.791115 0.000000 24.013222 Mg S O H 4 4 40 48 Direct configuration= 29 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06125965 0.87748071 0.25000000 0.93874035 0.12251929 0.75000000 0.42372955 0.89306730 0.12312189 0.68320314 0.89306730 0.37687811 0.57627045 0.10693270 0.87687811 0.31679686 0.10693270 0.62312189 0.17896206 0.18902905 0.13553922 0.63200889 0.18902905 0.36446078 0.82103794 0.81097095 0.86446078 0.36799111 0.81097095 0.63553922 0.55085479 0.88104436 0.16770706 0.56810085 0.88104436 0.33229294 0.44914521 0.11895564 0.83229294 0.43189915 0.11895564 0.66770706 0.42345743 0.98031760 0.06810276 0.59622497 0.98031760 0.43189724 0.57654257 0.01968240 0.93189724 0.40377503 0.01968240 0.56810276 0.53616926 0.52618090 0.11816902 0.93764985 0.52618090 0.38183098 0.46383074 0.47381910 0.88183098 0.06235015 0.47381910 0.61816902 0.87009664 0.43975859 0.04570947 0.69014476 0.43975859 0.45429053 0.12990336 0.56024141 0.95429053 0.30985524 0.56024141 0.54570947 0.20232727 0.66069596 0.06949982 0.13697677 0.66069596 0.43050018 0.79767273 0.33930404 0.93050018 0.86302323 0.33930404 0.56949982 0.75209295 0.11388113 0.02036657 0.13402593 0.11388113 0.47963343 0.24790705 0.88611887 0.97963343 0.86597407 0.88611887 0.52036657 0.73486002 0.29269012 0.28114022 0.97244987 0.29269012 0.21885978 0.26513998 0.70730988 0.71885978 0.02755013 0.70730988 0.78114022 0.13271706 0.49114635 0.28096514 0.37613659 0.49114635 0.21903486 0.86728294 0.50885365 0.71903486 0.62386341 0.50885365 0.78096514 0.91454457 0.88316512 0.17868109 0.20229031 0.88316512 0.32131891 0.08545543 0.11683488 0.82131891 0.79770969 0.11683488 0.67868109 0.96789741 0.37593662 0.07926795 0.65616598 0.37593662 0.42073205 0.03210259 0.62406338 0.92073205 0.34383402 0.62406338 0.57926795 0.70866011 0.64672240 0.05495354 0.64461749 0.64672240 0.44504646 0.29133989 0.35327760 0.94504646 0.35538251 0.35327760 0.55495354 0.27135735 0.42236928 0.06616764 0.30627337 0.42236928 0.43383236 0.72864265 0.57763072 0.93383236 0.69372663 0.57763072 0.56616764 0.31942339 0.60816013 0.09119274 0.07241649 0.60816013 0.40880726 0.68057661 0.39183987 0.90880726 0.92758351 0.39183987 0.59119274 0.65654477 0.27551542 0.05134957 0.06793980 0.27551542 0.44865043 0.34345523 0.72448458 0.94865043 0.93206020 0.72448458 0.55134957 0.68397832 0.07644549 0.99508540 0.23957618 0.07644549 0.50491460 0.31602168 0.92355451 0.00491460 0.76042382 0.92355451 0.49508540 0.73463354 0.19402185 0.31036422 0.07134460 0.19402185 0.18963578 0.26536646 0.80597815 0.68963578 0.92865540 0.80597815 0.81036422 0.67393493 0.51403946 0.29882548 0.81202561 0.51403946 0.20117452 0.32606507 0.48596054 0.70117452 0.18797439 0.48596054 0.79882548 0.28475564 0.26869244 0.30077764 0.44655191 0.26869244 0.19922236 0.71524436 0.73130756 0.69922236 0.55344809 0.73130756 0.80077764 0.07131319 0.42703871 0.26280739 0.50164809 0.42703871 0.23719261 0.92868681 0.57296129 0.73719261 0.49835191 0.57296129 0.76280739 0.00663748 0.65700803 0.15629169 0.33635448 0.65700803 0.34370831 0.99336252 0.34299197 0.84370831 0.66364552 0.34299197 0.65629169 0.78904994 0.10253342 0.15424876 0.10841664 0.10253342 0.34575124 0.21095006 0.89746658 0.84575124 0.89158336 0.89746658 0.65424876 M6_341_800_D2_0.02_e5_accurate 1 9.901181 -0.000000 -0.048355 4.950591 3.607830 -0.024177 -3.790784 0.000000 24.013613 Mg S O H 4 4 40 48 Direct configuration= 30 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06124473 0.87751054 0.25000000 0.93875527 0.12248946 0.75000000 0.42378029 0.89301876 0.12311516 0.68320095 0.89301876 0.37688484 0.57621971 0.10698124 0.87688484 0.31679905 0.10698124 0.62311516 0.17901049 0.18898604 0.13553504 0.63200347 0.18898604 0.36446496 0.82098951 0.81101396 0.86446496 0.36799653 0.81101396 0.63553504 0.55085669 0.88107138 0.16770534 0.56807193 0.88107138 0.33229466 0.44914331 0.11892862 0.83229466 0.43192807 0.11892862 0.66770534 0.42346777 0.98033432 0.06809893 0.59619791 0.98033432 0.43190107 0.57653223 0.01966568 0.93190107 0.40380209 0.01966568 0.56809893 0.53614469 0.52621875 0.11816986 0.93763656 0.52621875 0.38183014 0.46385531 0.47378125 0.88183014 0.06236344 0.47378125 0.61816986 0.87009788 0.43976245 0.04570070 0.69013966 0.43976245 0.45429930 0.12990212 0.56023755 0.95429930 0.30986034 0.56023755 0.54570070 0.20224997 0.66076787 0.06951097 0.13698216 0.66076787 0.43048903 0.79775003 0.33923213 0.93048903 0.86301784 0.33923213 0.56951097 0.75197364 0.11406052 0.02034675 0.13396584 0.11406052 0.47965325 0.24802636 0.88593948 0.97965325 0.86603416 0.88593948 0.52034675 0.73491653 0.29259124 0.28114656 0.97249222 0.29259124 0.21885344 0.26508347 0.70740876 0.71885344 0.02750778 0.70740876 0.78114656 0.13268563 0.49110889 0.28094530 0.37620548 0.49110889 0.21905470 0.86731437 0.50889111 0.71905470 0.62379452 0.50889111 0.78094530 0.91455053 0.88317241 0.17866650 0.20227706 0.88317241 0.32133350 0.08544947 0.11682759 0.82133350 0.79772294 0.11682759 0.67866650 0.96790709 0.37595331 0.07925923 0.65613960 0.37595331 0.42074077 0.03209291 0.62404669 0.92074077 0.34386040 0.62404669 0.57925923 0.70869781 0.64669954 0.05495047 0.64460265 0.64669954 0.44504953 0.29130219 0.35330046 0.94504953 0.35539735 0.35330046 0.55495047 0.27129088 0.42245246 0.06617092 0.30625667 0.42245246 0.43382908 0.72870912 0.57754754 0.93382908 0.69374333 0.57754754 0.56617092 0.31935575 0.60822801 0.09120407 0.07241624 0.60822801 0.40879593 0.68064425 0.39177199 0.90879593 0.92758376 0.39177199 0.59120407 0.65648850 0.27557727 0.05133983 0.06793422 0.27557727 0.44866017 0.34351150 0.72442273 0.94866017 0.93206578 0.72442273 0.55133983 0.68389436 0.07655273 0.99506966 0.23955291 0.07655273 0.50493034 0.31610564 0.92344727 0.00493034 0.76044709 0.92344727 0.49506966 0.73467351 0.19396507 0.31037851 0.07136141 0.19396507 0.18962149 0.26532649 0.80603493 0.68962149 0.92863859 0.80603493 0.81037851 0.67396467 0.51400750 0.29883792 0.81202784 0.51400750 0.20116208 0.32603533 0.48599250 0.70116208 0.18797216 0.48599250 0.79883792 0.28470865 0.26866536 0.30076498 0.44662600 0.26866536 0.19923502 0.71529135 0.73133464 0.69923502 0.55337400 0.73133464 0.80076498 0.07128191 0.42702435 0.26278018 0.50169374 0.42702435 0.23721982 0.92871809 0.57297565 0.73721982 0.49830626 0.57297565 0.76278018 0.00664870 0.65704404 0.15628559 0.33630726 0.65704404 0.34371441 0.99335130 0.34295596 0.84371441 0.66369274 0.34295596 0.65628559 0.78907308 0.10253414 0.15424192 0.10839278 0.10253414 0.34575808 0.21092692 0.89746586 0.84575808 0.89160722 0.89746586 0.65424192 M6_341_800_D2_0.02_e5_accurate 1 9.897761 -0.000000 -0.048528 4.948880 3.607863 -0.024264 -3.789889 0.000000 24.014674 Mg S O H 4 4 40 48 Direct configuration= 31 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06120431 0.87759138 0.25000000 0.93879569 0.12240862 0.75000000 0.42391779 0.89288722 0.12309692 0.68319499 0.89288722 0.37690308 0.57608221 0.10711278 0.87690308 0.31680501 0.10711278 0.62309692 0.17914173 0.18886950 0.13552373 0.63198877 0.18886950 0.36447627 0.82085827 0.81113050 0.86447627 0.36801123 0.81113050 0.63552373 0.55086185 0.88114461 0.16770069 0.56799354 0.88114461 0.33229931 0.44913815 0.11885539 0.83229931 0.43200646 0.11885539 0.66770069 0.42349577 0.98037963 0.06808853 0.59612459 0.98037963 0.43191147 0.57650423 0.01962037 0.93191147 0.40387541 0.01962037 0.56808853 0.53607813 0.52632131 0.11817214 0.93760056 0.52632131 0.38182786 0.46392187 0.47367869 0.88182786 0.06239944 0.47367869 0.61817214 0.87010123 0.43977290 0.04567694 0.69012586 0.43977290 0.45432306 0.12989877 0.56022710 0.95432306 0.30987414 0.56022710 0.54567694 0.20204047 0.66096273 0.06954120 0.13699680 0.66096273 0.43045880 0.79795953 0.33903727 0.93045880 0.86300320 0.33903727 0.56954120 0.75165035 0.11454661 0.02029306 0.13380304 0.11454661 0.47970694 0.24834965 0.88545339 0.97970694 0.86619696 0.88545339 0.52029306 0.73506968 0.29232334 0.28116375 0.97260698 0.29232334 0.21883625 0.26493032 0.70767666 0.71883625 0.02739302 0.70767666 0.78116375 0.13260046 0.49100740 0.28089153 0.37639215 0.49100740 0.21910847 0.86739954 0.50899260 0.71910847 0.62360785 0.50899260 0.78089153 0.91456667 0.88319216 0.17862698 0.20224117 0.88319216 0.32137302 0.08543333 0.11680784 0.82137302 0.79775883 0.11680784 0.67862698 0.96793332 0.37599854 0.07923560 0.65606813 0.37599854 0.42076440 0.03206668 0.62400146 0.92076440 0.34393187 0.62400146 0.57923560 0.70879996 0.64663759 0.05494218 0.64456244 0.64663759 0.44505782 0.29120004 0.35336241 0.94505782 0.35543756 0.35336241 0.55494218 0.27111074 0.42267786 0.06617982 0.30621141 0.42267786 0.43382018 0.72888926 0.57732214 0.93382018 0.69378859 0.57732214 0.56617982 0.31917248 0.60841196 0.09123478 0.07241557 0.60841196 0.40876522 0.68082752 0.39158804 0.90876522 0.92758443 0.39158804 0.59123478 0.65633604 0.27574483 0.05131343 0.06791912 0.27574483 0.44868657 0.34366396 0.72425517 0.94868657 0.93208088 0.72425517 0.55131343 0.68366683 0.07684330 0.99502699 0.23948987 0.07684330 0.50497301 0.31633317 0.92315670 0.00497301 0.76051013 0.92315670 0.49502699 0.73478181 0.19381122 0.31041724 0.07140696 0.19381122 0.18958276 0.26521819 0.80618878 0.68958276 0.92859304 0.80618878 0.81041724 0.67404525 0.51392089 0.29887163 0.81203387 0.51392089 0.20112837 0.32595475 0.48607911 0.70112837 0.18796613 0.48607911 0.79887163 0.28458128 0.26859196 0.30073069 0.44682677 0.26859196 0.19926931 0.71541872 0.73140804 0.69926931 0.55317323 0.73140804 0.80073069 0.07119713 0.42698542 0.26270642 0.50181746 0.42698542 0.23729358 0.92880287 0.57301458 0.73729358 0.49818254 0.57301458 0.76270642 0.00667911 0.65714160 0.15626905 0.33617929 0.65714160 0.34373095 0.99332089 0.34285840 0.84373095 0.66382071 0.34285840 0.65626905 0.78913579 0.10253608 0.15422340 0.10832814 0.10253608 0.34577660 0.21086421 0.89746392 0.84577660 0.89167186 0.89746392 0.65422340 M6_341_800_D2_0.02_e5_accurate 1 9.896229 -0.000000 -0.048604 4.948115 3.607865 -0.024302 -3.789488 0.000000 24.014615 Mg S O H 4 4 40 48 Direct configuration= 32 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06124143 0.87751715 0.25000000 0.93875857 0.12248285 0.75000000 0.42396271 0.89288116 0.12308779 0.68315613 0.89288116 0.37691221 0.57603729 0.10711884 0.87691221 0.31684387 0.10711884 0.62308779 0.17923798 0.18878004 0.13552482 0.63198198 0.18878004 0.36447518 0.82076202 0.81121996 0.86447518 0.36801802 0.81121996 0.63552482 0.55084919 0.88119681 0.16770643 0.56795400 0.88119681 0.33229357 0.44915081 0.11880319 0.83229357 0.43204600 0.11880319 0.66770643 0.42349440 0.98041707 0.06807918 0.59608853 0.98041707 0.43192082 0.57650560 0.01958293 0.93192082 0.40391147 0.01958293 0.56807918 0.53606055 0.52632219 0.11816904 0.93761726 0.52632219 0.38183096 0.46393945 0.47367781 0.88183096 0.06238274 0.47367781 0.61816904 0.87014908 0.43974225 0.04566717 0.69010866 0.43974225 0.45433283 0.12985092 0.56025775 0.95433283 0.30989134 0.56025775 0.54566717 0.20193178 0.66107506 0.06956059 0.13699316 0.66107506 0.43043941 0.79806822 0.33892494 0.93043941 0.86300684 0.33892494 0.56956059 0.75149934 0.11476734 0.02027013 0.13373332 0.11476734 0.47972987 0.24850066 0.88523266 0.97972987 0.86626668 0.88523266 0.52027013 0.73509228 0.29230644 0.28118694 0.97260128 0.29230644 0.21881306 0.26490772 0.70769356 0.71881306 0.02739872 0.70769356 0.78118694 0.13260802 0.49094725 0.28087261 0.37644473 0.49094725 0.21912739 0.86739198 0.50905275 0.71912739 0.62355527 0.50905275 0.78087261 0.91456528 0.88323363 0.17862056 0.20220109 0.88323363 0.32137944 0.08543472 0.11676637 0.82137944 0.79779891 0.11676637 0.67862056 0.96792800 0.37604256 0.07922169 0.65602945 0.37604256 0.42077831 0.03207200 0.62395744 0.92077831 0.34397055 0.62395744 0.57922169 0.70881034 0.64666396 0.05494575 0.64452570 0.64666396 0.44505425 0.29118966 0.35333604 0.94505425 0.35547430 0.35333604 0.55494575 0.27106213 0.42270329 0.06618517 0.30623459 0.42270329 0.43381483 0.72893787 0.57729671 0.93381483 0.69376541 0.57729671 0.56618517 0.31910812 0.60848470 0.09124507 0.07240718 0.60848470 0.40875493 0.68089188 0.39151530 0.90875493 0.92759282 0.39151530 0.59124507 0.65626239 0.27583331 0.05130603 0.06790428 0.27583331 0.44869397 0.34373761 0.72416669 0.94869397 0.93209572 0.72416669 0.55130603 0.68356892 0.07695866 0.99500618 0.23947242 0.07695866 0.50499382 0.31643108 0.92304134 0.00499382 0.76052758 0.92304134 0.49500618 0.73481342 0.19377164 0.31043337 0.07141493 0.19377164 0.18956663 0.26518658 0.80622836 0.68956663 0.92858507 0.80622836 0.81043337 0.67409146 0.51381291 0.29887934 0.81209562 0.51381291 0.20112066 0.32590854 0.48618709 0.70112066 0.18790438 0.48618709 0.79887934 0.28452024 0.26858984 0.30071782 0.44688992 0.26858984 0.19928218 0.71547976 0.73141016 0.69928218 0.55311008 0.73141016 0.80071782 0.07114354 0.42695373 0.26267209 0.50190273 0.42695373 0.23732791 0.92885646 0.57304627 0.73732791 0.49809727 0.57304627 0.76267209 0.00671915 0.65710876 0.15625723 0.33617209 0.65710876 0.34374277 0.99328085 0.34289124 0.84374277 0.66382791 0.34289124 0.65625723 0.78914369 0.10257521 0.15421328 0.10828110 0.10257521 0.34578672 0.21085631 0.89742479 0.84578672 0.89171890 0.89742479 0.65421328 M6_341_800_D2_0.02_e5_accurate 1 9.894058 -0.000000 -0.048712 4.947029 3.607869 -0.024356 -3.788919 0.000000 24.014531 Mg S O H 4 4 40 48 Direct configuration= 33 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06129405 0.87741192 0.25000000 0.93870595 0.12258808 0.75000000 0.42402639 0.89287257 0.12307486 0.68310104 0.89287257 0.37692514 0.57597361 0.10712743 0.87692514 0.31689896 0.10712743 0.62307486 0.17937444 0.18865323 0.13552636 0.63197233 0.18865323 0.36447364 0.82062556 0.81134677 0.86447364 0.36802767 0.81134677 0.63552636 0.55083125 0.88127080 0.16771456 0.56789795 0.88127080 0.33228544 0.44916875 0.11872920 0.83228544 0.43210205 0.11872920 0.66771456 0.42349246 0.98047014 0.06806592 0.59603740 0.98047014 0.43193408 0.57650754 0.01952986 0.93193408 0.40396260 0.01952986 0.56806592 0.53603562 0.52632343 0.11816465 0.93764094 0.52632343 0.38183535 0.46396438 0.47367657 0.88183535 0.06235906 0.47367657 0.61816465 0.87021691 0.43969879 0.04565331 0.69008429 0.43969879 0.45434669 0.12978309 0.56030121 0.95434669 0.30991571 0.56030121 0.54565331 0.20177768 0.66123430 0.06958807 0.13698802 0.66123430 0.43041193 0.79822232 0.33876570 0.93041193 0.86301198 0.33876570 0.56958807 0.75128525 0.11508024 0.02023762 0.13363451 0.11508024 0.47976238 0.24871475 0.88491976 0.97976238 0.86636549 0.88491976 0.52023762 0.73512432 0.29228249 0.28121982 0.97259319 0.29228249 0.21878018 0.26487568 0.70771751 0.71878018 0.02740681 0.70771751 0.78121982 0.13261873 0.49086200 0.28084580 0.37651927 0.49086200 0.21915420 0.86738127 0.50913800 0.71915420 0.62348073 0.50913800 0.78084580 0.91456331 0.88329243 0.17861146 0.20214426 0.88329243 0.32138854 0.08543669 0.11670757 0.82138854 0.79785574 0.11670757 0.67861146 0.96792045 0.37610495 0.07920198 0.65597461 0.37610495 0.42079802 0.03207955 0.62389505 0.92079802 0.34402539 0.62389505 0.57920198 0.70882505 0.64670134 0.05495081 0.64447361 0.64670134 0.44504919 0.29117495 0.35329866 0.94504919 0.35552639 0.35329866 0.55495081 0.27099321 0.42273935 0.06619276 0.30626745 0.42273935 0.43380724 0.72900679 0.57726065 0.93380724 0.69373255 0.57726065 0.56619276 0.31901689 0.60858781 0.09125966 0.07239531 0.60858781 0.40874034 0.68098311 0.39141219 0.90874034 0.92760469 0.39141219 0.59125966 0.65615799 0.27595874 0.05129554 0.06788326 0.27595874 0.44870446 0.34384201 0.72404126 0.94870446 0.93211674 0.72404126 0.55129554 0.68343013 0.07712220 0.99497666 0.23944768 0.07712220 0.50502334 0.31656987 0.92287780 0.00502334 0.76055232 0.92287780 0.49497666 0.73485822 0.19371553 0.31045624 0.07142624 0.19371553 0.18954376 0.26514178 0.80628447 0.68954376 0.92857376 0.80628447 0.81045624 0.67415698 0.51365986 0.29889028 0.81218316 0.51365986 0.20110972 0.32584302 0.48634014 0.70110972 0.18781684 0.48634014 0.79889028 0.28443371 0.26858683 0.30069956 0.44697945 0.26858683 0.19930044 0.71556629 0.73141317 0.69930044 0.55302055 0.73141317 0.80069956 0.07106756 0.42690882 0.26262342 0.50202362 0.42690882 0.23737658 0.92893244 0.57309118 0.73737658 0.49797638 0.57309118 0.76262342 0.00677592 0.65706219 0.15624049 0.33616188 0.65706219 0.34375951 0.99322408 0.34293781 0.84375951 0.66383812 0.34293781 0.65624049 0.78915490 0.10263069 0.15419892 0.10821441 0.10263069 0.34580108 0.21084510 0.89736931 0.84580108 0.89178559 0.89736931 0.65419892 M6_341_800_D2_0.02_e5_accurate 1 9.892237 -0.000000 -0.048764 4.946118 3.607912 -0.024382 -3.788350 0.000000 24.014347 Mg S O H 4 4 40 48 Direct configuration= 34 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06139723 0.87720555 0.25000000 0.93860277 0.12279445 0.75000000 0.42408613 0.89282704 0.12307464 0.68308683 0.89282704 0.37692536 0.57591387 0.10717296 0.87692536 0.31691317 0.10717296 0.62307464 0.17943867 0.18862105 0.13553312 0.63194028 0.18862105 0.36446688 0.82056133 0.81137895 0.86446688 0.36805972 0.81137895 0.63553312 0.55084210 0.88131568 0.16772580 0.56784222 0.88131568 0.33227420 0.44915790 0.11868432 0.83227420 0.43215778 0.11868432 0.66772580 0.42350780 0.98050984 0.06804523 0.59598236 0.98050984 0.43195477 0.57649220 0.01949016 0.93195477 0.40401764 0.01949016 0.56804523 0.53603125 0.52631885 0.11815284 0.93764990 0.52631885 0.38184716 0.46396875 0.47368115 0.88184716 0.06235010 0.47368115 0.61815284 0.87021244 0.43975485 0.04563568 0.69003270 0.43975485 0.45436432 0.12978756 0.56024515 0.95436432 0.30996730 0.56024515 0.54563568 0.20164122 0.66134476 0.06961873 0.13701402 0.66134476 0.43038127 0.79835878 0.33865524 0.93038127 0.86298598 0.33865524 0.56961873 0.75111753 0.11534964 0.02021116 0.13353283 0.11534964 0.47978884 0.24888247 0.88465036 0.97978884 0.86646717 0.88465036 0.52021116 0.73515196 0.29221871 0.28124516 0.97262933 0.29221871 0.21875484 0.26484804 0.70778129 0.71875484 0.02737067 0.70778129 0.78124516 0.13257552 0.49082202 0.28080866 0.37660245 0.49082202 0.21919134 0.86742448 0.50917798 0.71919134 0.62339755 0.50917798 0.78080866 0.91458955 0.88328077 0.17860381 0.20212968 0.88328077 0.32139619 0.08541045 0.11671923 0.82139619 0.79787032 0.11671923 0.67860381 0.96794814 0.37614471 0.07919322 0.65590715 0.37614471 0.42080678 0.03205186 0.62385529 0.92080678 0.34409285 0.62385529 0.57919322 0.70885834 0.64671584 0.05495583 0.64442582 0.64671584 0.44504417 0.29114166 0.35328416 0.94504417 0.35557418 0.35328416 0.55495583 0.27094349 0.42275480 0.06620136 0.30630173 0.42275480 0.43379864 0.72905651 0.57724520 0.93379864 0.69369827 0.57724520 0.56620136 0.31894665 0.60868102 0.09126908 0.07237233 0.60868102 0.40873092 0.68105335 0.39131898 0.90873092 0.92762767 0.39131898 0.59126908 0.65604497 0.27609644 0.05129096 0.06785858 0.27609644 0.44870904 0.34395503 0.72390356 0.94870904 0.93214142 0.72390356 0.55129096 0.68328961 0.07726522 0.99494653 0.23944517 0.07726522 0.50505347 0.31671039 0.92273478 0.00505347 0.76055483 0.92273478 0.49494653 0.73488203 0.19367270 0.31048298 0.07144527 0.19367270 0.18951702 0.26511797 0.80632730 0.68951702 0.92855473 0.80632730 0.81048298 0.67418207 0.51360475 0.29890502 0.81221318 0.51360475 0.20109498 0.32581793 0.48639525 0.70109498 0.18778682 0.48639525 0.79890502 0.28440657 0.26853466 0.30069250 0.44705877 0.26853466 0.19930750 0.71559343 0.73146534 0.69930750 0.55294123 0.73146534 0.80069250 0.07101603 0.42688548 0.26258748 0.50209849 0.42688548 0.23741252 0.92898397 0.57311452 0.73741252 0.49790151 0.57311452 0.76258748 0.00681488 0.65704100 0.15623047 0.33614412 0.65704100 0.34376953 0.99318512 0.34295900 0.84376953 0.66385588 0.34295900 0.65623047 0.78914834 0.10271397 0.15418427 0.10813769 0.10271397 0.34581573 0.21085166 0.89728603 0.84581573 0.89186231 0.89728603 0.65418427 M6_341_800_D2_0.02_e5_accurate 1 9.890345 -0.000000 -0.048819 4.945173 3.607957 -0.024409 -3.787759 0.000000 24.014156 Mg S O H 4 4 40 48 Direct configuration= 35 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06150439 0.87699123 0.25000000 0.93849561 0.12300877 0.75000000 0.42414818 0.89277976 0.12307440 0.68307206 0.89277976 0.37692560 0.57585182 0.10722024 0.87692560 0.31692794 0.10722024 0.62307440 0.17950538 0.18858764 0.13554014 0.63190698 0.18858764 0.36445986 0.82049462 0.81141236 0.86445986 0.36809302 0.81141236 0.63554014 0.55085338 0.88136229 0.16773747 0.56778433 0.88136229 0.33226253 0.44914662 0.11863771 0.83226253 0.43221567 0.11863771 0.66773747 0.42352373 0.98055107 0.06802373 0.59592520 0.98055107 0.43197627 0.57647627 0.01944893 0.93197627 0.40407480 0.01944893 0.56802373 0.53602670 0.52631409 0.11814057 0.93765921 0.52631409 0.38185943 0.46397330 0.47368591 0.88185943 0.06234079 0.47368591 0.61814057 0.87020781 0.43981307 0.04561737 0.68997911 0.43981307 0.45438263 0.12979219 0.56018693 0.95438263 0.31002089 0.56018693 0.54561737 0.20149948 0.66145947 0.06965058 0.13704105 0.66145947 0.43034942 0.79850052 0.33854053 0.93034942 0.86295895 0.33854053 0.56965058 0.75094335 0.11562941 0.02018368 0.13342725 0.11562941 0.47981632 0.24905665 0.88437059 0.97981632 0.86657275 0.88437059 0.52018368 0.73518066 0.29215248 0.28127147 0.97266686 0.29215248 0.21872853 0.26481934 0.70784752 0.71872853 0.02733314 0.70784752 0.78127147 0.13253064 0.49078051 0.28077009 0.37668885 0.49078051 0.21922991 0.86746936 0.50921949 0.71922991 0.62331115 0.50921949 0.78077009 0.91461682 0.88326865 0.17859587 0.20211453 0.88326865 0.32140413 0.08538318 0.11673135 0.82140413 0.79788547 0.11673135 0.67859587 0.96797691 0.37618600 0.07918412 0.65583708 0.37618600 0.42081588 0.03202309 0.62381400 0.92081588 0.34416292 0.62381400 0.57918412 0.70889292 0.64673090 0.05496105 0.64437619 0.64673090 0.44503895 0.29110708 0.35326910 0.94503895 0.35562381 0.35326910 0.55496105 0.27089184 0.42277084 0.06621029 0.30633733 0.42277084 0.43378971 0.72910816 0.57722916 0.93378971 0.69366267 0.57722916 0.56621029 0.31887371 0.60877783 0.09127887 0.07234847 0.60877783 0.40872113 0.68112629 0.39122217 0.90872113 0.92765153 0.39122217 0.59127887 0.65592759 0.27623944 0.05128621 0.06783296 0.27623944 0.44871379 0.34407241 0.72376056 0.94871379 0.93216704 0.72376056 0.55128621 0.68314367 0.07741376 0.99491523 0.23944258 0.07741376 0.50508477 0.31685633 0.92258624 0.00508477 0.76055742 0.92258624 0.49491523 0.73490675 0.19362821 0.31051075 0.07146503 0.19362821 0.18948925 0.26509325 0.80637179 0.68948925 0.92853497 0.80637179 0.81051075 0.67420813 0.51354752 0.29892032 0.81224435 0.51354752 0.20107968 0.32579187 0.48645248 0.70107968 0.18775565 0.48645248 0.79892032 0.28437838 0.26848047 0.30068517 0.44714115 0.26848047 0.19931483 0.71562162 0.73151953 0.69931483 0.55285885 0.73151953 0.80068517 0.07096251 0.42686123 0.26255015 0.50217626 0.42686123 0.23744985 0.92903749 0.57313877 0.73744985 0.49782374 0.57313877 0.76255015 0.00685535 0.65701900 0.15622007 0.33612566 0.65701900 0.34377993 0.99314465 0.34298100 0.84377993 0.66387434 0.34298100 0.65622007 0.78914153 0.10280046 0.15416906 0.10805801 0.10280046 0.34583094 0.21085847 0.89719954 0.84583094 0.89194199 0.89719954 0.65416906 M6_341_800_D2_0.02_e5_accurate 1 9.888401 -0.000000 -0.048884 4.944200 3.607974 -0.024442 -3.787183 0.000000 24.012114 Mg S O H 4 4 40 48 Direct configuration= 36 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06165928 0.87668144 0.25000000 0.93834072 0.12331856 0.75000000 0.42418488 0.89276603 0.12306791 0.68304908 0.89276603 0.37693209 0.57581512 0.10723397 0.87693209 0.31695092 0.10723397 0.62306791 0.17948891 0.18866099 0.13554918 0.63185009 0.18866099 0.36445082 0.82051109 0.81133901 0.86445082 0.36814991 0.81133901 0.63554918 0.55092201 0.88134834 0.16774780 0.56772965 0.88134834 0.33225220 0.44907799 0.11865166 0.83225220 0.43227035 0.11865166 0.66774780 0.42358329 0.98052520 0.06801825 0.59589151 0.98052520 0.43198175 0.57641671 0.01947480 0.93198175 0.40410849 0.01947480 0.56801825 0.53605440 0.52630856 0.11812042 0.93763704 0.52630856 0.38187958 0.46394560 0.47369144 0.88187958 0.06236296 0.47369144 0.61812042 0.87020638 0.43992043 0.04560779 0.68987318 0.43992043 0.45439221 0.12979362 0.56007957 0.95439221 0.31012682 0.56007957 0.54560779 0.20136585 0.66154519 0.06969753 0.13708897 0.66154519 0.43030247 0.79863415 0.33845481 0.93030247 0.86291103 0.33845481 0.56969753 0.75073070 0.11595236 0.02015303 0.13331694 0.11595236 0.47984697 0.24926930 0.88404764 0.97984697 0.86668306 0.88404764 0.52015303 0.73523146 0.29200948 0.28128802 0.97275906 0.29200948 0.21871198 0.26476854 0.70799052 0.71871198 0.02724094 0.70799052 0.78128802 0.13253765 0.49065001 0.28073302 0.37681235 0.49065001 0.21926698 0.86746235 0.50934999 0.71926698 0.62318765 0.50934999 0.78073302 0.91460840 0.88329995 0.17857189 0.20209164 0.88329995 0.32142811 0.08539160 0.11670005 0.82142811 0.79790836 0.11670005 0.67857189 0.96802208 0.37622420 0.07916919 0.65575372 0.37622420 0.42083081 0.03197792 0.62377580 0.92083081 0.34424628 0.62377580 0.57916919 0.70891794 0.64676948 0.05496474 0.64431258 0.64676948 0.44503526 0.29108206 0.35323052 0.94503526 0.35568742 0.35323052 0.55496474 0.27083913 0.42279146 0.06622234 0.30636942 0.42279146 0.43377766 0.72916087 0.57720854 0.93377766 0.69363058 0.57720854 0.56622234 0.31877008 0.60890282 0.09128079 0.07232710 0.60890282 0.40871921 0.68122992 0.39109718 0.90871921 0.92767290 0.39109718 0.59128079 0.65579494 0.27638565 0.05127518 0.06781940 0.27638565 0.44872482 0.34420506 0.72361435 0.94872482 0.93218060 0.72361435 0.55127518 0.68297920 0.07760615 0.99488678 0.23941465 0.07760615 0.50511322 0.31702080 0.92239385 0.00511322 0.76058535 0.92239385 0.49488678 0.73491817 0.19356708 0.31055363 0.07151473 0.19356708 0.18944637 0.26508183 0.80643292 0.68944637 0.92848527 0.80643292 0.81055363 0.67419463 0.51359204 0.29894472 0.81221333 0.51359204 0.20105528 0.32580537 0.48640796 0.70105528 0.18778667 0.48640796 0.79894472 0.28430973 0.26849346 0.30067414 0.44719681 0.26849346 0.19932586 0.71569027 0.73150654 0.69932586 0.55280319 0.73150654 0.80067414 0.07090410 0.42682431 0.26250972 0.50227159 0.42682431 0.23749028 0.92909590 0.57317569 0.73749028 0.49772841 0.57317569 0.76250972 0.00687671 0.65704478 0.15621467 0.33607851 0.65704478 0.34378533 0.99312329 0.34295522 0.84378533 0.66392149 0.34295522 0.65621467 0.78919416 0.10279707 0.15416336 0.10800877 0.10279707 0.34583664 0.21080584 0.89720293 0.84583664 0.89199123 0.89720293 0.65416336 M6_341_800_D2_0.02_e5_accurate 1 9.885963 -0.000000 -0.048966 4.942982 3.607995 -0.024483 -3.786461 0.000000 24.009554 Mg S O H 4 4 40 48 Direct configuration= 37 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06185350 0.87629301 0.25000000 0.93814650 0.12370699 0.75000000 0.42423090 0.89274882 0.12305976 0.68302027 0.89274882 0.37694024 0.57576910 0.10725118 0.87694024 0.31697973 0.10725118 0.62305976 0.17946827 0.18875297 0.13556051 0.63177876 0.18875297 0.36443949 0.82053173 0.81124703 0.86443949 0.36822124 0.81124703 0.63556051 0.55100808 0.88133084 0.16776075 0.56766108 0.88133084 0.33223925 0.44899192 0.11866916 0.83223925 0.43233892 0.11866916 0.66776075 0.42365798 0.98049276 0.06801138 0.59584926 0.98049276 0.43198862 0.57634202 0.01950724 0.93198862 0.40415074 0.01950724 0.56801138 0.53608914 0.52630163 0.11809515 0.93760923 0.52630163 0.38190485 0.46391086 0.47369837 0.88190485 0.06239077 0.47369837 0.61809515 0.87020461 0.44005505 0.04559578 0.68974033 0.44005505 0.45440422 0.12979539 0.55994495 0.95440422 0.31025967 0.55994495 0.54559578 0.20119826 0.66165266 0.06975641 0.13714908 0.66165266 0.43024359 0.79880174 0.33834734 0.93024359 0.86285092 0.33834734 0.56975641 0.75046406 0.11635731 0.02011459 0.13317864 0.11635731 0.47988541 0.24953594 0.88364269 0.97988541 0.86682136 0.88364269 0.52011459 0.73529514 0.29183018 0.28130877 0.97287468 0.29183018 0.21869123 0.26470486 0.70816982 0.71869123 0.02712532 0.70816982 0.78130877 0.13254642 0.49048637 0.28068654 0.37696721 0.49048637 0.21931346 0.86745358 0.50951363 0.71931346 0.62303279 0.50951363 0.78068654 0.91459786 0.88333920 0.17854181 0.20206294 0.88333920 0.32145819 0.08540214 0.11666080 0.82145819 0.79793706 0.11666080 0.67854181 0.96807873 0.37627208 0.07915046 0.65564918 0.37627208 0.42084954 0.03192127 0.62372792 0.92084954 0.34435082 0.62372792 0.57915046 0.70894932 0.64681787 0.05496936 0.64423281 0.64681787 0.44503064 0.29105068 0.35318213 0.94503064 0.35576719 0.35318213 0.55496936 0.27077304 0.42281731 0.06623745 0.30640967 0.42281731 0.43376255 0.72922696 0.57718269 0.93376255 0.69359033 0.57718269 0.56623745 0.31864013 0.60905956 0.09128320 0.07230032 0.60905956 0.40871680 0.68135987 0.39094044 0.90871680 0.92769968 0.39094044 0.59128320 0.65562860 0.27656898 0.05126135 0.06780241 0.27656898 0.44873865 0.34437140 0.72343102 0.94873865 0.93219759 0.72343102 0.55126135 0.68277296 0.07784740 0.99485110 0.23937964 0.07784740 0.50514890 0.31722704 0.92215260 0.00514890 0.76062036 0.92215260 0.49485110 0.73493249 0.19349044 0.31060741 0.07157706 0.19349044 0.18939259 0.26506751 0.80650956 0.68939259 0.92842294 0.80650956 0.81060741 0.67417771 0.51364787 0.29897531 0.81217443 0.51364787 0.20102469 0.32582229 0.48635213 0.70102469 0.18782557 0.48635213 0.79897531 0.28422363 0.26850975 0.30066031 0.44726662 0.26850975 0.19933969 0.71577637 0.73149025 0.69933969 0.55273338 0.73149025 0.80066031 0.07083085 0.42677801 0.26245901 0.50239115 0.42677801 0.23754099 0.92916915 0.57322199 0.73754099 0.49760885 0.57322199 0.76245901 0.00690351 0.65707712 0.15620791 0.33601937 0.65707712 0.34379209 0.99309649 0.34292288 0.84379209 0.66398063 0.34292288 0.65620791 0.78926017 0.10279282 0.15415620 0.10794701 0.10279282 0.34584380 0.21073983 0.89720718 0.84584380 0.89205299 0.89720718 0.65415620 M6_341_800_D2_0.02_e5_accurate 1 9.884193 -0.000000 -0.049018 4.942096 3.608048 -0.024509 -3.785924 0.000000 24.006272 Mg S O H 4 4 40 48 Direct configuration= 38 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06199267 0.87601467 0.25000000 0.93800733 0.12398533 0.75000000 0.42422641 0.89281695 0.12306977 0.68295663 0.89281695 0.37693023 0.57577359 0.10718305 0.87693023 0.31704337 0.10718305 0.62306977 0.17945455 0.18881363 0.13556170 0.63173182 0.18881363 0.36443830 0.82054545 0.81118637 0.86443830 0.36826818 0.81118637 0.63556170 0.55109330 0.88125891 0.16775555 0.56764779 0.88125891 0.33224445 0.44890670 0.11874109 0.83224445 0.43235221 0.11874109 0.66775555 0.42373744 0.98044302 0.06801703 0.59581953 0.98044302 0.43198297 0.57626256 0.01955698 0.93198297 0.40418047 0.01955698 0.56801703 0.53612752 0.52631693 0.11807249 0.93755555 0.52631693 0.38192751 0.46387248 0.47368307 0.88192751 0.06244445 0.47368307 0.61807249 0.87022950 0.44014821 0.04558555 0.68962228 0.44014821 0.45441445 0.12977050 0.55985179 0.95441445 0.31037772 0.55985179 0.54558555 0.20101724 0.66179068 0.06980198 0.13719208 0.66179068 0.43019802 0.79898276 0.33820932 0.93019802 0.86280792 0.33820932 0.56980198 0.75025716 0.11666940 0.02007993 0.13307344 0.11666940 0.47992007 0.24974284 0.88333060 0.97992007 0.86692656 0.88333060 0.52007993 0.73531183 0.29178809 0.28134095 0.97290008 0.29178809 0.21865905 0.26468817 0.70821191 0.71865905 0.02709992 0.70821191 0.78134095 0.13256412 0.49037211 0.28065364 0.37706376 0.49037211 0.21934636 0.86743588 0.50962789 0.71934636 0.62293624 0.50962789 0.78065364 0.91460476 0.88336367 0.17853583 0.20203158 0.88336367 0.32146417 0.08539524 0.11663633 0.82146417 0.79796842 0.11663633 0.67853583 0.96814616 0.37630119 0.07913727 0.65555265 0.37630119 0.42086273 0.03185384 0.62369881 0.92086273 0.34444735 0.62369881 0.57913727 0.70894065 0.64690520 0.05497214 0.64415415 0.64690520 0.44502786 0.29105935 0.35309480 0.94502786 0.35584585 0.35309480 0.55497214 0.27073291 0.42281753 0.06625170 0.30644957 0.42281753 0.43374830 0.72926709 0.57718247 0.93374830 0.69355043 0.57718247 0.56625170 0.31855482 0.60917127 0.09128597 0.07227391 0.60917127 0.40871403 0.68144518 0.39082873 0.90871403 0.92772609 0.39082873 0.59128597 0.65548661 0.27671570 0.05124639 0.06779768 0.27671570 0.44875361 0.34451339 0.72328430 0.94875361 0.93220232 0.72328430 0.55124639 0.68260337 0.07806885 0.99482935 0.23932777 0.07806885 0.50517065 0.31739663 0.92193115 0.00517065 0.76067223 0.92193115 0.49482935 0.73493397 0.19344686 0.31064753 0.07161915 0.19344686 0.18935247 0.26506603 0.80655314 0.68935247 0.92838085 0.80655314 0.81064753 0.67418694 0.51358613 0.29898956 0.81222693 0.51358613 0.20101044 0.32581306 0.48641387 0.70101044 0.18777307 0.48641387 0.79898956 0.28416403 0.26850870 0.30065025 0.44732727 0.26850870 0.19934975 0.71583597 0.73149130 0.69934975 0.55267273 0.73149130 0.80065025 0.07077287 0.42669979 0.26241630 0.50252734 0.42669979 0.23758370 0.92922713 0.57330021 0.73758370 0.49747266 0.57330021 0.76241630 0.00692952 0.65707239 0.15619485 0.33599809 0.65707239 0.34380515 0.99307048 0.34292761 0.84380515 0.66400191 0.34292761 0.65619485 0.78930053 0.10280992 0.15414335 0.10788955 0.10280992 0.34585665 0.21069947 0.89719008 0.84585665 0.89211045 0.89719008 0.65414335 M6_341_800_D2_0.02_e5_accurate 1 9.882179 -0.000000 -0.049076 4.941089 3.608109 -0.024538 -3.785314 0.000000 24.002539 Mg S O H 4 4 40 48 Direct configuration= 39 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06215098 0.87569804 0.25000000 0.93784902 0.12430196 0.75000000 0.42422131 0.89289445 0.12308115 0.68288424 0.89289445 0.37691885 0.57577869 0.10710555 0.87691885 0.31711576 0.10710555 0.62308115 0.17943895 0.18888263 0.13556305 0.63167842 0.18888263 0.36443695 0.82056105 0.81111737 0.86443695 0.36832158 0.81111737 0.63556305 0.55119026 0.88117708 0.16774963 0.56763266 0.88117708 0.33225037 0.44880974 0.11882292 0.83225037 0.43236734 0.11882292 0.66774963 0.42382785 0.98038644 0.06802345 0.59578571 0.98038644 0.43197655 0.57617215 0.01961356 0.93197655 0.40421429 0.01961356 0.56802345 0.53617118 0.52633433 0.11804672 0.93749448 0.52633433 0.38195328 0.46382882 0.47366567 0.88195328 0.06250552 0.47366567 0.61804672 0.87025784 0.44025417 0.04557390 0.68948798 0.44025417 0.45442610 0.12974216 0.55974583 0.95442610 0.31051202 0.55974583 0.54557390 0.20081130 0.66194768 0.06985383 0.13724102 0.66194768 0.43014617 0.79918870 0.33805232 0.93014617 0.86275898 0.33805232 0.56985383 0.75002180 0.11702441 0.02004048 0.13295379 0.11702441 0.47995952 0.24997820 0.88297559 0.97995952 0.86704621 0.88297559 0.52004048 0.73533082 0.29174021 0.28137755 0.97292897 0.29174021 0.21862245 0.26466918 0.70825979 0.71862245 0.02707103 0.70825979 0.78137755 0.13258425 0.49024215 0.28061621 0.37717361 0.49024215 0.21938379 0.86741575 0.50975785 0.71938379 0.62282639 0.50975785 0.78061621 0.91461261 0.88339150 0.17852903 0.20199589 0.88339150 0.32147097 0.08538739 0.11660850 0.82147097 0.79800411 0.11660850 0.67852903 0.96822289 0.37633430 0.07912225 0.65544281 0.37633430 0.42087775 0.03177711 0.62366570 0.92087775 0.34455719 0.62366570 0.57912225 0.70893080 0.64700454 0.05497531 0.64406466 0.64700454 0.44502469 0.29106920 0.35299546 0.94502469 0.35593534 0.35299546 0.55497531 0.27068726 0.42281778 0.06626791 0.30649497 0.42281778 0.43373209 0.72931274 0.57718222 0.93373209 0.69350503 0.57718222 0.56626791 0.31845778 0.60929835 0.09128912 0.07224388 0.60929835 0.40871088 0.68154222 0.39070165 0.90871088 0.92775612 0.39070165 0.59128912 0.65532507 0.27688260 0.05122936 0.06779232 0.27688260 0.44877064 0.34467493 0.72311740 0.94877064 0.93220768 0.72311740 0.55122936 0.68241045 0.07832076 0.99480460 0.23926879 0.07832076 0.50519540 0.31758955 0.92167924 0.00519540 0.76073121 0.92167924 0.49480460 0.73493566 0.19339730 0.31069317 0.07166704 0.19339730 0.18930683 0.26506434 0.80660270 0.68930683 0.92833296 0.80660270 0.81069317 0.67419745 0.51351590 0.29900577 0.81228665 0.51351590 0.20099423 0.32580255 0.48648410 0.70099423 0.18771335 0.48648410 0.79900577 0.28409623 0.26850750 0.30063880 0.44739627 0.26850750 0.19936120 0.71590377 0.73149250 0.69936120 0.55260373 0.73149250 0.80063880 0.07070690 0.42661081 0.26236770 0.50268229 0.42661081 0.23763230 0.92929310 0.57338919 0.73763230 0.49731771 0.57338919 0.76236770 0.00695911 0.65706701 0.15618000 0.33597387 0.65706701 0.34382000 0.99304089 0.34293299 0.84382000 0.66402613 0.34293299 0.65618000 0.78934645 0.10282938 0.15412874 0.10782417 0.10282938 0.34587126 0.21065355 0.89717062 0.84587126 0.89217583 0.89717062 0.65412874 M6_341_800_D2_0.02_e5_accurate 1 9.881208 -0.000000 -0.048921 4.940604 3.608217 -0.024461 -3.784578 0.000000 24.000004 Mg S O H 4 4 40 48 Direct configuration= 40 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06217347 0.87565306 0.25000000 0.93782653 0.12434694 0.75000000 0.42425158 0.89286455 0.12308405 0.68288387 0.89286455 0.37691595 0.57574842 0.10713545 0.87691595 0.31711613 0.10713545 0.62308405 0.17943210 0.18890625 0.13555744 0.63166165 0.18890625 0.36444256 0.82056790 0.81109375 0.86444256 0.36833835 0.81109375 0.63555744 0.55126151 0.88111592 0.16774666 0.56762258 0.88111592 0.33225334 0.44873849 0.11888408 0.83225334 0.43237742 0.11888408 0.66774666 0.42386436 0.98041145 0.06803054 0.59572419 0.98041145 0.43196946 0.57613564 0.01958855 0.93196946 0.40427581 0.01958855 0.56803054 0.53616965 0.52640034 0.11803775 0.93743001 0.52640034 0.38196225 0.46383035 0.47359966 0.88196225 0.06256999 0.47359966 0.61803775 0.87023671 0.44036010 0.04556167 0.68940318 0.44036010 0.45443833 0.12976329 0.55963990 0.95443833 0.31059682 0.55963990 0.54556167 0.20067056 0.66208628 0.06988344 0.13724317 0.66208628 0.43011656 0.79932944 0.33791372 0.93011656 0.86275683 0.33791372 0.56988344 0.74993329 0.11721494 0.02002277 0.13285177 0.11721494 0.47997723 0.25006671 0.88278506 0.97997723 0.86714823 0.88278506 0.52002277 0.73534737 0.29167318 0.28140605 0.97297945 0.29167318 0.21859395 0.26465263 0.70832682 0.71859395 0.02702055 0.70832682 0.78140605 0.13252221 0.49022046 0.28058626 0.37725733 0.49022046 0.21941374 0.86747779 0.50977954 0.71941374 0.62274267 0.50977954 0.78058626 0.91465148 0.88334390 0.17853819 0.20200462 0.88334390 0.32146181 0.08534852 0.11665610 0.82146181 0.79799538 0.11665610 0.67853819 0.96829577 0.37634756 0.07912050 0.65535666 0.37634756 0.42087950 0.03170423 0.62365244 0.92087950 0.34464334 0.62365244 0.57912050 0.70894752 0.64704037 0.05497394 0.64401211 0.64704037 0.44502606 0.29105248 0.35295963 0.94502606 0.35598789 0.35295963 0.55497394 0.27066919 0.42280890 0.06627919 0.30652192 0.42280890 0.43372081 0.72933081 0.57719110 0.93372081 0.69347808 0.57719110 0.56627919 0.31839891 0.60936530 0.09128883 0.07223580 0.60936530 0.40871117 0.68160109 0.39063470 0.90871117 0.92776420 0.39063470 0.59128883 0.65522144 0.27699003 0.05121631 0.06778851 0.27699003 0.44878369 0.34477856 0.72300997 0.94878369 0.93221149 0.72300997 0.55121631 0.68227183 0.07847735 0.99478767 0.23925082 0.07847735 0.50521233 0.31772817 0.92152265 0.00521233 0.76074918 0.92152265 0.49478767 0.73492430 0.19341617 0.31071091 0.07165953 0.19341617 0.18928909 0.26507570 0.80658383 0.68928909 0.92834047 0.80658383 0.81071091 0.67420607 0.51344328 0.29901175 0.81235065 0.51344328 0.20098825 0.32579393 0.48655672 0.70098825 0.18764935 0.48655672 0.79901175 0.28411379 0.26841108 0.30063806 0.44747514 0.26841108 0.19936194 0.71588621 0.73158892 0.69936194 0.55252486 0.73158892 0.80063806 0.07071086 0.42653313 0.26234753 0.50275600 0.42653313 0.23765247 0.92928914 0.57346687 0.73765247 0.49724400 0.57346687 0.76234753 0.00695309 0.65709436 0.15616783 0.33595255 0.65709436 0.34383217 0.99304691 0.34290564 0.84383217 0.66404745 0.34290564 0.65616783 0.78936140 0.10286064 0.15411254 0.10777796 0.10286064 0.34588746 0.21063860 0.89713936 0.84588746 0.89222204 0.89713936 0.65411254 M6_341_800_D2_0.02_e5_accurate 1 9.881233 -0.000000 -0.048925 4.940616 3.608214 -0.024463 -3.784597 0.000000 24.000069 Mg S O H 4 4 40 48 Direct configuration= 41 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06217290 0.87565421 0.25000000 0.93782710 0.12434579 0.75000000 0.42425080 0.89286532 0.12308397 0.68288388 0.89286532 0.37691603 0.57574920 0.10713468 0.87691603 0.31711612 0.10713468 0.62308397 0.17943227 0.18890564 0.13555758 0.63166208 0.18890564 0.36444242 0.82056773 0.81109436 0.86444242 0.36833792 0.81109436 0.63555758 0.55125968 0.88111749 0.16774673 0.56762283 0.88111749 0.33225327 0.44874032 0.11888251 0.83225327 0.43237717 0.11888251 0.66774673 0.42386342 0.98041081 0.06803035 0.59572577 0.98041081 0.43196965 0.57613658 0.01958919 0.93196965 0.40427423 0.01958919 0.56803035 0.53616969 0.52639864 0.11803798 0.93743167 0.52639864 0.38196202 0.46383031 0.47360136 0.88196202 0.06256833 0.47360136 0.61803798 0.87023725 0.44035738 0.04556198 0.68940536 0.44035738 0.45443802 0.12976275 0.55964262 0.95443802 0.31059464 0.55964262 0.54556198 0.20067417 0.66208272 0.06988268 0.13724311 0.66208272 0.43011732 0.79932583 0.33791728 0.93011732 0.86275689 0.33791728 0.56988268 0.74993556 0.11721005 0.02002322 0.13285439 0.11721005 0.47997678 0.25006444 0.88278995 0.97997678 0.86714561 0.88278995 0.52002322 0.73534694 0.29167490 0.28140532 0.97297816 0.29167490 0.21859468 0.26465306 0.70832510 0.71859468 0.02702184 0.70832510 0.78140532 0.13252380 0.49022102 0.28058703 0.37725518 0.49022102 0.21941297 0.86747620 0.50977898 0.71941297 0.62274482 0.50977898 0.78058703 0.91465048 0.88334512 0.17853796 0.20200440 0.88334512 0.32146204 0.08534952 0.11665488 0.82146204 0.79799560 0.11665488 0.67853796 0.96829390 0.37634722 0.07912054 0.65535887 0.37634722 0.42087946 0.03170610 0.62365278 0.92087946 0.34464113 0.62365278 0.57912054 0.70894710 0.64703945 0.05497397 0.64401345 0.64703945 0.44502603 0.29105290 0.35296055 0.94502603 0.35598655 0.35296055 0.55497397 0.27066966 0.42280913 0.06627890 0.30652122 0.42280913 0.43372110 0.72933034 0.57719087 0.93372110 0.69347878 0.57719087 0.56627890 0.31840041 0.60936358 0.09128884 0.07223601 0.60936358 0.40871116 0.68159959 0.39063642 0.90871116 0.92776399 0.39063642 0.59128884 0.65522410 0.27698728 0.05121664 0.06778861 0.27698728 0.44878336 0.34477590 0.72301272 0.94878336 0.93221139 0.72301272 0.55121664 0.68227539 0.07847333 0.99478810 0.23925128 0.07847333 0.50521190 0.31772461 0.92152667 0.00521190 0.76074872 0.92152667 0.49478810 0.73492459 0.19341568 0.31071046 0.07165972 0.19341568 0.18928954 0.26507541 0.80658432 0.68928954 0.92834028 0.80658432 0.81071046 0.67420585 0.51344514 0.29901160 0.81234901 0.51344514 0.20098840 0.32579415 0.48655486 0.70098840 0.18765099 0.48655486 0.79901160 0.28411334 0.26841355 0.30063808 0.44747311 0.26841355 0.19936192 0.71588666 0.73158645 0.69936192 0.55252689 0.73158645 0.80063808 0.07071076 0.42653512 0.26234805 0.50275411 0.42653512 0.23765195 0.92928924 0.57346488 0.73765195 0.49724589 0.57346488 0.76234805 0.00695325 0.65709366 0.15616815 0.33595309 0.65709366 0.34383185 0.99304675 0.34290634 0.84383185 0.66404691 0.34290634 0.65616815 0.78936102 0.10285984 0.15411295 0.10777915 0.10285984 0.34588705 0.21063898 0.89714016 0.84588705 0.89222085 0.89714016 0.65411295 M6_341_800_D2_0.02_e5_accurate 1 9.881053 -0.000000 -0.048855 4.940527 3.608307 -0.024428 -3.784366 0.000000 23.998663 Mg S O H 4 4 40 48 Direct configuration= 42 -0.00000000 0.00000000 -0.00000000 -0.00000000 0.00000000 0.50000000 0.06212022 0.87575957 0.25000000 0.93787978 0.12424043 0.75000000 0.42427638 0.89285034 0.12308126 0.68287328 0.89285034 0.37691874 0.57572362 0.10714966 0.87691874 0.31712672 0.10714966 0.62308126 0.17944728 0.18888236 0.13554874 0.63167036 0.18888236 0.36445126 0.82055272 0.81111764 0.86445126 0.36832964 0.81111764 0.63554874 0.55130593 0.88108211 0.16774819 0.56761196 0.88108211 0.33225181 0.44869407 0.11891789 0.83225181 0.43238804 0.11891789 0.66774819 0.42386687 0.98048403 0.06803305 0.59564910 0.98048403 0.43196695 0.57613313 0.01951597 0.93196695 0.40435090 0.01951597 0.56803305 0.53616060 0.52642551 0.11803885 0.93741389 0.52642551 0.38196115 0.46383940 0.47357449 0.88196115 0.06258611 0.47357449 0.61803885 0.87024803 0.44040581 0.04555825 0.68934616 0.44040581 0.45444175 0.12975197 0.55959419 0.95444175 0.31065384 0.55959419 0.54555825 0.20059429 0.66216349 0.06990171 0.13724222 0.66216349 0.43009829 0.79940571 0.33783651 0.93009829 0.86275778 0.33783651 0.56990171 0.74988655 0.11730874 0.02000845 0.13280471 0.11730874 0.47999155 0.25011345 0.88269126 0.97999155 0.86719529 0.88269126 0.52000845 0.73537980 0.29159554 0.28141252 0.97302466 0.29159554 0.21858748 0.26462020 0.70840446 0.71858748 0.02697534 0.70840446 0.78141252 0.13252801 0.49015878 0.28058060 0.37731321 0.49015878 0.21941940 0.86747199 0.50984122 0.71941940 0.62268679 0.50984122 0.78058060 0.91464160 0.88335963 0.17853913 0.20199877 0.88335963 0.32146087 0.08535840 0.11664037 0.82146087 0.79800123 0.11664037 0.67853913 0.96832727 0.37637353 0.07911508 0.65529920 0.37637353 0.42088492 0.03167273 0.62362647 0.92088492 0.34470080 0.62362647 0.57911508 0.70896088 0.64706266 0.05497170 0.64397646 0.64706266 0.44502830 0.29103912 0.35293734 0.94502830 0.35602354 0.35293734 0.55497170 0.27065157 0.42283664 0.06628728 0.30651180 0.42283664 0.43371272 0.72934843 0.57716336 0.93371272 0.69348820 0.57716336 0.56628728 0.31835191 0.60940645 0.09128597 0.07224165 0.60940645 0.40871403 0.68164809 0.39059355 0.90871403 0.92775835 0.39059355 0.59128597 0.65516185 0.27705826 0.05120635 0.06777988 0.27705826 0.44879365 0.34483815 0.72294174 0.94879365 0.93222012 0.72294174 0.55120635 0.68220150 0.07857672 0.99478320 0.23922178 0.07857672 0.50521680 0.31779850 0.92142328 0.00521680 0.76077822 0.92142328 0.49478320 0.73490744 0.19343343 0.31072351 0.07165913 0.19343343 0.18927649 0.26509256 0.80656657 0.68927649 0.92834087 0.80656657 0.81072351 0.67420333 0.51340831 0.29901519 0.81238836 0.51340831 0.20098481 0.32579667 0.48659169 0.70098481 0.18761164 0.48659169 0.79901519 0.28409970 0.26838049 0.30063265 0.44751981 0.26838049 0.19936735 0.71590030 0.73161951 0.69936735 0.55248019 0.73161951 0.80063265 0.07073134 0.42644555 0.26233743 0.50282311 0.42644555 0.23766257 0.92926866 0.57355445 0.73766257 0.49717689 0.57355445 0.76233743 0.00693007 0.65713919 0.15616024 0.33593074 0.65713919 0.34383976 0.99306993 0.34286081 0.84383976 0.66406926 0.34286081 0.65616024 0.78941373 0.10280288 0.15410883 0.10778339 0.10280288 0.34589117 0.21058627 0.89719712 0.84589117 0.89221661 0.89719712 0.65410883