M6_341_750_noD2_0.02_e5_accurate 1 10.123722 0.000000 -0.105229 5.061861 3.615711 -0.052614 -4.009408 0.000000 24.470498 Mg S O H 4 4 40 48 Direct configuration= 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.06013218 0.87973563 0.25000000 0.93986782 0.12026437 0.75000000 0.42238149 0.89497018 0.12337870 0.68264833 0.89497018 0.37662130 0.57761851 0.10502982 0.87662130 0.31735167 0.10502982 0.62337870 0.17986314 0.19137611 0.13530279 0.62876074 0.19137611 0.36469721 0.82013686 0.80862389 0.86469721 0.37123926 0.80862389 0.63530279 0.54692327 0.88216920 0.16801929 0.57090752 0.88216920 0.33198071 0.45307673 0.11783080 0.83198071 0.42909248 0.11783080 0.66801929 0.42331939 0.98018293 0.06981597 0.59649768 0.98018293 0.43018403 0.57668061 0.01981707 0.93018403 0.40350232 0.01981707 0.56981597 0.53561904 0.52882504 0.11793184 0.93555593 0.52882504 0.38206816 0.46438096 0.47117496 0.88206816 0.06444407 0.47117496 0.61793184 0.86806501 0.43842446 0.04738655 0.69351053 0.43842446 0.45261345 0.13193499 0.56157554 0.95261345 0.30648947 0.56157554 0.54738655 0.21263594 0.64894474 0.06738965 0.13841932 0.64894474 0.43261035 0.78736406 0.35105526 0.93261035 0.86158068 0.35105526 0.56738965 0.75922786 0.10443781 0.02048618 0.13633433 0.10443781 0.47951382 0.24077214 0.89556219 0.97951382 0.86366567 0.89556219 0.52048618 0.73533671 0.29390033 0.28163344 0.97076297 0.29390033 0.21836656 0.26466329 0.70609967 0.71836656 0.02923703 0.70609967 0.78163344 0.13912957 0.48787012 0.28109742 0.37300031 0.48787012 0.21890258 0.86087043 0.51212988 0.71890258 0.62699969 0.51212988 0.78109742 0.91330038 0.88656671 0.17911048 0.20013291 0.88656671 0.32088952 0.08669962 0.11343329 0.82088952 0.79986709 0.11343329 0.67911048 0.96603907 0.37832826 0.07975505 0.65563267 0.37832826 0.42024495 0.03396093 0.62167174 0.92024495 0.34436733 0.62167174 0.57975505 0.70923712 0.64409012 0.05715760 0.64667276 0.64409012 0.44284240 0.29076288 0.35590988 0.94284240 0.35332724 0.35590988 0.55715760 0.27916914 0.41441456 0.06689784 0.30641630 0.41441456 0.43310216 0.72083086 0.58558544 0.93310216 0.69358370 0.58558544 0.56689784 0.32549963 0.60185776 0.08931743 0.07264261 0.60185776 0.41068257 0.67450037 0.39814224 0.91068257 0.92735739 0.39814224 0.58931743 0.66739782 0.26158752 0.05143212 0.07101466 0.26158752 0.44856788 0.33260218 0.73841248 0.94856788 0.92898534 0.73841248 0.55143212 0.69111442 0.06763788 0.99630409 0.24124770 0.06763788 0.50369591 0.30888558 0.93236212 0.00369591 0.75875230 0.93236212 0.49630409 0.73489159 0.19680519 0.30987585 0.06830322 0.19680519 0.19012415 0.26510841 0.80319481 0.69012415 0.93169678 0.80319481 0.80987585 0.67329404 0.51519823 0.29920091 0.81150773 0.51519823 0.20079909 0.32670596 0.48480177 0.70079909 0.18849227 0.48480177 0.79920091 0.29114514 0.26692367 0.30074508 0.44193119 0.26692367 0.19925492 0.70885486 0.73307633 0.69925492 0.55806881 0.73307633 0.80074508 0.07856888 0.42380057 0.26462981 0.49763055 0.42380057 0.23537019 0.92143112 0.57619943 0.73537019 0.50236945 0.57619943 0.76462981 0.00512528 0.65884022 0.15756063 0.33603450 0.65884022 0.34243937 0.99487472 0.34115978 0.84243937 0.66396550 0.34115978 0.65756063 0.78830189 0.10280415 0.15454117 0.10889396 0.10280415 0.34545883 0.21169811 0.89719585 0.84545883 0.89110604 0.89719585 0.65454117 M6_341_750_noD2_0.02_e5_accurate 1 10.126998 0.000000 -0.108753 5.063499 3.615959 -0.054377 -4.019173 -0.000000 24.475586 Mg S O H 4 4 40 48 Direct configuration= 2 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05987589 0.88024821 0.25000000 0.94012411 0.11975179 0.75000000 0.42241217 0.89497717 0.12332223 0.68261066 0.89497717 0.37667777 0.57758783 0.10502283 0.87667777 0.31738934 0.10502283 0.62332223 0.17997210 0.19103623 0.13529101 0.62899166 0.19103623 0.36470899 0.82002790 0.80896377 0.86470899 0.37100834 0.80896377 0.63529101 0.54721448 0.88183166 0.16807575 0.57095385 0.88183166 0.33192425 0.45278552 0.11816834 0.83192425 0.42904615 0.11816834 0.66807575 0.42302539 0.98080836 0.06979255 0.59616626 0.98080836 0.43020745 0.57697461 0.01919164 0.93020745 0.40383374 0.01919164 0.56979255 0.53549143 0.52870605 0.11794810 0.93580253 0.52870605 0.38205190 0.46450857 0.47129395 0.88205190 0.06419747 0.47129395 0.61794810 0.86808394 0.43836381 0.04739304 0.69355225 0.43836381 0.45260696 0.13191606 0.56163619 0.95260696 0.30644775 0.56163619 0.54739304 0.21278040 0.64878854 0.06739118 0.13843106 0.64878854 0.43260882 0.78721960 0.35121146 0.93260882 0.86156894 0.35121146 0.56739118 0.75913694 0.10440578 0.02054083 0.13645728 0.10440578 0.47945917 0.24086306 0.89559422 0.97945917 0.86354272 0.89559422 0.52054083 0.73534100 0.29377256 0.28162369 0.97088646 0.29377256 0.21837631 0.26465900 0.70622744 0.71837631 0.02911354 0.70622744 0.78162369 0.13914313 0.48778579 0.28102031 0.37307108 0.48778579 0.21897969 0.86085687 0.51221421 0.71897969 0.62692892 0.51221421 0.78102031 0.91355545 0.88623398 0.17909018 0.20021057 0.88623398 0.32090982 0.08644455 0.11376602 0.82090982 0.79978943 0.11376602 0.67909018 0.96606520 0.37809536 0.07972995 0.65583944 0.37809536 0.42027005 0.03393480 0.62190464 0.92027005 0.34416056 0.62190464 0.57972995 0.70926905 0.64395791 0.05713916 0.64677304 0.64395791 0.44286084 0.29073095 0.35604209 0.94286084 0.35322696 0.35604209 0.55713916 0.27923051 0.41422930 0.06687935 0.30654019 0.41422930 0.43312065 0.72076949 0.58577070 0.93312065 0.69345981 0.58577070 0.56687935 0.32530743 0.60207782 0.08929076 0.07261475 0.60207782 0.41070924 0.67469257 0.39792218 0.91070924 0.92738525 0.39792218 0.58929076 0.66736076 0.26157850 0.05139759 0.07106074 0.26157850 0.44860241 0.33263924 0.73842150 0.94860241 0.92893926 0.73842150 0.55139759 0.69120347 0.06765710 0.99627562 0.24113943 0.06765710 0.50372438 0.30879653 0.93234290 0.00372438 0.75886057 0.93234290 0.49627562 0.73498108 0.19669064 0.30991002 0.06832828 0.19669064 0.19008998 0.26501892 0.80330936 0.69008998 0.93167172 0.80330936 0.80991002 0.67338314 0.51512568 0.29921503 0.81149118 0.51512568 0.20078497 0.32661686 0.48487432 0.70078497 0.18850882 0.48487432 0.79921503 0.29103266 0.26697179 0.30072811 0.44199555 0.26697179 0.19927189 0.70896734 0.73302821 0.69927189 0.55800445 0.73302821 0.80072811 0.07858346 0.42381291 0.26460637 0.49760363 0.42381291 0.23539363 0.92141654 0.57618709 0.73539363 0.50239637 0.57618709 0.76460637 0.00501485 0.65905637 0.15757560 0.33592878 0.65905637 0.34242440 0.99498515 0.34094363 0.84242440 0.66407122 0.34094363 0.65757560 0.78838628 0.10280422 0.15462530 0.10880950 0.10280422 0.34537470 0.21161372 0.89719578 0.84537470 0.89119050 0.89719578 0.65462530 M6_341_750_noD2_0.02_e5_accurate 1 10.126478 0.000000 -0.108194 5.063239 3.615920 -0.054097 -4.017623 -0.000000 24.474778 Mg S O H 4 4 40 48 Direct configuration= 3 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05991656 0.88016687 0.25000000 0.94008344 0.11983313 0.75000000 0.42240731 0.89497606 0.12333119 0.68261663 0.89497606 0.37666881 0.57759269 0.10502394 0.87666881 0.31738337 0.10502394 0.62333119 0.17995481 0.19109016 0.13529288 0.62895502 0.19109016 0.36470712 0.82004519 0.80890984 0.86470712 0.37104498 0.80890984 0.63529288 0.54716826 0.88188522 0.16806679 0.57094651 0.88188522 0.33193321 0.45283174 0.11811478 0.83193321 0.42905349 0.11811478 0.66806679 0.42307204 0.98070911 0.06979626 0.59621884 0.98070911 0.43020374 0.57692796 0.01929089 0.93020374 0.40378116 0.01929089 0.56979626 0.53551167 0.52872493 0.11794553 0.93576341 0.52872493 0.38205447 0.46448833 0.47127507 0.88205447 0.06423659 0.47127507 0.61794553 0.86808094 0.43837343 0.04739201 0.69354563 0.43837343 0.45260799 0.13191906 0.56162657 0.95260799 0.30645437 0.56162657 0.54739201 0.21275748 0.64881333 0.06739094 0.13842920 0.64881333 0.43260906 0.78724252 0.35118667 0.93260906 0.86157080 0.35118667 0.56739094 0.75915136 0.10441086 0.02053216 0.13643778 0.10441086 0.47946784 0.24084864 0.89558914 0.97946784 0.86356222 0.89558914 0.52053216 0.73534032 0.29379283 0.28162524 0.97086686 0.29379283 0.21837476 0.26465968 0.70620717 0.71837476 0.02913314 0.70620717 0.78162524 0.13914099 0.48779917 0.28103255 0.37305984 0.48779917 0.21896745 0.86085901 0.51220083 0.71896745 0.62694016 0.51220083 0.78103255 0.91351498 0.88628678 0.17909340 0.20019824 0.88628678 0.32090660 0.08648502 0.11371322 0.82090660 0.79980176 0.11371322 0.67909340 0.96606105 0.37813232 0.07973393 0.65580663 0.37813232 0.42026607 0.03393895 0.62186768 0.92026607 0.34419337 0.62186768 0.57973393 0.70926398 0.64397889 0.05714209 0.64675713 0.64397889 0.44285791 0.29073602 0.35602111 0.94285791 0.35324287 0.35602111 0.55714209 0.27922077 0.41425870 0.06688229 0.30652053 0.41425870 0.43311771 0.72077923 0.58574130 0.93311771 0.69347947 0.58574130 0.56688229 0.32533793 0.60204290 0.08929500 0.07261917 0.60204290 0.41070500 0.67466207 0.39795710 0.91070500 0.92738083 0.39795710 0.58929500 0.66736664 0.26157993 0.05140307 0.07105343 0.26157993 0.44859693 0.33263336 0.73842007 0.94859693 0.92894657 0.73842007 0.55140307 0.69118935 0.06765405 0.99628014 0.24115660 0.06765405 0.50371986 0.30881065 0.93234595 0.00371986 0.75884340 0.93234595 0.49628014 0.73496688 0.19670882 0.30990459 0.06832430 0.19670882 0.19009541 0.26503312 0.80329118 0.69009541 0.93167570 0.80329118 0.80990459 0.67336900 0.51513719 0.29921279 0.81149381 0.51513719 0.20078721 0.32663100 0.48486281 0.70078721 0.18850619 0.48486281 0.79921279 0.29105051 0.26696416 0.30073081 0.44198533 0.26696416 0.19926919 0.70894949 0.73303584 0.69926919 0.55801467 0.73303584 0.80073081 0.07858115 0.42381095 0.26461009 0.49760790 0.42381095 0.23538991 0.92141885 0.57618905 0.73538991 0.50239210 0.57618905 0.76461009 0.00503237 0.65902207 0.15757322 0.33594556 0.65902207 0.34242678 0.99496763 0.34097793 0.84242678 0.66405444 0.34097793 0.65757322 0.78837288 0.10280421 0.15461195 0.10882291 0.10280421 0.34538805 0.21162712 0.89719579 0.84538805 0.89117709 0.89719579 0.65461195 M6_341_750_noD2_0.02_e5_accurate 1 10.128245 0.000000 -0.110018 5.064122 3.616021 -0.055009 -4.022700 -0.000000 24.477726 Mg S O H 4 4 40 48 Direct configuration= 4 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05979000 0.88041999 0.25000000 0.94021000 0.11958001 0.75000000 0.42246696 0.89489059 0.12333429 0.68264245 0.89489059 0.37666571 0.57753304 0.10510941 0.87666571 0.31735755 0.10510941 0.62333429 0.18005223 0.19087184 0.13528147 0.62907592 0.19087184 0.36471853 0.81994777 0.80912816 0.86471853 0.37092408 0.80912816 0.63528147 0.54727108 0.88170136 0.16806961 0.57102756 0.88170136 0.33193039 0.45272892 0.11829864 0.83193039 0.42897244 0.11829864 0.66806961 0.42292253 0.98101141 0.06979057 0.59606606 0.98101141 0.43020943 0.57707747 0.01898859 0.93020943 0.40393394 0.01898859 0.56979057 0.53541517 0.52879568 0.11794808 0.93578916 0.52879568 0.38205192 0.46458483 0.47120432 0.88205192 0.06421084 0.47120432 0.61794808 0.86804660 0.43836131 0.04738124 0.69359209 0.43836131 0.45261876 0.13195340 0.56163869 0.95261876 0.30640791 0.56163869 0.54738124 0.21275761 0.64872579 0.06737084 0.13851660 0.64872579 0.43262916 0.78724239 0.35127421 0.93262916 0.86148340 0.35127421 0.56737084 0.75921064 0.10427577 0.02054761 0.13651359 0.10427577 0.47945239 0.24078936 0.89572423 0.97945239 0.86348641 0.89572423 0.52054761 0.73532961 0.29374434 0.28163417 0.97092605 0.29374434 0.21836583 0.26467039 0.70625566 0.71836583 0.02907395 0.70625566 0.78163417 0.13917561 0.48776196 0.28099244 0.37306242 0.48776196 0.21900756 0.86082439 0.51223804 0.71900756 0.62693758 0.51223804 0.78099244 0.91361521 0.88624032 0.17910502 0.20014447 0.88624032 0.32089498 0.08638479 0.11375968 0.82089498 0.79985553 0.11375968 0.67910502 0.96611076 0.37797836 0.07973319 0.65591088 0.37797836 0.42026681 0.03388924 0.62202164 0.92026681 0.34408912 0.62202164 0.57973319 0.70929458 0.64389077 0.05713139 0.64681465 0.64389077 0.44286861 0.29070542 0.35610923 0.94286861 0.35318535 0.35610923 0.55713139 0.27924487 0.41421238 0.06687302 0.30654275 0.41421238 0.43312698 0.72075513 0.58578762 0.93312698 0.69345725 0.58578762 0.56687302 0.32531204 0.60212435 0.08929595 0.07256361 0.60212435 0.41070405 0.67468796 0.39787565 0.91070405 0.92743639 0.39787565 0.58929595 0.66727580 0.26167842 0.05140366 0.07104579 0.26167842 0.44859634 0.33272420 0.73832158 0.94859634 0.92895421 0.73832158 0.55140366 0.69121251 0.06766380 0.99625839 0.24112368 0.06766380 0.50374161 0.30878749 0.93233620 0.00374161 0.75887632 0.93233620 0.49625839 0.73502397 0.19666052 0.30991528 0.06831551 0.19666052 0.19008472 0.26497603 0.80333948 0.69008472 0.93168449 0.80333948 0.80991528 0.67343370 0.51504728 0.29921712 0.81151902 0.51504728 0.20078288 0.32656630 0.48495272 0.70078288 0.18848098 0.48495272 0.79921712 0.29098199 0.26699914 0.30071943 0.44201887 0.26699914 0.19928057 0.70901801 0.73300086 0.69928057 0.55798113 0.73300086 0.80071943 0.07856560 0.42380399 0.26458926 0.49763042 0.42380399 0.23541074 0.92143440 0.57619601 0.73541074 0.50236958 0.57619601 0.76458926 0.00503160 0.65898718 0.15756463 0.33598122 0.65898718 0.34243537 0.99496840 0.34101282 0.84243537 0.66401878 0.34101282 0.65756463 0.78840297 0.10283046 0.15465462 0.10876657 0.10283046 0.34534538 0.21159703 0.89716954 0.84534538 0.89123343 0.89716954 0.65465462 M6_341_750_noD2_0.02_e5_accurate 1 10.131947 0.000000 -0.113839 5.065973 3.616235 -0.056919 -4.033338 -0.000000 24.483901 Mg S O H 4 4 40 48 Direct configuration= 5 0.00000000 -0.00000000 0.00000000 0.00000000 -0.00000000 0.50000000 0.05952483 0.88095033 0.25000000 0.94047517 0.11904967 0.75000000 0.42259193 0.89471151 0.12334077 0.68269656 0.89471151 0.37665923 0.57740807 0.10528849 0.87665923 0.31730344 0.10528849 0.62334077 0.18025633 0.19041443 0.13525756 0.62932923 0.19041443 0.36474244 0.81974367 0.80958557 0.86474244 0.37067077 0.80958557 0.63525756 0.54748650 0.88131612 0.16807551 0.57119737 0.88131612 0.33192449 0.45251350 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0.89145942 0.89700215 0.65479325 M6_341_750_noD2_0.02_e5_accurate 1 10.135383 0.000000 -0.118598 5.067692 3.616493 -0.059299 -4.046172 -0.000000 24.486969 Mg S O H 4 4 40 48 Direct configuration= 7 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05929717 0.88140564 0.25000000 0.94070283 0.11859436 0.75000000 0.42260761 0.89471298 0.12331161 0.68267940 0.89471298 0.37668839 0.57739239 0.10528702 0.87668839 0.31732060 0.10528702 0.62331161 0.18050839 0.18994606 0.13523472 0.62954554 0.18994606 0.36476528 0.81949161 0.81005394 0.86476528 0.37045446 0.81005394 0.63523472 0.54770067 0.88079421 0.16803645 0.57150511 0.88079421 0.33196355 0.45229933 0.11920579 0.83196355 0.42849489 0.11920579 0.66803645 0.42235990 0.98196676 0.06987277 0.59567334 0.98196676 0.43012723 0.57764010 0.01803324 0.93012723 0.40432666 0.01803324 0.56987277 0.53503022 0.52922018 0.11792886 0.93574961 0.52922018 0.38207114 0.46496978 0.47077982 0.88207114 0.06425039 0.47077982 0.61792886 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0.26447778 0.49769542 0.42383038 0.23552222 0.92152580 0.57616962 0.73552222 0.50230458 0.57616962 0.76447778 0.00501862 0.65885140 0.15752419 0.33612998 0.65885140 0.34247581 0.99498138 0.34114860 0.84247581 0.66387002 0.34114860 0.65752419 0.78845759 0.10309839 0.15483727 0.10844402 0.10309839 0.34516273 0.21154241 0.89690161 0.84516273 0.89155598 0.89690161 0.65483727 M6_341_750_noD2_0.02_e5_accurate 1 10.136983 0.000000 -0.121004 5.068492 3.616552 -0.060502 -4.052598 -0.000000 24.489244 Mg S O H 4 4 40 48 Direct configuration= 8 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05927375 0.88145249 0.25000000 0.94072625 0.11854751 0.75000000 0.42253607 0.89471897 0.12332264 0.68274497 0.89471897 0.37667736 0.57746393 0.10528103 0.87667736 0.31725503 0.10528103 0.62332264 0.18052067 0.18992930 0.13523336 0.62955002 0.18992930 0.36476664 0.81947933 0.81007070 0.86476664 0.37044998 0.81007070 0.63523336 0.54782677 0.88054497 0.16801623 0.57162825 0.88054497 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0.80375503 0.69001023 0.93168990 0.80375503 0.80998977 0.67384198 0.51439004 0.29924848 0.81176798 0.51439004 0.20075152 0.32615802 0.48560996 0.70075152 0.18823202 0.48560996 0.79924848 0.29060107 0.26719623 0.30064117 0.44220270 0.26719623 0.19935883 0.70939893 0.73280377 0.69935883 0.55779730 0.73280377 0.80064117 0.07842158 0.42389216 0.26443101 0.49768626 0.42389216 0.23556899 0.92157842 0.57610784 0.73556899 0.50231374 0.57610784 0.76443101 0.00497991 0.65891913 0.15752439 0.33610096 0.65891913 0.34247561 0.99502009 0.34108087 0.84247561 0.66389904 0.34108087 0.65752439 0.78848986 0.10313702 0.15488984 0.10837313 0.10313702 0.34511016 0.21151014 0.89686298 0.84511016 0.89162687 0.89686298 0.65488984 M6_341_750_noD2_0.02_e5_accurate 1 10.138898 0.000000 -0.123883 5.069449 3.616623 -0.061942 -4.060286 -0.000000 24.491967 Mg S O H 4 4 40 48 Direct configuration= 9 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05924572 0.88150855 0.25000000 0.94075428 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0.89681677 0.84504726 0.89171173 0.89681677 0.65495274 M6_341_750_noD2_0.02_e5_accurate 1 10.141078 0.000000 -0.125894 5.070539 3.616906 -0.062947 -4.065963 -0.000000 24.496405 Mg S O H 4 4 40 48 Direct configuration= 10 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05930098 0.88139803 0.25000000 0.94069902 0.11860197 0.75000000 0.42244679 0.89467994 0.12334180 0.68287327 0.89467994 0.37665820 0.57755321 0.10532006 0.87665820 0.31712673 0.10532006 0.62334180 0.18040005 0.19010435 0.13524692 0.62949559 0.19010435 0.36475308 0.81959995 0.80989565 0.86475308 0.37050441 0.80989565 0.63524692 0.54810228 0.88005574 0.16799324 0.57184197 0.88005574 0.33200676 0.45189772 0.11994426 0.83200676 0.42815803 0.11994426 0.66799324 0.42226099 0.98184855 0.06997587 0.59589045 0.98184855 0.43002413 0.57773901 0.01815145 0.93002413 0.40410955 0.01815145 0.56997587 0.53512850 0.52910200 0.11780014 0.93576951 0.52910200 0.38219986 0.46487150 0.47089800 0.88219986 0.06423049 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0.44296349 0.29053908 0.35677189 0.94296349 0.35268903 0.35677189 0.55703651 0.27953125 0.41375675 0.06679282 0.30671200 0.41375675 0.43320718 0.72046875 0.58624325 0.93320718 0.69328800 0.58624325 0.56679282 0.32486602 0.60280391 0.08925252 0.07233007 0.60280391 0.41074748 0.67513398 0.39719609 0.91074748 0.92766993 0.39719609 0.58925252 0.66660956 0.26213231 0.05131513 0.07125814 0.26213231 0.44868487 0.33339044 0.73786769 0.94868487 0.92874186 0.73786769 0.55131513 0.69144397 0.06781426 0.99606602 0.24074176 0.06781426 0.50393398 0.30855603 0.93218574 0.00393398 0.75925824 0.93218574 0.49606602 0.73571690 0.19593337 0.31003396 0.06834973 0.19593337 0.18996604 0.26428310 0.80406663 0.68996604 0.93165027 0.80406663 0.81003396 0.67398658 0.51418500 0.29928764 0.81182842 0.51418500 0.20071236 0.32601342 0.48581500 0.70071236 0.18817158 0.48581500 0.79928764 0.29045314 0.26727898 0.30059074 0.44226788 0.26727898 0.19940926 0.70954686 0.73272102 0.69940926 0.55773212 0.73272102 0.80059074 0.07827628 0.42403489 0.26431339 0.49768883 0.42403489 0.23568661 0.92172372 0.57596511 0.73568661 0.50231117 0.57596511 0.76431339 0.00492175 0.65901182 0.15751854 0.33606643 0.65901182 0.34248146 0.99507825 0.34098818 0.84248146 0.66393357 0.34098818 0.65751854 0.78855987 0.10320719 0.15499824 0.10823294 0.10320719 0.34500176 0.21144013 0.89679281 0.84500176 0.89176706 0.89679281 0.65499824 M6_341_750_noD2_0.02_e5_accurate 1 10.143321 0.000000 -0.127963 5.071661 3.617198 -0.063981 -4.071803 -0.000000 24.500971 Mg S O H 4 4 40 48 Direct configuration= 11 0.00000000 -0.00000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.05935782 0.88128435 0.25000000 0.94064218 0.11871565 0.75000000 0.42244301 0.89463243 0.12334795 0.68292456 0.89463243 0.37665205 0.57755699 0.10536757 0.87665205 0.31707544 0.10536757 0.62334795 0.18026088 0.19030502 0.13526254 0.62943409 0.19030502 0.36473746 0.81973912 0.80969498 0.86473746 0.37056591 0.80969498 0.63526254 0.54823047 0.87985931 0.16799448 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0.18994844 0.26414570 0.80421733 0.68994844 0.93163696 0.80421733 0.81005156 0.67404734 0.51410210 0.29930899 0.81185057 0.51410210 0.20069101 0.32595266 0.48589790 0.70069101 0.18814943 0.48589790 0.79930899 0.29039219 0.26731066 0.30056476 0.44229715 0.26731066 0.19943524 0.70960781 0.73268934 0.69943524 0.55770285 0.73268934 0.80056476 0.07819161 0.42410567 0.26425000 0.49770272 0.42410567 0.23575000 0.92180839 0.57589433 0.73575000 0.50229728 0.57589433 0.76425000 0.00490958 0.65902380 0.15751227 0.33606662 0.65902380 0.34248773 0.99509042 0.34097620 0.84248773 0.66393338 0.34097620 0.65751227 0.78859215 0.10323184 0.15504503 0.10817601 0.10323184 0.34495497 0.21140785 0.89676816 0.84495497 0.89182399 0.89676816 0.65504503 M6_341_750_noD2_0.02_e5_accurate 1 10.144257 0.000000 -0.129303 5.072129 3.617187 -0.064652 -4.075346 -0.000000 24.506477 Mg S O H 4 4 40 48 Direct configuration= 12 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.05947663 0.88104672 0.25000000 0.94052337 0.11895328 0.75000000 0.42244249 0.89459377 0.12334986 0.68296374 0.89459377 0.37665014 0.57755751 0.10540623 0.87665014 0.31703626 0.10540623 0.62334986 0.18027472 0.19032392 0.13528152 0.62940135 0.19032392 0.36471848 0.81972528 0.80967608 0.86471848 0.37059865 0.80967608 0.63528152 0.54825399 0.87980617 0.16800785 0.57193983 0.87980617 0.33199215 0.45174601 0.12019383 0.83199215 0.42806017 0.12019383 0.66800785 0.42221724 0.98171263 0.06998859 0.59607013 0.98171263 0.43001141 0.57778276 0.01828737 0.93001141 0.40392987 0.01828737 0.56998859 0.53525666 0.52879287 0.11772372 0.93595048 0.52879287 0.38227628 0.46474334 0.47120713 0.88227628 0.06404952 0.47120713 0.61772372 0.86803719 0.43764649 0.04730881 0.69431632 0.43764649 0.45269119 0.13196281 0.56235351 0.95269119 0.30568368 0.56235351 0.54730881 0.21290954 0.64824094 0.06711892 0.13884952 0.64824094 0.43288108 0.78709046 0.35175906 0.93288108 0.86115048 0.35175906 0.56711892 0.75992804 0.10284432 0.02072118 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0.39710622 0.58923589 0.66647062 0.26217095 0.05127720 0.07135843 0.26217095 0.44872280 0.33352938 0.73782905 0.94872280 0.92864157 0.73782905 0.55127720 0.69150690 0.06783779 0.99600589 0.24065531 0.06783779 0.50399411 0.30849310 0.93216221 0.00399411 0.75934469 0.93216221 0.49600589 0.73597801 0.19564403 0.31006036 0.06837795 0.19564403 0.18993964 0.26402199 0.80435597 0.68993964 0.93162205 0.80435597 0.81006036 0.67411774 0.51393145 0.29931987 0.81195081 0.51393145 0.20068013 0.32588226 0.48606855 0.70068013 0.18804919 0.48606855 0.79931987 0.29036658 0.26730555 0.30053849 0.44232787 0.26730555 0.19946151 0.70963342 0.73269445 0.69946151 0.55767213 0.73269445 0.80053849 0.07814119 0.42418151 0.26419465 0.49767730 0.42418151 0.23580535 0.92185881 0.57581849 0.73580535 0.50232270 0.57581849 0.76419465 0.00489362 0.65906186 0.15750879 0.33604452 0.65906186 0.34249121 0.99510638 0.34093814 0.84249121 0.66395548 0.34093814 0.65750879 0.78854848 0.10334264 0.15505483 0.10810889 0.10334264 0.34494517 0.21145152 0.89665736 0.84494517 0.89189111 0.89665736 0.65505483 M6_341_750_noD2_0.02_e5_accurate 1 10.145177 0.000000 -0.130620 5.072588 3.617176 -0.065310 -4.078828 -0.000000 24.511887 Mg S O H 4 4 40 48 Direct configuration= 13 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.05959336 0.88081327 0.25000000 0.94040664 0.11918673 0.75000000 0.42244197 0.89455580 0.12335174 0.68300224 0.89455580 0.37664826 0.57755803 0.10544420 0.87664826 0.31699776 0.10544420 0.62335174 0.18028833 0.19034249 0.13530016 0.62936918 0.19034249 0.36469984 0.81971167 0.80965751 0.86469984 0.37063082 0.80965751 0.63530016 0.54827710 0.87975396 0.16802099 0.57196893 0.87975396 0.33197901 0.45172290 0.12024604 0.83197901 0.42803107 0.12024604 0.66802099 0.42219167 0.98165510 0.06998282 0.59615323 0.98165510 0.43001718 0.57780833 0.01834490 0.93001718 0.40384677 0.01834490 0.56998282 0.53529888 0.52866863 0.11769546 0.93603250 0.52866863 0.38230454 0.46470112 0.47133137 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0.64753229 0.64293498 0.44298738 0.29046726 0.35706502 0.94298738 0.35246771 0.35706502 0.55701262 0.27962409 0.41363768 0.06676082 0.30673823 0.41363768 0.43323918 0.72037591 0.58636232 0.93323918 0.69326177 0.58636232 0.56676082 0.32475267 0.60291611 0.08922643 0.07233122 0.60291611 0.41077357 0.67524733 0.39708389 0.91077357 0.92766878 0.39708389 0.58922643 0.66641007 0.26219897 0.05126476 0.07139096 0.26219897 0.44873524 0.33358993 0.73780103 0.94873524 0.92860904 0.73780103 0.55126476 0.69154518 0.06784437 0.99598205 0.24061046 0.06784437 0.50401795 0.30845482 0.93215563 0.00401795 0.75938954 0.93215563 0.49598205 0.73609956 0.19550783 0.31006900 0.06839261 0.19550783 0.18993100 0.26390044 0.80449217 0.68993100 0.93160739 0.80449217 0.81006900 0.67418690 0.51376380 0.29933055 0.81204930 0.51376380 0.20066945 0.32581310 0.48623620 0.70066945 0.18795070 0.48623620 0.79933055 0.29034142 0.26730052 0.30051268 0.44235806 0.26730052 0.19948732 0.70965858 0.73269948 0.69948732 0.55764194 0.73269948 0.80051268 0.07809164 0.42425602 0.26414029 0.49765234 0.42425602 0.23585971 0.92190836 0.57574398 0.73585971 0.50234766 0.57574398 0.76414029 0.00487794 0.65909925 0.15750538 0.33602281 0.65909925 0.34249462 0.99512206 0.34090075 0.84249462 0.66397719 0.34090075 0.65750538 0.78850557 0.10345149 0.15506447 0.10804295 0.10345149 0.34493553 0.21149443 0.89654851 0.84493553 0.89195705 0.89654851 0.65506447 M6_341_750_noD2_0.02_e5_accurate 1 10.145688 0.000000 -0.131444 5.072844 3.616957 -0.065722 -4.080968 -0.000000 24.516356 Mg S O H 4 4 40 48 Direct configuration= 14 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.05971153 0.88057693 0.25000000 0.94028847 0.11942307 0.75000000 0.42246558 0.89451523 0.12334926 0.68301919 0.89451523 0.37665074 0.57753442 0.10548477 0.87665074 0.31698081 0.10548477 0.62334926 0.18037476 0.19025706 0.13531457 0.62936817 0.19025706 0.36468543 0.81962524 0.80974294 0.86468543 0.37063183 0.80974294 0.63531457 0.54823939 0.87975434 0.16802603 0.57200626 0.87975434 0.33197397 0.45176061 0.12024566 0.83197397 0.42799374 0.12024566 0.66802603 0.42215944 0.98160844 0.06998278 0.59623212 0.98160844 0.43001722 0.57784056 0.01839156 0.93001722 0.40376788 0.01839156 0.56998278 0.53530703 0.52862293 0.11767990 0.93607005 0.52862293 0.38232010 0.46469297 0.47137707 0.88232010 0.06392995 0.47137707 0.61767990 0.86804532 0.43750798 0.04730942 0.69444671 0.43750798 0.45269058 0.13195468 0.56249202 0.95269058 0.30555329 0.56249202 0.54730942 0.21298722 0.64816238 0.06707321 0.13885040 0.64816238 0.43292679 0.78701278 0.35183762 0.93292679 0.86114960 0.35183762 0.56707321 0.76005540 0.10259393 0.02071754 0.13735067 0.10259393 0.47928246 0.23994460 0.89740607 0.97928246 0.86264933 0.89740607 0.52071754 0.73551922 0.29301183 0.28177420 0.97146895 0.29301183 0.21822580 0.26448078 0.70698817 0.71822580 0.02853105 0.70698817 0.78177420 0.13952820 0.48693071 0.28037188 0.37354109 0.48693071 0.21962812 0.86047180 0.51306929 0.71962812 0.62645891 0.51306929 0.78037188 0.91499449 0.88545245 0.17920397 0.19955307 0.88545245 0.32079603 0.08500551 0.11454755 0.82079603 0.80044693 0.11454755 0.67920397 0.96650423 0.37601864 0.07971364 0.65747713 0.37601864 0.42028636 0.03349577 0.62398136 0.92028636 0.34252287 0.62398136 0.57971364 0.70955310 0.64284981 0.05700988 0.64759709 0.64284981 0.44299012 0.29044690 0.35715019 0.94299012 0.35240291 0.35715019 0.55700988 0.27963005 0.41364200 0.06675147 0.30672795 0.41364200 0.43324853 0.72036995 0.58635800 0.93324853 0.69327205 0.58635800 0.56675147 0.32475732 0.60291026 0.08922075 0.07233242 0.60291026 0.41077925 0.67524268 0.39708974 0.91077925 0.92766758 0.39708974 0.58922075 0.66641282 0.26214458 0.05124120 0.07144261 0.26214458 0.44875880 0.33358718 0.73785542 0.94875880 0.92855739 0.73785542 0.55124120 0.69157635 0.06783700 0.99595831 0.24058665 0.06783700 0.50404169 0.30842365 0.93216300 0.00404169 0.75941335 0.93216300 0.49595831 0.73621012 0.19538305 0.31007391 0.06840683 0.19538305 0.18992609 0.26378988 0.80461695 0.68992609 0.93159317 0.80461695 0.81007391 0.67422808 0.51367742 0.29934506 0.81209450 0.51367742 0.20065494 0.32577192 0.48632258 0.70065494 0.18790550 0.48632258 0.79934506 0.29032432 0.26728096 0.30048630 0.44239473 0.26728096 0.19951370 0.70967568 0.73271904 0.69951370 0.55760527 0.73271904 0.80048630 0.07804836 0.42429602 0.26408758 0.49765561 0.42429602 0.23591242 0.92195164 0.57570398 0.73591242 0.50234439 0.57570398 0.76408758 0.00486610 0.65913788 0.15750413 0.33599602 0.65913788 0.34249587 0.99513390 0.34086212 0.84249587 0.66400398 0.34086212 0.65750413 0.78849749 0.10348496 0.15507269 0.10801755 0.10348496 0.34492731 0.21150251 0.89651504 0.84492731 0.89198245 0.89651504 0.65507269 M6_341_750_noD2_0.02_e5_accurate 1 10.147221 0.000000 -0.133918 5.073610 3.616299 -0.066959 -4.087387 -0.000000 24.529762 Mg S O H 4 4 40 48 Direct configuration= 15 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06006607 0.87986784 0.25000000 0.93993393 0.12013216 0.75000000 0.42253641 0.89439352 0.12334181 0.68307007 0.89439352 0.37665819 0.57746359 0.10560648 0.87665819 0.31692993 0.10560648 0.62334181 0.18063407 0.19000076 0.13535779 0.62936516 0.19000076 0.36464221 0.81936593 0.80999924 0.86464221 0.37063484 0.80999924 0.63535779 0.54812626 0.87975549 0.16804116 0.57211824 0.87975549 0.33195884 0.45187374 0.12024451 0.83195884 0.42788176 0.12024451 0.66804116 0.42206275 0.98146843 0.06998266 0.59646881 0.98146843 0.43001734 0.57793725 0.01853157 0.93001734 0.40353119 0.01853157 0.56998266 0.53533148 0.52848584 0.11763325 0.93618269 0.52848584 0.38236675 0.46466852 0.47151416 0.88236675 0.06381731 0.47151416 0.61763325 0.86807998 0.43730073 0.04731711 0.69461929 0.43730073 0.45268289 0.13192002 0.56269927 0.95268289 0.30538071 0.56269927 0.54731711 0.21310168 0.64799191 0.06700742 0.13890640 0.64799191 0.43299258 0.78689832 0.35200809 0.93299258 0.86109360 0.35200809 0.56700742 0.76016802 0.10236689 0.02072710 0.13746508 0.10236689 0.47927290 0.23983198 0.89763311 0.97927290 0.86253492 0.89763311 0.52072710 0.73568732 0.29274183 0.28181151 0.97157086 0.29274183 0.21818849 0.26431268 0.70725817 0.71818849 0.02842914 0.70725817 0.78181151 0.13958665 0.48670458 0.28026264 0.37370876 0.48670458 0.21973736 0.86041335 0.51329542 0.71973736 0.62629124 0.51329542 0.78026264 0.91508437 0.88555399 0.17919556 0.19936164 0.88555399 0.32080444 0.08491563 0.11444601 0.82080444 0.80063836 0.11444601 0.67919556 0.96649393 0.37575647 0.07972277 0.65774960 0.37575647 0.42027723 0.03350607 0.62424353 0.92027723 0.34225040 0.62424353 0.57972277 0.70961421 0.64259428 0.05700168 0.64779151 0.64259428 0.44299832 0.29038579 0.35740572 0.94299832 0.35220849 0.35740572 0.55700168 0.27964794 0.41365495 0.06672344 0.30669711 0.41365495 0.43327656 0.72035206 0.58634505 0.93327656 0.69330289 0.58634505 0.56672344 0.32477130 0.60289269 0.08920369 0.07233601 0.60289269 0.41079631 0.67522870 0.39710731 0.91079631 0.92766399 0.39710731 0.58920369 0.66642105 0.26198139 0.05117052 0.07159756 0.26198139 0.44882948 0.33357895 0.73801861 0.94882948 0.92840244 0.73801861 0.55117052 0.69166986 0.06781490 0.99588712 0.24051524 0.06781490 0.50411288 0.30833014 0.93218510 0.00411288 0.75948476 0.93218510 0.49588712 0.73654181 0.19500870 0.31008863 0.06844950 0.19500870 0.18991137 0.26345819 0.80499130 0.68991137 0.93155050 0.80499130 0.81008863 0.67435162 0.51341826 0.29938858 0.81223011 0.51341826 0.20061142 0.32564838 0.48658174 0.70061142 0.18776989 0.48658174 0.79938858 0.29027301 0.26722225 0.30040718 0.44250474 0.26722225 0.19959282 0.70972699 0.73277775 0.69959282 0.55749526 0.73277775 0.80040718 0.07791852 0.42441603 0.26392946 0.49766545 0.42441603 0.23607054 0.92208148 0.57558397 0.73607054 0.50233455 0.57558397 0.76392946 0.00483057 0.65925378 0.15750038 0.33591565 0.65925378 0.34249962 0.99516943 0.34074622 0.84249962 0.66408435 0.34074622 0.65750038 0.78847327 0.10358539 0.15509734 0.10794135 0.10358539 0.34490266 0.21152673 0.89641461 0.84490266 0.89205865 0.89641461 0.65509734 M6_341_750_noD2_0.02_e5_accurate 1 10.147715 0.000000 -0.134716 5.073858 3.616087 -0.067358 -4.089459 -0.000000 24.534089 Mg S O H 4 4 40 48 Direct configuration= 16 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06018052 0.87963896 0.25000000 0.93981948 0.12036104 0.75000000 0.42255927 0.89435423 0.12333940 0.68308650 0.89435423 0.37666060 0.57744073 0.10564577 0.87666060 0.31691350 0.10564577 0.62333940 0.18071777 0.18991802 0.13537174 0.62936420 0.18991802 0.36462826 0.81928223 0.81008198 0.86462826 0.37063580 0.81008198 0.63537174 0.54808976 0.87975586 0.16804603 0.57215437 0.87975586 0.33195397 0.45191024 0.12024414 0.83195397 0.42784563 0.12024414 0.66804603 0.42203156 0.98142324 0.06998262 0.59654520 0.98142324 0.43001738 0.57796844 0.01857676 0.93001738 0.40345480 0.01857676 0.56998262 0.53533937 0.52844159 0.11761820 0.93621906 0.52844159 0.38238180 0.46466063 0.47155841 0.88238180 0.06378094 0.47155841 0.61761820 0.86809118 0.43723383 0.04731959 0.69467499 0.43723383 0.45268041 0.13190882 0.56276617 0.95268041 0.30532501 0.56276617 0.54731959 0.21313862 0.64793689 0.06698620 0.13892449 0.64793689 0.43301380 0.78686138 0.35206311 0.93301380 0.86107551 0.35206311 0.56698620 0.76020438 0.10229361 0.02073018 0.13750201 0.10229361 0.47926982 0.23979562 0.89770639 0.97926982 0.86249799 0.89770639 0.52073018 0.73574158 0.29265468 0.28182355 0.97160375 0.29265468 0.21817645 0.26425842 0.70734532 0.71817645 0.02839625 0.70734532 0.78182355 0.13960551 0.48663159 0.28022740 0.37376289 0.48663159 0.21977260 0.86039449 0.51336841 0.71977260 0.62623711 0.51336841 0.78022740 0.91511337 0.88558677 0.17919286 0.19929986 0.88558677 0.32080714 0.08488663 0.11441323 0.82080714 0.80070014 0.11441323 0.67919286 0.96649062 0.37567184 0.07972571 0.65783753 0.37567184 0.42027429 0.03350938 0.62432816 0.92027429 0.34216247 0.62432816 0.57972571 0.70963394 0.64251180 0.05699903 0.64785426 0.64251180 0.44300097 0.29036606 0.35748820 0.94300097 0.35214574 0.35748820 0.55699903 0.27965371 0.41365912 0.06671440 0.30668716 0.41365912 0.43328560 0.72034629 0.58634088 0.93328560 0.69331284 0.58634088 0.56671440 0.32477581 0.60288702 0.08919819 0.07233717 0.60288702 0.41080181 0.67522419 0.39711298 0.91080181 0.92766283 0.39711298 0.58919819 0.66642371 0.26192871 0.05114772 0.07164758 0.26192871 0.44885228 0.33357629 0.73807129 0.94885228 0.92835242 0.73807129 0.55114772 0.69170003 0.06780776 0.99586416 0.24049221 0.06780776 0.50413584 0.30829997 0.93219224 0.00413584 0.75950779 0.93219224 0.49586416 0.73664886 0.19488786 0.31009338 0.06846328 0.19488786 0.18990662 0.26335114 0.80511214 0.68990662 0.93153672 0.80511214 0.81009338 0.67439151 0.51333461 0.29940262 0.81227388 0.51333461 0.20059738 0.32560849 0.48666539 0.70059738 0.18772612 0.48666539 0.79940262 0.29025644 0.26720331 0.30038166 0.44254025 0.26720331 0.19961834 0.70974356 0.73279669 0.69961834 0.55745975 0.73279669 0.80038166 0.07787660 0.42445477 0.26387846 0.49766863 0.42445477 0.23612154 0.92212340 0.57554523 0.73612154 0.50233137 0.57554523 0.76387846 0.00481910 0.65929119 0.15749917 0.33588970 0.65929119 0.34250083 0.99518090 0.34070881 0.84250083 0.66411030 0.34070881 0.65749917 0.78846545 0.10361780 0.15510529 0.10791675 0.10361780 0.34489471 0.21153455 0.89638220 0.84489471 0.89208325 0.89638220 0.65510529 M6_341_750_noD2_0.02_e5_accurate 1 10.148816 0.000000 -0.135874 5.074408 3.615764 -0.067937 -4.092598 -0.000000 24.541894 Mg S O H 4 4 40 48 Direct configuration= 17 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06033579 0.87932842 0.25000000 0.93966421 0.12067158 0.75000000 0.42263395 0.89417410 0.12332682 0.68319195 0.89417410 0.37667318 0.57736605 0.10582590 0.87667318 0.31680805 0.10582590 0.62332682 0.18079717 0.18981712 0.13538398 0.62938570 0.18981712 0.36461602 0.81920283 0.81018288 0.86461602 0.37061430 0.81018288 0.63538398 0.54805508 0.87973803 0.16804431 0.57220688 0.87973803 0.33195569 0.45194492 0.12026197 0.83195569 0.42779312 0.12026197 0.66804431 0.42198847 0.98137606 0.06999522 0.59663547 0.98137606 0.43000478 0.57801153 0.01862394 0.93000478 0.40336453 0.01862394 0.56999522 0.53533425 0.52843428 0.11761229 0.93623148 0.52843428 0.38238771 0.46466575 0.47156572 0.88238771 0.06376852 0.47156572 0.61761229 0.86814843 0.43708684 0.04732830 0.69476473 0.43708684 0.45267170 0.13185157 0.56291316 0.95267170 0.30523527 0.56291316 0.54732830 0.21320927 0.64789314 0.06695466 0.13889759 0.64789314 0.43304534 0.78679073 0.35210686 0.93304534 0.86110241 0.35210686 0.56695466 0.76030610 0.10207434 0.02070227 0.13761955 0.10207434 0.47929773 0.23969390 0.89792566 0.97929773 0.86238045 0.89792566 0.52070227 0.73588801 0.29240285 0.28182065 0.97170915 0.29240285 0.21817935 0.26411199 0.70759715 0.71817935 0.02829085 0.70759715 0.78182065 0.13958580 0.48659494 0.28016740 0.37381926 0.48659494 0.21983260 0.86041420 0.51340506 0.71983260 0.62618074 0.51340506 0.78016740 0.91514022 0.88564390 0.17917785 0.19921588 0.88564390 0.32082215 0.08485978 0.11435610 0.82082215 0.80078412 0.11435610 0.67917785 0.96648901 0.37554402 0.07973848 0.65796697 0.37554402 0.42026152 0.03351099 0.62445598 0.92026152 0.34203303 0.62445598 0.57973848 0.70961380 0.64242558 0.05699950 0.64796062 0.64242558 0.44300050 0.29038620 0.35757442 0.94300050 0.35203938 0.35757442 0.55699950 0.27967588 0.41358441 0.06669643 0.30673971 0.41358441 0.43330357 0.72032412 0.58641559 0.93330357 0.69326029 0.58641559 0.56669643 0.32481648 0.60283884 0.08918523 0.07234468 0.60283884 0.41081477 0.67518352 0.39716116 0.91081477 0.92765532 0.39716116 0.58918523 0.66640954 0.26189027 0.05112273 0.07170019 0.26189027 0.44887727 0.33359046 0.73810973 0.94887727 0.92829981 0.73810973 0.55112273 0.69176245 0.06779130 0.99582668 0.24044625 0.06779130 0.50417332 0.30823755 0.93220870 0.00417332 0.75955375 0.93220870 0.49582668 0.73685598 0.19458132 0.31011241 0.06856271 0.19458132 0.18988759 0.26314402 0.80541868 0.68988759 0.93143729 0.80541868 0.81011241 0.67442877 0.51332181 0.29943632 0.81224942 0.51332181 0.20056368 0.32557123 0.48667819 0.70056368 0.18775058 0.48667819 0.79943632 0.29027575 0.26705419 0.30033353 0.44267007 0.26705419 0.19966647 0.70972425 0.73294581 0.69966647 0.55732993 0.73294581 0.80033353 0.07784207 0.42443832 0.26378536 0.49771961 0.42443832 0.23621464 0.92215793 0.57556168 0.73621464 0.50228039 0.57556168 0.76378536 0.00480300 0.65936969 0.15750225 0.33582731 0.65936969 0.34249775 0.99519700 0.34063031 0.84249775 0.66417269 0.34063031 0.65750225 0.78843210 0.10369850 0.15510794 0.10786940 0.10369850 0.34489206 0.21156790 0.89630150 0.84489206 0.89213060 0.89630150 0.65510794 M6_341_750_noD2_0.02_e5_accurate 1 10.149273 -0.000000 -0.136354 5.074637 3.615630 -0.068177 -4.093900 0.000000 24.545132 Mg S O H 4 4 40 48 Direct configuration= 18 -0.00000000 -0.00000000 -0.00000000 -0.00000000 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0.41082014 0.67516665 0.39718114 0.91082014 0.92765221 0.39718114 0.58917986 0.66640366 0.26187432 0.05111236 0.07172201 0.26187432 0.44888764 0.33359634 0.73812568 0.94888764 0.92827799 0.73812568 0.55111236 0.69178834 0.06778447 0.99581114 0.24042720 0.06778447 0.50418886 0.30821166 0.93221553 0.00418886 0.75957280 0.93221553 0.49581114 0.73694188 0.19445417 0.31012030 0.06860395 0.19445417 0.18987970 0.26305812 0.80554583 0.68987970 0.93139605 0.80554583 0.81012030 0.67444423 0.51331650 0.29945030 0.81223927 0.51331650 0.20054970 0.32555577 0.48668350 0.70054970 0.18776073 0.48668350 0.79945030 0.29028375 0.26699233 0.30031358 0.44272391 0.26699233 0.19968642 0.70971625 0.73300767 0.69968642 0.55727609 0.73300767 0.80031358 0.07782774 0.42443150 0.26374675 0.49774076 0.42443150 0.23625325 0.92217226 0.57556850 0.73625325 0.50225924 0.57556850 0.76374675 0.00479632 0.65940224 0.15750353 0.33580143 0.65940224 0.34249647 0.99520368 0.34059776 0.84249647 0.66419857 0.34059776 0.65750353 0.78841827 0.10373197 0.15510904 0.10784976 0.10373197 0.34489096 0.21158173 0.89626803 0.84489096 0.89215024 0.89626803 0.65510904 M6_341_750_noD2_0.02_e5_accurate 1 10.150348 -0.000000 -0.137073 5.075174 3.615228 -0.068537 -4.095986 0.000000 24.551683 Mg S O H 4 4 40 48 Direct configuration= 19 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06047297 0.87905406 0.25000000 0.93952703 0.12094594 0.75000000 0.42264371 0.89407815 0.12332673 0.68327814 0.89407815 0.37667327 0.57735629 0.10592185 0.87667327 0.31672186 0.10592185 0.62332673 0.18084296 0.18970637 0.13538251 0.62945067 0.18970637 0.36461749 0.81915704 0.81029363 0.86461749 0.37054933 0.81029363 0.63538251 0.54807810 0.87964267 0.16802843 0.57227921 0.87964267 0.33197157 0.45192190 0.12035733 0.83197157 0.42772079 0.12035733 0.66802843 0.42196094 0.98133441 0.07001708 0.59670465 0.98133441 0.42998292 0.57803906 0.01866559 0.92998292 0.40329535 0.01866559 0.57001708 0.53537678 0.52831220 0.11761831 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0.62462492 0.57976814 0.70961055 0.64226515 0.05700043 0.64812431 0.64226515 0.44299957 0.29038945 0.35773485 0.94299957 0.35187569 0.35773485 0.55700043 0.27968872 0.41351267 0.06667111 0.30679862 0.41351267 0.43332889 0.72031128 0.58648733 0.93332889 0.69320138 0.58648733 0.56667111 0.32490392 0.60273241 0.08916350 0.07236367 0.60273241 0.41083650 0.67509608 0.39726759 0.91083650 0.92763633 0.39726759 0.58916350 0.66645810 0.26174122 0.05107602 0.07180067 0.26174122 0.44892398 0.33354190 0.73825878 0.94892398 0.92819933 0.73825878 0.55107602 0.69182411 0.06774497 0.99576617 0.24043093 0.06774497 0.50423383 0.30817589 0.93225503 0.00423383 0.75956907 0.93225503 0.49576617 0.73716399 0.19411203 0.31012976 0.06872398 0.19411203 0.18987024 0.26283601 0.80588797 0.68987024 0.93127602 0.80588797 0.81012976 0.67451349 0.51322248 0.29947230 0.81226402 0.51322248 0.20052770 0.32548651 0.48677752 0.70052770 0.18773598 0.48677752 0.79947230 0.29028252 0.26683302 0.30025528 0.44288446 0.26683302 0.19974472 0.70971748 0.73316698 0.69974472 0.55711554 0.73316698 0.80025528 0.07785284 0.42433997 0.26365876 0.49780719 0.42433997 0.23634124 0.92214716 0.57566003 0.73634124 0.50219281 0.57566003 0.76365876 0.00480814 0.65942799 0.15750469 0.33576388 0.65942799 0.34249531 0.99519186 0.34057201 0.84249531 0.66423612 0.34057201 0.65750469 0.78835913 0.10384713 0.15509838 0.10779374 0.10384713 0.34490162 0.21164087 0.89615287 0.84490162 0.89220626 0.89615287 0.65509838 M6_341_750_noD2_0.02_e5_accurate 1 10.153574 -0.000000 -0.139233 5.076787 3.614021 -0.069616 -4.102245 0.000000 24.571337 Mg S O H 4 4 40 48 Direct configuration= 20 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06069132 0.87861735 0.25000000 0.93930868 0.12138265 0.75000000 0.42258005 0.89401446 0.12334211 0.68340549 0.89401446 0.37665789 0.57741995 0.10598554 0.87665789 0.31659451 0.10598554 0.62334211 0.18088153 0.18949965 0.13536290 0.62961881 0.18949965 0.36463710 0.81911847 0.81050035 0.86463710 0.37038119 0.81050035 0.63536290 0.54819032 0.87937876 0.16798292 0.57243090 0.87937876 0.33201708 0.45180968 0.12062124 0.83201708 0.42756910 0.12062124 0.66798292 0.42193195 0.98126816 0.07006698 0.59679989 0.98126816 0.42993302 0.57806805 0.01873184 0.92993302 0.40320011 0.01873184 0.57006698 0.53551079 0.52795498 0.11764372 0.93653424 0.52795498 0.38235628 0.46448921 0.47204502 0.88235628 0.06346576 0.47204502 0.61764372 0.86811998 0.43686714 0.04739085 0.69501289 0.43686714 0.45260915 0.13188002 0.56313286 0.95260915 0.30498711 0.56313286 0.54739085 0.21366615 0.64740944 0.06684035 0.13892440 0.64740944 0.43315965 0.78633385 0.35259056 0.93315965 0.86107560 0.35259056 0.56684035 0.76067002 0.10147224 0.02061884 0.13785774 0.10147224 0.47938116 0.23932998 0.89852776 0.97938116 0.86214226 0.89852776 0.52061884 0.73638976 0.29168365 0.28187612 0.97192660 0.29168365 0.21812388 0.26361024 0.70831635 0.71812388 0.02807340 0.70831635 0.78187612 0.13953953 0.48623119 0.27994403 0.37422928 0.48623119 0.22005597 0.86046047 0.51376881 0.72005597 0.62577072 0.51376881 0.77994403 0.91515045 0.88598613 0.17911347 0.19886342 0.88598613 0.32088653 0.08484955 0.11401387 0.82088653 0.80113658 0.11401387 0.67911347 0.96657214 0.37502726 0.07984123 0.65840060 0.37502726 0.42015877 0.03342786 0.62497274 0.92015877 0.34159940 0.62497274 0.57984123 0.70962586 0.64189110 0.05700263 0.64848304 0.64189110 0.44299737 0.29037414 0.35810890 0.94299737 0.35151696 0.35810890 0.55700263 0.27969965 0.41339039 0.06661752 0.30690996 0.41339039 0.43338248 0.72030035 0.58660961 0.93338248 0.69309004 0.58660961 0.56661752 0.32511565 0.60247304 0.08911444 0.07241131 0.60247304 0.41088556 0.67488435 0.39752696 0.91088556 0.92758869 0.39752696 0.58911444 0.66662144 0.26134188 0.05096700 0.07203668 0.26134188 0.44903300 0.33337856 0.73865812 0.94903300 0.92796332 0.73865812 0.55096700 0.69193140 0.06762646 0.99563131 0.24044214 0.06762646 0.50436869 0.30806860 0.93237354 0.00436869 0.75955786 0.93237354 0.49563131 0.73783037 0.19308548 0.31015813 0.06908415 0.19308548 0.18984187 0.26216963 0.80691452 0.68984187 0.93091585 0.80691452 0.81015813 0.67472130 0.51294039 0.29953827 0.81233831 0.51294039 0.20046173 0.32527870 0.48705961 0.70046173 0.18766169 0.48705961 0.79953827 0.29027886 0.26635502 0.30008042 0.44336612 0.26635502 0.19991958 0.70972114 0.73364498 0.69991958 0.55663388 0.73364498 0.80008042 0.07792813 0.42406533 0.26339483 0.49800653 0.42406533 0.23660517 0.92207187 0.57593467 0.73660517 0.50199347 0.57593467 0.76339483 0.00484357 0.65950522 0.15750817 0.33565121 0.65950522 0.34249183 0.99515643 0.34049478 0.84249183 0.66434879 0.34049478 0.65750817 0.78818170 0.10419265 0.15506643 0.10762565 0.10419265 0.34493357 0.21181830 0.89580735 0.84493357 0.89237435 0.89580735 0.65506643 M6_341_750_noD2_0.02_e5_accurate 1 10.154903 -0.000000 -0.140123 5.077452 3.613524 -0.070061 -4.104825 0.000000 24.579437 Mg S O H 4 4 40 48 Direct configuration= 21 -0.00000000 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0.35273452 0.93319091 0.86106381 0.35273452 0.56680909 0.76076948 0.10131417 0.02059665 0.13791634 0.10131417 0.47940335 0.23923052 0.89868583 0.97940335 0.86208366 0.89868583 0.52059665 0.73652611 0.29149356 0.28189362 0.97198034 0.29149356 0.21810638 0.26347389 0.70850644 0.71810638 0.02801966 0.70850644 0.78189362 0.13952777 0.48612342 0.27988273 0.37434881 0.48612342 0.22011727 0.86047223 0.51387658 0.72011727 0.62565119 0.51387658 0.77988273 0.91515013 0.88608463 0.17909551 0.19876524 0.88608463 0.32090449 0.08484987 0.11391537 0.82090449 0.80123476 0.11391537 0.67909551 0.96659809 0.37488386 0.07987132 0.65851805 0.37488386 0.42012868 0.03340191 0.62511614 0.92012868 0.34148195 0.62511614 0.57987132 0.70963222 0.64173689 0.05700353 0.64863089 0.64173689 0.44299647 0.29036778 0.35826311 0.94299647 0.35136911 0.35826311 0.55700353 0.27970416 0.41333997 0.06659545 0.30695586 0.41333997 0.43340455 0.72029584 0.58666003 0.93340455 0.69304414 0.58666003 0.56659545 0.32520292 0.60236610 0.08909423 0.07243098 0.60236610 0.41090577 0.67479708 0.39763390 0.91090577 0.92756902 0.39763390 0.58909423 0.66668878 0.26117723 0.05092210 0.07213398 0.26117723 0.44907790 0.33331122 0.73882277 0.94907790 0.92786602 0.73882277 0.55092210 0.69197561 0.06757760 0.99557577 0.24044679 0.06757760 0.50442423 0.30802439 0.93242240 0.00442423 0.75955321 0.93242240 0.49557577 0.73810507 0.19266225 0.31016982 0.06923268 0.19266225 0.18983018 0.26189493 0.80733775 0.68983018 0.93076732 0.80733775 0.81016982 0.67480697 0.51282409 0.29956544 0.81236894 0.51282409 0.20043456 0.32519303 0.48717591 0.70043456 0.18763106 0.48717591 0.79956544 0.29027738 0.26615795 0.30000840 0.44356466 0.26615795 0.19999160 0.70972262 0.73384205 0.69999160 0.55643534 0.73384205 0.80000840 0.07795916 0.42395211 0.26328614 0.49808873 0.42395211 0.23671386 0.92204084 0.57604789 0.73671386 0.50191127 0.57604789 0.76328614 0.00485816 0.65953706 0.15750961 0.33560478 0.65953706 0.34249039 0.99514184 0.34046294 0.84249039 0.66439522 0.34046294 0.65750961 0.78810855 0.10433510 0.15505327 0.10755635 0.10433510 0.34494673 0.21189145 0.89566490 0.84494673 0.89244365 0.89566490 0.65505327 M6_341_750_noD2_0.02_e5_accurate 1 10.155243 -0.000000 -0.140441 5.077622 3.613351 -0.070221 -4.105702 0.000000 24.581729 Mg S O H 4 4 40 48 Direct configuration= 22 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06079985 0.87840028 0.25000000 0.93920015 0.12159972 0.75000000 0.42256276 0.89396052 0.12334930 0.68347672 0.89396052 0.37665070 0.57743724 0.10603948 0.87665070 0.31652328 0.10603948 0.62334930 0.18088651 0.18940422 0.13535207 0.62970926 0.18940422 0.36464793 0.81911349 0.81059578 0.86464793 0.37029074 0.81059578 0.63535207 0.54825175 0.87923583 0.16795771 0.57251241 0.87923583 0.33204229 0.45174825 0.12076417 0.83204229 0.42748759 0.12076417 0.66795771 0.42191530 0.98123115 0.07009562 0.59685354 0.98123115 0.42990438 0.57808470 0.01876885 0.92990438 0.40314646 0.01876885 0.57009562 0.53558240 0.52776395 0.11765809 0.93665366 0.52776395 0.38234191 0.46441760 0.47223605 0.88234191 0.06334634 0.47223605 0.61765809 0.86811611 0.43678753 0.04741824 0.69509636 0.43678753 0.45258176 0.13188389 0.56321247 0.95258176 0.30490364 0.56321247 0.54741824 0.21384048 0.64721218 0.06679841 0.13894734 0.64721218 0.43320159 0.78615952 0.35278782 0.93320159 0.86105266 0.35278782 0.56679841 0.76079450 0.10125783 0.02058526 0.13794767 0.10125783 0.47941474 0.23920550 0.89874217 0.97941474 0.86205233 0.89874217 0.52058526 0.73656341 0.29143918 0.28190375 0.97199741 0.29143918 0.21809625 0.26343659 0.70856082 0.71809625 0.02800259 0.70856082 0.78190375 0.13952882 0.48607833 0.27986356 0.37439285 0.48607833 0.22013644 0.86047118 0.51392167 0.72013644 0.62560715 0.51392167 0.77986356 0.91514973 0.88611700 0.17909030 0.19873327 0.88611700 0.32090970 0.08485027 0.11388300 0.82090970 0.80126673 0.11388300 0.67909030 0.96659427 0.37484791 0.07987800 0.65855782 0.37484791 0.42012200 0.03340573 0.62515209 0.92012200 0.34144218 0.62515209 0.57987800 0.70962659 0.64169796 0.05700514 0.64867546 0.64169796 0.44299486 0.29037341 0.35830204 0.94299486 0.35132454 0.35830204 0.55700514 0.27970572 0.41333004 0.06658898 0.30696424 0.41333004 0.43341102 0.72029428 0.58666996 0.93341102 0.69303576 0.58666996 0.56658898 0.32523698 0.60232208 0.08908752 0.07244094 0.60232208 0.41091248 0.67476302 0.39767792 0.91091248 0.92755906 0.39767792 0.58908752 0.66671166 0.26112285 0.05090807 0.07216549 0.26112285 0.44909193 0.33328834 0.73887715 0.94909193 0.92783451 0.73887715 0.55090807 0.69199722 0.06756422 0.99556054 0.24043856 0.06756422 0.50443946 0.30800278 0.93243578 0.00443946 0.75956144 0.93243578 0.49556054 0.73819536 0.19253381 0.31017045 0.06927083 0.19253381 0.18982955 0.26180464 0.80746619 0.68982955 0.93072917 0.80746619 0.81017045 0.67484132 0.51276831 0.29957298 0.81239037 0.51276831 0.20042702 0.32515868 0.48723169 0.70042702 0.18760963 0.48723169 0.79957298 0.29027377 0.26609567 0.29998439 0.44363056 0.26609567 0.20001561 0.70972623 0.73390433 0.70001561 0.55636944 0.73390433 0.79998439 0.07797317 0.42390876 0.26325133 0.49811807 0.42390876 0.23674867 0.92202683 0.57609124 0.73674867 0.50188193 0.57609124 0.76325133 0.00486301 0.65954613 0.15750962 0.33559086 0.65954613 0.34249038 0.99513699 0.34045387 0.84249038 0.66440914 0.34045387 0.65750962 0.78808535 0.10438005 0.15504848 0.10753460 0.10438005 0.34495152 0.21191465 0.89561995 0.84495152 0.89246540 0.89561995 0.65504848 M6_341_750_noD2_0.02_e5_accurate 1 10.156264 -0.000000 -0.141398 5.078132 3.612832 -0.070699 -4.108334 0.000000 24.588606 Mg S O H 4 4 40 48 Direct configuration= 23 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06085539 0.87828922 0.25000000 0.93914461 0.12171078 0.75000000 0.42258957 0.89387747 0.12335186 0.68353296 0.89387747 0.37664814 0.57741043 0.10612253 0.87664814 0.31646704 0.10612253 0.62335186 0.18085370 0.18937362 0.13534382 0.62977267 0.18937362 0.36465618 0.81914630 0.81062638 0.86465618 0.37022733 0.81062638 0.63534382 0.54829726 0.87913342 0.16793828 0.57256931 0.87913342 0.33206172 0.45170274 0.12086658 0.83206172 0.42743069 0.12086658 0.66793828 0.42190116 0.98120209 0.07011990 0.59689676 0.98120209 0.42988010 0.57809884 0.01879791 0.92988010 0.40310324 0.01879791 0.57011990 0.53563146 0.52763265 0.11766980 0.93673590 0.52763265 0.38233020 0.46436854 0.47236735 0.88233020 0.06326410 0.47236735 0.61766980 0.86815285 0.43669596 0.04744581 0.69515120 0.43669596 0.45255419 0.13184715 0.56330404 0.95255419 0.30484880 0.56330404 0.54744581 0.21396697 0.64705225 0.06676637 0.13898078 0.64705225 0.43323363 0.78603303 0.35294775 0.93323363 0.86101922 0.35294775 0.56676637 0.76086956 0.10108879 0.02055112 0.13804166 0.10108879 0.47944888 0.23913044 0.89891121 0.97944888 0.86195834 0.89891121 0.52055112 0.73667534 0.29127603 0.28193414 0.97204864 0.29127603 0.21806586 0.26332466 0.70872397 0.71806586 0.02795136 0.70872397 0.78193414 0.13953197 0.48594307 0.27980606 0.37452497 0.48594307 0.22019394 0.86046803 0.51405693 0.72019394 0.62547503 0.51405693 0.77980606 0.91514850 0.88621412 0.17907468 0.19863738 0.88621412 0.32092532 0.08485150 0.11378588 0.82092532 0.80136262 0.11378588 0.67907468 0.96658282 0.37474003 0.07989801 0.65867715 0.37474003 0.42010199 0.03341718 0.62525997 0.92010199 0.34132285 0.62525997 0.57989801 0.70960971 0.64158114 0.05700996 0.64880915 0.64158114 0.44299004 0.29039029 0.35841886 0.94299004 0.35119085 0.35841886 0.55700996 0.27971039 0.41330025 0.06656956 0.30698935 0.41330025 0.43343044 0.72028961 0.58669975 0.93343044 0.69301065 0.58669975 0.56656956 0.32533918 0.60219000 0.08906737 0.07247082 0.60219000 0.41093263 0.67466082 0.39781000 0.91093263 0.92752918 0.39781000 0.58906737 0.66678029 0.26095969 0.05086596 0.07226002 0.26095969 0.44913404 0.33321971 0.73904031 0.94913404 0.92773998 0.73904031 0.55086596 0.69206203 0.06752410 0.99551486 0.24041387 0.06752410 0.50448514 0.30793797 0.93247590 0.00448514 0.75958613 0.93247590 0.49551486 0.73846623 0.19214847 0.31017234 0.06938530 0.19214847 0.18982766 0.26153377 0.80785153 0.68982766 0.93061470 0.80785153 0.81017234 0.67494438 0.51260095 0.29959560 0.81245467 0.51260095 0.20040440 0.32505562 0.48739905 0.70040440 0.18754533 0.48739905 0.79959560 0.29026292 0.26590883 0.29991235 0.44382826 0.26590883 0.20008765 0.70973708 0.73409117 0.70008765 0.55617174 0.73409117 0.79991235 0.07801519 0.42377871 0.26314688 0.49820610 0.42377871 0.23685312 0.92198481 0.57622129 0.73685312 0.50179390 0.57622129 0.76314688 0.00487756 0.65957335 0.15750964 0.33554909 0.65957335 0.34249036 0.99512244 0.34042665 0.84249036 0.66445091 0.34042665 0.65750964 0.78801576 0.10451489 0.15503411 0.10746935 0.10451489 0.34496589 0.21198424 0.89548511 0.84496589 0.89253065 0.89548511 0.65503411 M6_341_750_noD2_0.02_e5_accurate 1 10.158304 -0.000000 -0.143310 5.079152 3.611794 -0.071655 -4.113599 0.000000 24.602359 Mg S O H 4 4 40 48 Direct configuration= 24 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06096647 0.87806705 0.25000000 0.93903353 0.12193295 0.75000000 0.42264319 0.89371136 0.12335697 0.68364545 0.89371136 0.37664303 0.57735681 0.10628864 0.87664303 0.31635455 0.10628864 0.62335697 0.18078808 0.18931242 0.13532733 0.62989949 0.18931242 0.36467267 0.81921192 0.81068758 0.86467267 0.37010051 0.81068758 0.63532733 0.54838827 0.87892859 0.16789942 0.57268314 0.87892859 0.33210058 0.45161173 0.12107141 0.83210058 0.42731686 0.12107141 0.66789942 0.42187288 0.98114394 0.07016845 0.59698319 0.98114394 0.42983155 0.57812712 0.01885606 0.92983155 0.40301681 0.01885606 0.57016845 0.53572960 0.52737001 0.11769322 0.93690041 0.52737001 0.38230678 0.46427040 0.47262999 0.88230678 0.06309959 0.47262999 0.61769322 0.86822634 0.43651278 0.04750093 0.69526088 0.43651278 0.45249907 0.13177366 0.56348722 0.95249907 0.30473912 0.56348722 0.54750093 0.21421994 0.64673236 0.06670229 0.13904770 0.64673236 0.43329771 0.78578006 0.35326764 0.93329771 0.86095230 0.35326764 0.56670229 0.76101968 0.10075065 0.02048286 0.13822967 0.10075065 0.47951714 0.23898032 0.89924935 0.97951714 0.86177033 0.89924935 0.52048286 0.73689923 0.29094967 0.28199491 0.97215111 0.29094967 0.21800509 0.26310077 0.70905033 0.71800509 0.02784889 0.70905033 0.78199491 0.13953827 0.48567250 0.27969109 0.37478924 0.48567250 0.22030891 0.86046173 0.51432750 0.72030891 0.62521076 0.51432750 0.77969109 0.91514604 0.88640837 0.17904344 0.19844559 0.88640837 0.32095656 0.08485396 0.11359163 0.82095656 0.80155441 0.11359163 0.67904344 0.96655994 0.37452425 0.07993802 0.65891581 0.37452425 0.42006198 0.03344006 0.62547575 0.92006198 0.34108419 0.62547575 0.57993802 0.70957597 0.64134748 0.05701960 0.64907655 0.64134748 0.44298040 0.29042403 0.35865252 0.94298040 0.35092345 0.35865252 0.55701960 0.27971973 0.41324067 0.06653074 0.30703960 0.41324067 0.43346926 0.72028027 0.58675933 0.93346926 0.69296040 0.58675933 0.56653074 0.32554358 0.60192581 0.08902709 0.07253061 0.60192581 0.41097291 0.67445642 0.39807419 0.91097291 0.92746939 0.39807419 0.58902709 0.66691758 0.26063332 0.05078177 0.07244910 0.26063332 0.44921823 0.33308242 0.73936668 0.94921823 0.92755090 0.73936668 0.55078177 0.69219164 0.06744385 0.99542353 0.24036452 0.06744385 0.50457647 0.30780836 0.93255615 0.00457647 0.75963548 0.93255615 0.49542353 0.73900803 0.19137768 0.31017612 0.06961429 0.19137768 0.18982388 0.26099197 0.80862232 0.68982388 0.93038571 0.80862232 0.81017612 0.67515052 0.51226619 0.29964083 0.81258329 0.51226619 0.20035917 0.32484948 0.48773381 0.70035917 0.18741671 0.48773381 0.79964083 0.29024124 0.26553508 0.29976831 0.44422368 0.26553508 0.20023169 0.70975876 0.73446492 0.70023169 0.55577632 0.73446492 0.79976831 0.07809921 0.42351859 0.26293806 0.49838220 0.42351859 0.23706194 0.92190079 0.57648141 0.73706194 0.50161780 0.57648141 0.76293806 0.00490666 0.65962778 0.15750970 0.33546556 0.65962778 0.34249030 0.99509334 0.34037222 0.84249030 0.66453444 0.34037222 0.65750970 0.78787654 0.10478462 0.15500538 0.10733883 0.10478462 0.34499462 0.21212346 0.89521538 0.84499462 0.89266117 0.89521538 0.65500538 M6_341_750_noD2_0.02_e5_accurate 1 10.162386 -0.000000 -0.147135 5.081193 3.609719 -0.073568 -4.124127 0.000000 24.629865 Mg S O H 4 4 40 48 Direct configuration= 25 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06118869 0.87762260 0.25000000 0.93881131 0.12237740 0.75000000 0.42275051 0.89337903 0.12336719 0.68387046 0.89337903 0.37663281 0.57724949 0.10662097 0.87663281 0.31612954 0.10662097 0.62336719 0.18065689 0.18918996 0.13529433 0.63015313 0.18918996 0.36470567 0.81934311 0.81081004 0.86470567 0.36984687 0.81081004 0.63529433 0.54857033 0.87851880 0.16782176 0.57291086 0.87851880 0.33217824 0.45142967 0.12148120 0.83217824 0.42708914 0.12148120 0.66782176 0.42181638 0.98102761 0.07026547 0.59715601 0.98102761 0.42973453 0.57818362 0.01897239 0.92973453 0.40284399 0.01897239 0.57026547 0.53592597 0.52684458 0.11774003 0.93722946 0.52684458 0.38225997 0.46407403 0.47315542 0.88225997 0.06277054 0.47315542 0.61774003 0.86837342 0.43614633 0.04761111 0.69548025 0.43614633 0.45238889 0.13162658 0.56385367 0.95238889 0.30451975 0.56385367 0.54761111 0.21472591 0.64609238 0.06657424 0.13918172 0.64609238 0.43342576 0.78527409 0.35390762 0.93342576 0.86081828 0.35390762 0.56657424 0.76132000 0.10007418 0.02034640 0.13860582 0.10007418 0.47965360 0.23868000 0.89992582 0.97965360 0.86139418 0.89992582 0.52034640 0.73734710 0.29029678 0.28211639 0.97235613 0.29029678 0.21788361 0.26265290 0.70970322 0.71788361 0.02764387 0.70970322 0.78211639 0.13955093 0.48513120 0.27946126 0.37531787 0.48513120 0.22053874 0.86044907 0.51486880 0.72053874 0.62468213 0.51486880 0.77946126 0.91514099 0.88679700 0.17898101 0.19806201 0.88679700 0.32101899 0.08485901 0.11320300 0.82101899 0.80193799 0.11320300 0.67898101 0.96651433 0.37409256 0.08001798 0.65939311 0.37409256 0.41998202 0.03348567 0.62590744 0.91998202 0.34060689 0.62590744 0.58001798 0.70950863 0.64088003 0.05703884 0.64961134 0.64088003 0.44296116 0.29049137 0.35911997 0.94296116 0.35038866 0.35911997 0.55703884 0.27973842 0.41312146 0.06645314 0.30714012 0.41312146 0.43354686 0.72026158 0.58687854 0.93354686 0.69285988 0.58687854 0.56645314 0.32595242 0.60139727 0.08894659 0.07265031 0.60139727 0.41105341 0.67404758 0.39860273 0.91105341 0.92734969 0.39860273 0.58894659 0.66719220 0.25998040 0.05061349 0.07282740 0.25998040 0.44938651 0.33280780 0.74001960 0.94938651 0.92717260 0.74001960 0.55061349 0.69245079 0.06728329 0.99524097 0.24026592 0.06728329 0.50475903 0.30754921 0.93271671 0.00475903 0.75973408 0.93271671 0.49524097 0.74009178 0.18983567 0.31018371 0.07007256 0.18983567 0.18981629 0.25990822 0.81016433 0.68981629 0.92992744 0.81016433 0.81018371 0.67556292 0.51159647 0.29973123 0.81284061 0.51159647 0.20026877 0.32443708 0.48840353 0.70026877 0.18715939 0.48840353 0.79973123 0.29019798 0.26478737 0.29948037 0.44501465 0.26478737 0.20051963 0.70980202 0.73521263 0.70051963 0.55498535 0.73521263 0.79948037 0.07826724 0.42299818 0.26252062 0.49873458 0.42299818 0.23747938 0.92173276 0.57700182 0.73747938 0.50126542 0.57700182 0.76252062 0.00496482 0.65973668 0.15750982 0.33529850 0.65973668 0.34249018 0.99503518 0.34026332 0.84249018 0.66470150 0.34026332 0.65750982 0.78759802 0.10532423 0.15494795 0.10707774 0.10532423 0.34505205 0.21240198 0.89467577 0.84505205 0.89292226 0.89467577 0.65494795 M6_341_750_noD2_0.02_e5_accurate 1 10.160154 -0.000000 -0.145043 5.080077 3.610854 -0.072522 -4.118368 0.000000 24.614820 Mg S O H 4 4 40 48 Direct configuration= 26 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06106707 0.87786584 0.25000000 0.93893293 0.12213416 0.75000000 0.42269175 0.89356091 0.12336161 0.68374735 0.89356091 0.37663839 0.57730825 0.10643909 0.87663839 0.31625265 0.10643909 0.62336161 0.18072860 0.18925698 0.13531237 0.63001441 0.18925698 0.36468763 0.81927140 0.81074302 0.86468763 0.36998559 0.81074302 0.63531237 0.54847070 0.87874307 0.16786420 0.57278622 0.87874307 0.33213580 0.45152930 0.12125693 0.83213580 0.42721378 0.12125693 0.66786420 0.42184721 0.98109127 0.07021247 0.59706151 0.98109127 0.42978753 0.57815279 0.01890873 0.92978753 0.40293849 0.01890873 0.57021247 0.53581845 0.52713213 0.11771446 0.93704942 0.52713213 0.38228554 0.46418155 0.47286787 0.88228554 0.06295058 0.47286787 0.61771446 0.86829287 0.43634688 0.04755092 0.69536025 0.43634688 0.45244908 0.13170713 0.56365312 0.95244908 0.30463975 0.56365312 0.54755092 0.21444913 0.64644262 0.06664419 0.13910824 0.64644262 0.43335581 0.78555087 0.35355738 0.93335581 0.86089176 0.35355738 0.56664419 0.76115567 0.10044440 0.02042096 0.13839993 0.10044440 0.47957904 0.23884433 0.89955560 0.97957904 0.86160007 0.89955560 0.52042096 0.73710201 0.29065410 0.28205001 0.97224390 0.29065410 0.21794999 0.26289799 0.70934590 0.71794999 0.02775610 0.70934590 0.78205001 0.13954394 0.48542744 0.27958685 0.37502862 0.48542744 0.22041315 0.86045606 0.51457256 0.72041315 0.62497138 0.51457256 0.77958685 0.91514387 0.88658431 0.17901510 0.19827182 0.88658431 0.32098490 0.08485613 0.11341569 0.82098490 0.80172818 0.11341569 0.67901510 0.96653913 0.37432882 0.07997432 0.65913205 0.37432882 0.42002568 0.03346087 0.62567118 0.92002568 0.34086795 0.62567118 0.57997432 0.70954533 0.64113586 0.05702835 0.64931882 0.64113586 0.44297165 0.29045467 0.35886414 0.94297165 0.35068118 0.35886414 0.55702835 0.27972820 0.41318670 0.06649554 0.30708510 0.41318670 0.43350446 0.72027180 0.58681330 0.93350446 0.69291490 0.58681330 0.56649554 0.32572877 0.60168653 0.08899056 0.07258470 0.60168653 0.41100944 0.67427123 0.39831347 0.91100944 0.92741530 0.39831347 0.58899056 0.66704193 0.26033773 0.05070544 0.07262034 0.26033773 0.44929456 0.33295807 0.73966227 0.94929456 0.92737966 0.73966227 0.55070544 0.69230911 0.06737116 0.99534070 0.24031973 0.06737116 0.50465930 0.30769089 0.93262884 0.00465930 0.75968027 0.93262884 0.49534070 0.73949882 0.19067958 0.31017954 0.06982160 0.19067958 0.18982046 0.26050118 0.80932042 0.68982046 0.93017840 0.80932042 0.81017954 0.67533723 0.51196299 0.29968183 0.81269977 0.51196299 0.20031817 0.32466277 0.48803701 0.70031817 0.18730023 0.48803701 0.79968183 0.29022154 0.26519657 0.29963772 0.44458189 0.26519657 0.20036228 0.70977846 0.73480343 0.70036228 0.55541811 0.73480343 0.79963772 0.07817537 0.42328299 0.26274870 0.49854164 0.42328299 0.23725130 0.92182463 0.57671701 0.73725130 0.50145836 0.57671701 0.76274870 0.00493305 0.65967708 0.15750974 0.33538987 0.65967708 0.34249026 0.99506695 0.34032292 0.84249026 0.66461013 0.34032292 0.65750974 0.78775047 0.10502892 0.15497933 0.10722062 0.10502892 0.34502067 0.21224953 0.89497108 0.84502067 0.89277938 0.89497108 0.65497933 M6_341_750_noD2_0.02_e5_accurate 1 10.160143 -0.000000 -0.145332 5.080072 3.610656 -0.072666 -4.119041 0.000000 24.616407 Mg S O H 4 4 40 48 Direct configuration= 27 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06103198 0.87793604 0.25000000 0.93896802 0.12206396 0.75000000 0.42269375 0.89354065 0.12336062 0.68376560 0.89354065 0.37663938 0.57730625 0.10645935 0.87663938 0.31623440 0.10645935 0.62336062 0.18072876 0.18923790 0.13531048 0.63003332 0.18923790 0.36468952 0.81927124 0.81076210 0.86468952 0.36996668 0.81076210 0.63531048 0.54848530 0.87872961 0.16786448 0.57278508 0.87872961 0.33213552 0.45151470 0.12127039 0.83213552 0.42721492 0.12127039 0.66786448 0.42184340 0.98106128 0.07021864 0.59709533 0.98106128 0.42978136 0.57815660 0.01893872 0.92978136 0.40290467 0.01893872 0.57021864 0.53582791 0.52710651 0.11771547 0.93706559 0.52710651 0.38228453 0.46417209 0.47289349 0.88228453 0.06293441 0.47289349 0.61771547 0.86827936 0.43633792 0.04755460 0.69538272 0.43633792 0.45244540 0.13172064 0.56366208 0.95244540 0.30461728 0.56366208 0.54755460 0.21447103 0.64641933 0.06663171 0.13910964 0.64641933 0.43336829 0.78552897 0.35358067 0.93336829 0.86089036 0.35358067 0.56663171 0.76117366 0.10040621 0.02040842 0.13842014 0.10040621 0.47959158 0.23882634 0.89959379 0.97959158 0.86157986 0.89959379 0.52040842 0.73712657 0.29061199 0.28205434 0.97226145 0.29061199 0.21794566 0.26287343 0.70938801 0.71794566 0.02773855 0.70938801 0.78205434 0.13954496 0.48538468 0.27956760 0.37507036 0.48538468 0.22043240 0.86045504 0.51461532 0.72043240 0.62492964 0.51461532 0.77956760 0.91514449 0.88661800 0.17901370 0.19823750 0.88661800 0.32098630 0.08485551 0.11338200 0.82098630 0.80176250 0.11338200 0.67901370 0.96652950 0.37431511 0.07998439 0.65915539 0.37431511 0.42001561 0.03347050 0.62568489 0.92001561 0.34084461 0.62568489 0.57998439 0.70954981 0.64110225 0.05703576 0.64934794 0.64110225 0.44296424 0.29045019 0.35889775 0.94296424 0.35065206 0.35889775 0.55703576 0.27975075 0.41315688 0.06649478 0.30709236 0.41315688 0.43350522 0.72024925 0.58684312 0.93350522 0.69290764 0.58684312 0.56649478 0.32577717 0.60159830 0.08898143 0.07262453 0.60159830 0.41101857 0.67422283 0.39840170 0.91101857 0.92737547 0.39840170 0.58898143 0.66707270 0.26026602 0.05069219 0.07266127 0.26026602 0.44930781 0.33292730 0.73973398 0.94930781 0.92733873 0.73973398 0.55069219 0.69232645 0.06735341 0.99532796 0.24032014 0.06735341 0.50467204 0.30767355 0.93264659 0.00467204 0.75967986 0.93264659 0.49532796 0.73958133 0.19057107 0.31018377 0.06984760 0.19057107 0.18981623 0.26041867 0.80942893 0.68981623 0.93015240 0.80942893 0.81018377 0.67538173 0.51188326 0.29969069 0.81273501 0.51188326 0.20030931 0.32461827 0.48811674 0.70030931 0.18726499 0.48811674 0.79969069 0.29023471 0.26510699 0.29961917 0.44465830 0.26510699 0.20038083 0.70976529 0.73489301 0.70038083 0.55534170 0.73489301 0.79961917 0.07819688 0.42321175 0.26271841 0.49859136 0.42321175 0.23728159 0.92180312 0.57678825 0.73728159 0.50140864 0.57678825 0.76271841 0.00493383 0.65968210 0.15750710 0.33538407 0.65968210 0.34249290 0.99506617 0.34031790 0.84249290 0.66461593 0.34031790 0.65750710 0.78774592 0.10504193 0.15497617 0.10721215 0.10504193 0.34502383 0.21225408 0.89495807 0.84502383 0.89278785 0.89495807 0.65497617 M6_341_750_noD2_0.02_e5_accurate 1 10.160111 -0.000000 -0.146197 5.080056 3.610062 -0.073099 -4.121058 0.000000 24.621168 Mg S O H 4 4 40 48 Direct configuration= 28 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06092668 0.87814662 0.25000000 0.93907332 0.12185338 0.75000000 0.42269976 0.89347989 0.12335763 0.68382035 0.89347989 0.37664237 0.57730024 0.10652011 0.87664237 0.31617965 0.10652011 0.62335763 0.18072925 0.18918066 0.13530479 0.63009008 0.18918066 0.36469521 0.81927075 0.81081934 0.86469521 0.36990992 0.81081934 0.63530479 0.54852908 0.87868922 0.16786533 0.57278168 0.87868922 0.33213467 0.45147092 0.12131078 0.83213467 0.42721832 0.12131078 0.66786533 0.42183195 0.98097129 0.07023717 0.59719676 0.98097129 0.42976283 0.57816805 0.01902871 0.92976283 0.40280324 0.01902871 0.57023717 0.53585628 0.52702965 0.11771847 0.93711408 0.52702965 0.38228153 0.46414372 0.47297035 0.88228153 0.06288592 0.47297035 0.61771847 0.86823883 0.43631104 0.04756565 0.69545012 0.43631104 0.45243435 0.13176117 0.56368896 0.95243435 0.30454988 0.56368896 0.54756565 0.21453673 0.64634943 0.06659428 0.13911385 0.64634943 0.43340572 0.78546327 0.35365057 0.93340572 0.86088615 0.35365057 0.56659428 0.76122763 0.10029162 0.02037082 0.13848075 0.10029162 0.47962918 0.23877237 0.89970838 0.97962918 0.86151925 0.89970838 0.52037082 0.73720025 0.29048566 0.28206733 0.97231411 0.29048566 0.21793267 0.26279975 0.70951434 0.71793267 0.02768589 0.70951434 0.78206733 0.13954803 0.48525638 0.27950985 0.37519559 0.48525638 0.22049015 0.86045197 0.51474362 0.72049015 0.62480441 0.51474362 0.77950985 0.91514637 0.88671908 0.17900949 0.19813456 0.88671908 0.32099051 0.08485363 0.11328092 0.82099051 0.80186544 0.11328092 0.67900949 0.96650061 0.37427399 0.08001461 0.65922540 0.37427399 0.41998539 0.03349939 0.62572601 0.91998539 0.34077460 0.62572601 0.58001461 0.70956327 0.64100143 0.05705798 0.64943530 0.64100143 0.44294202 0.29043673 0.35899857 0.94294202 0.35056470 0.35899857 0.55705798 0.27981842 0.41306743 0.06649250 0.30711415 0.41306743 0.43350750 0.72018158 0.58693257 0.93350750 0.69288585 0.58693257 0.56649250 0.32592239 0.60133359 0.08895405 0.07274402 0.60133359 0.41104595 0.67407761 0.39866641 0.91104595 0.92725598 0.39866641 0.58895405 0.66716503 0.26005089 0.05065244 0.07278408 0.26005089 0.44934756 0.33283497 0.73994911 0.94934756 0.92721592 0.73994911 0.55065244 0.69237846 0.06730017 0.99528974 0.24032137 0.06730017 0.50471026 0.30762154 0.93269983 0.00471026 0.75967863 0.93269983 0.49528974 0.73982888 0.19024553 0.31019646 0.06992559 0.19024553 0.18980354 0.26017112 0.80975447 0.68980354 0.93007441 0.80975447 0.81019646 0.67551523 0.51164405 0.29971729 0.81284072 0.51164405 0.20028271 0.32448477 0.48835595 0.70028271 0.18715928 0.48835595 0.79971729 0.29027422 0.26483822 0.29956352 0.44488757 0.26483822 0.20043648 0.70972578 0.73516178 0.70043648 0.55511243 0.73516178 0.79956352 0.07826143 0.42299804 0.26262755 0.49874054 0.42299804 0.23737245 0.92173857 0.57700196 0.73737245 0.50125946 0.57700196 0.76262755 0.00493616 0.65969715 0.15749919 0.33536668 0.65969715 0.34250081 0.99506384 0.34030285 0.84250081 0.66463332 0.34030285 0.65749919 0.78773228 0.10508096 0.15496671 0.10718676 0.10508096 0.34503329 0.21226772 0.89491904 0.84503329 0.89281324 0.89491904 0.65496671 M6_341_750_noD2_0.02_e5_accurate 1 10.160048 -0.000000 -0.147929 5.080024 3.608873 -0.073964 -4.125091 0.000000 24.630689 Mg S O H 4 4 40 48 Direct configuration= 29 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06071606 0.87856787 0.25000000 0.93928394 0.12143213 0.75000000 0.42271180 0.89335834 0.12335166 0.68392986 0.89335834 0.37664834 0.57728820 0.10664166 0.87664834 0.31607014 0.10664166 0.62335166 0.18073021 0.18906617 0.13529340 0.63020361 0.18906617 0.36470660 0.81926979 0.81093383 0.86470660 0.36979639 0.81093383 0.63529340 0.54861666 0.87860844 0.16786704 0.57277489 0.87860844 0.33213296 0.45138334 0.12139156 0.83213296 0.42722511 0.12139156 0.66786704 0.42180908 0.98079127 0.07027419 0.59739965 0.98079127 0.42972581 0.57819092 0.01920873 0.92972581 0.40260035 0.01920873 0.57027419 0.53591303 0.52687590 0.11772448 0.93721107 0.52687590 0.38227552 0.46408697 0.47312410 0.88227552 0.06278893 0.47312410 0.61772448 0.86815778 0.43625728 0.04758775 0.69558495 0.43625728 0.45241225 0.13184222 0.56374272 0.95241225 0.30441505 0.56374272 0.54758775 0.21466812 0.64620961 0.06651945 0.13912227 0.64620961 0.43348055 0.78533188 0.35379039 0.93348055 0.86087773 0.35379039 0.56651945 0.76133558 0.10006242 0.02029564 0.13860200 0.10006242 0.47970436 0.23866442 0.89993758 0.97970436 0.86139800 0.89993758 0.52029564 0.73734762 0.29023295 0.28209330 0.97241943 0.29023295 0.21790670 0.26265238 0.70976705 0.71790670 0.02758057 0.70976705 0.78209330 0.13955416 0.48499975 0.27939437 0.37544608 0.48499975 0.22060563 0.86044584 0.51500025 0.72060563 0.62455392 0.51500025 0.77939437 0.91515010 0.88692126 0.17900109 0.19792864 0.88692126 0.32099891 0.08484990 0.11307874 0.82099891 0.80207136 0.11307874 0.67900109 0.96644284 0.37419174 0.08007504 0.65936542 0.37419174 0.41992496 0.03355716 0.62580826 0.91992496 0.34063458 0.62580826 0.58007504 0.70959020 0.64079975 0.05710240 0.64961005 0.64079975 0.44289760 0.29040980 0.35920025 0.94289760 0.35038995 0.35920025 0.55710240 0.27995378 0.41288850 0.06648795 0.30715772 0.41288850 0.43351205 0.72004622 0.58711150 0.93351205 0.69284228 0.58711150 0.56648795 0.32621286 0.60080409 0.08889930 0.07298305 0.60080409 0.41110070 0.67378714 0.39919591 0.91110070 0.92701695 0.39919591 0.58889930 0.66734970 0.25962055 0.05057296 0.07302974 0.25962055 0.44942704 0.33265030 0.74037945 0.94942704 0.92697026 0.74037945 0.55057296 0.69248248 0.06719368 0.99521333 0.24032385 0.06719368 0.50478667 0.30751752 0.93280632 0.00478667 0.75967615 0.93280632 0.49521333 0.74032405 0.18959433 0.31022184 0.07008162 0.18959433 0.18977816 0.25967595 0.81040567 0.68977816 0.92991838 0.81040567 0.81022184 0.67578227 0.51116554 0.29977047 0.81305219 0.51116554 0.20022953 0.32421773 0.48883446 0.70022953 0.18694781 0.48883446 0.79977047 0.29035326 0.26430059 0.29945224 0.44534615 0.26430059 0.20054776 0.70964674 0.73569941 0.70054776 0.55465385 0.73569941 0.79945224 0.07839053 0.42257053 0.26244587 0.49903894 0.42257053 0.23755413 0.92160947 0.57742947 0.73755413 0.50096106 0.57742947 0.76244587 0.00494084 0.65972726 0.15748336 0.33533190 0.65972726 0.34251664 0.99505916 0.34027274 0.84251664 0.66466810 0.34027274 0.65748336 0.78770499 0.10515904 0.15494778 0.10713597 0.10515904 0.34505222 0.21229501 0.89484096 0.84505222 0.89286403 0.89484096 0.65494778 M6_341_750_noD2_0.02_e5_accurate 1 10.159985 -0.000000 -0.148299 5.079992 3.608692 -0.074149 -4.125940 0.000000 24.632165 Mg S O H 4 4 40 48 Direct configuration= 30 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06067477 0.87865045 0.25000000 0.93932523 0.12134955 0.75000000 0.42272008 0.89334201 0.12335690 0.68393792 0.89334201 0.37664310 0.57727992 0.10665799 0.87664310 0.31606208 0.10665799 0.62335690 0.18072842 0.18905248 0.13529231 0.63021910 0.18905248 0.36470769 0.81927158 0.81094752 0.86470769 0.36978090 0.81094752 0.63529231 0.54862162 0.87860098 0.16786573 0.57277740 0.87860098 0.33213427 0.45137838 0.12139902 0.83213427 0.42722260 0.12139902 0.66786573 0.42180444 0.98076531 0.07027634 0.59743025 0.98076531 0.42972366 0.57819556 0.01923469 0.92972366 0.40256975 0.01923469 0.57027634 0.53592645 0.52683816 0.11772434 0.93723539 0.52683816 0.38227566 0.46407355 0.47316184 0.88227566 0.06276461 0.47316184 0.61772434 0.86815882 0.43623721 0.04759434 0.69560397 0.43623721 0.45240566 0.13184118 0.56376279 0.95240566 0.30439603 0.56376279 0.54759434 0.21469561 0.64617358 0.06650809 0.13913081 0.64617358 0.43349191 0.78530439 0.35382642 0.93349191 0.86086919 0.35382642 0.56650809 0.76135935 0.10002827 0.02028441 0.13861238 0.10002827 0.47971559 0.23864065 0.89997173 0.97971559 0.86138762 0.89997173 0.52028441 0.73737310 0.29017792 0.28209474 0.97244898 0.29017792 0.21790526 0.26262690 0.70982208 0.71790526 0.02755102 0.70982208 0.78209474 0.13956568 0.48493875 0.27937608 0.37549557 0.48493875 0.22062392 0.86043432 0.51506125 0.72062392 0.62450443 0.51506125 0.77937608 0.91516458 0.88692331 0.17899873 0.19791211 0.88692331 0.32100127 0.08483542 0.11307669 0.82100127 0.80208789 0.11307669 0.67899873 0.96642345 0.37418646 0.08008200 0.65939008 0.37418646 0.41991800 0.03357655 0.62581354 0.91991800 0.34060992 0.62581354 0.58008200 0.70958426 0.64078345 0.05711154 0.64963228 0.64078345 0.44288846 0.29041574 0.35921655 0.94288846 0.35036772 0.35921655 0.55711154 0.27997702 0.41286037 0.06648797 0.30716260 0.41286037 0.43351203 0.72002298 0.58713963 0.93351203 0.69283740 0.58713963 0.56648797 0.32626180 0.60071172 0.08888908 0.07302649 0.60071172 0.41111092 0.67373820 0.39928828 0.91111092 0.92697351 0.39928828 0.58888908 0.66738018 0.25954792 0.05056082 0.07307190 0.25954792 0.44943918 0.33261982 0.74045208 0.94943918 0.92692810 0.74045208 0.55056082 0.69249287 0.06717078 0.99519894 0.24033635 0.06717078 0.50480106 0.30750713 0.93282922 0.00480106 0.75966365 0.93282922 0.49519894 0.74040526 0.18948662 0.31022748 0.07010812 0.18948662 0.18977252 0.25959474 0.81051338 0.68977252 0.92989188 0.81051338 0.81022748 0.67582254 0.51110245 0.29978098 0.81307501 0.51110245 0.20021902 0.32417746 0.48889755 0.70021902 0.18692499 0.48889755 0.79978098 0.29036110 0.26422106 0.29943394 0.44541784 0.26422106 0.20056606 0.70963890 0.73577894 0.70056606 0.55458216 0.73577894 0.79943394 0.07841335 0.42249514 0.26241695 0.49909151 0.42249514 0.23758305 0.92158665 0.57750486 0.73758305 0.50090849 0.57750486 0.76241695 0.00493450 0.65974848 0.15748261 0.33531702 0.65974848 0.34251739 0.99506550 0.34025152 0.84251739 0.66468298 0.34025152 0.65748261 0.78769916 0.10517535 0.15494457 0.10712549 0.10517535 0.34505543 0.21230084 0.89482465 0.84505543 0.89287451 0.89482465 0.65494457 M6_341_750_noD2_0.02_e5_accurate 1 10.159794 -0.000000 -0.149408 5.079897 3.608150 -0.074704 -4.128488 0.000000 24.636592 Mg S O H 4 4 40 48 Direct configuration= 31 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06055089 0.87889822 0.25000000 0.93944911 0.12110178 0.75000000 0.42274492 0.89329299 0.12337261 0.68396209 0.89329299 0.37662739 0.57725508 0.10670701 0.87662739 0.31603791 0.10670701 0.62337261 0.18072302 0.18901141 0.13528902 0.63026556 0.18901141 0.36471098 0.81927698 0.81098859 0.86471098 0.36973444 0.81098859 0.63528902 0.54863650 0.87857858 0.16786181 0.57278492 0.87857858 0.33213819 0.45136350 0.12142142 0.83213819 0.42721508 0.12142142 0.66786181 0.42179053 0.98068742 0.07028279 0.59752205 0.98068742 0.42971721 0.57820947 0.01931258 0.92971721 0.40247795 0.01931258 0.57028279 0.53596672 0.52672494 0.11772391 0.93730835 0.52672494 0.38227609 0.46403328 0.47327506 0.88227609 0.06269165 0.47327506 0.61772391 0.86816197 0.43617701 0.04761409 0.69566103 0.43617701 0.45238591 0.13183803 0.56382299 0.95238591 0.30433897 0.56382299 0.54761409 0.21477807 0.64606551 0.06647401 0.13915642 0.64606551 0.43352599 0.78522193 0.35393449 0.93352599 0.86084358 0.35393449 0.56647401 0.76143064 0.09992583 0.02025074 0.13864353 0.09992583 0.47974926 0.23856936 0.90007417 0.97974926 0.86135647 0.90007417 0.52025074 0.73744955 0.29001283 0.28209908 0.97253763 0.29001283 0.21790092 0.26255045 0.70998717 0.71790092 0.02746237 0.70998717 0.78209908 0.13960022 0.48475574 0.27932122 0.37564404 0.48475574 0.22067878 0.86039978 0.51524426 0.72067878 0.62435596 0.51524426 0.77932122 0.91520803 0.88692946 0.17899165 0.19786251 0.88692946 0.32100835 0.08479197 0.11307054 0.82100835 0.80213749 0.11307054 0.67899165 0.96636531 0.37417061 0.08010285 0.65946408 0.37417061 0.41989715 0.03363469 0.62582939 0.91989715 0.34053592 0.62582939 0.58010285 0.70956645 0.64073456 0.05713896 0.64969899 0.64073456 0.44286104 0.29043355 0.35926544 0.94286104 0.35030101 0.35926544 0.55713896 0.28004677 0.41277599 0.06648806 0.30717725 0.41277599 0.43351194 0.71995323 0.58722401 0.93351194 0.69282275 0.58722401 0.56648806 0.32640861 0.60043460 0.08885843 0.07315679 0.60043460 0.41114157 0.67359139 0.39956540 0.91114157 0.92684321 0.39956540 0.58885843 0.66747160 0.25933002 0.05052441 0.07319838 0.25933002 0.44947559 0.33252840 0.74066998 0.94947559 0.92680162 0.74066998 0.55052441 0.69252405 0.06710211 0.99515577 0.24037384 0.06710211 0.50484423 0.30747595 0.93289789 0.00484423 0.75962616 0.93289789 0.49515577 0.74064890 0.18916347 0.31024443 0.07018763 0.18916347 0.18975557 0.25935110 0.81083653 0.68975557 0.92981237 0.81083653 0.81024443 0.67594335 0.51091318 0.29981251 0.81314347 0.51091318 0.20018749 0.32405665 0.48908682 0.70018749 0.18685653 0.48908682 0.79981251 0.29038459 0.26398248 0.29937903 0.44563293 0.26398248 0.20062097 0.70961541 0.73601752 0.70062097 0.55436707 0.73601752 0.79937903 0.07848181 0.42226897 0.26233018 0.49924922 0.42226897 0.23766982 0.92151819 0.57773103 0.73766982 0.50075078 0.57773103 0.76233018 0.00491547 0.65981214 0.15748038 0.33527238 0.65981214 0.34251962 0.99508453 0.34018786 0.84251962 0.66472762 0.34018786 0.65748038 0.78768168 0.10522428 0.15493494 0.10709404 0.10522428 0.34506506 0.21231832 0.89477572 0.84506506 0.89290596 0.89477572 0.65493494 M6_341_750_noD2_0.02_e5_accurate 1 10.159412 -0.000000 -0.151627 5.079706 3.607065 -0.075814 -4.133584 0.000000 24.645446 Mg S O H 4 4 40 48 Direct configuration= 32 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06030308 0.87939383 0.25000000 0.93969692 0.12060617 0.75000000 0.42279461 0.89319495 0.12340402 0.68401045 0.89319495 0.37659598 0.57720539 0.10680505 0.87659598 0.31598955 0.10680505 0.62340402 0.18071224 0.18892925 0.13528244 0.63035850 0.18892925 0.36471756 0.81928776 0.81107075 0.86471756 0.36964150 0.81107075 0.63528244 0.54866626 0.87853377 0.16785397 0.57279996 0.87853377 0.33214603 0.45133374 0.12146623 0.83214603 0.42720004 0.12146623 0.66785397 0.42176271 0.98053163 0.07029567 0.59770566 0.98053163 0.42970433 0.57823729 0.01946837 0.92970433 0.40229434 0.01946837 0.57029567 0.53604727 0.52649845 0.11772304 0.93745429 0.52649845 0.38227696 0.46395273 0.47350155 0.88227696 0.06254571 0.47350155 0.61772304 0.86816827 0.43605658 0.04765358 0.69577516 0.43605658 0.45234642 0.13183173 0.56394342 0.95234642 0.30422484 0.56394342 0.54765358 0.21494301 0.64584932 0.06640587 0.13920767 0.64584932 0.43359413 0.78505699 0.35415068 0.93359413 0.86079233 0.35415068 0.56640587 0.76157324 0.09972092 0.02018342 0.13870584 0.09972092 0.47981658 0.23842676 0.90027908 0.97981658 0.86129416 0.90027908 0.52018342 0.73760246 0.28968260 0.28210776 0.97271495 0.28968260 0.21789224 0.26239754 0.71031740 0.71789224 0.02728505 0.71031740 0.78210776 0.13966931 0.48438967 0.27921151 0.37594102 0.48438967 0.22078849 0.86033069 0.51561033 0.72078849 0.62405898 0.51561033 0.77921151 0.91529492 0.88694175 0.17897751 0.19776332 0.88694175 0.32102249 0.08470508 0.11305825 0.82102249 0.80223668 0.11305825 0.67897751 0.96624902 0.37413890 0.08014453 0.65961208 0.37413890 0.41985547 0.03375098 0.62586110 0.91985547 0.34038792 0.62586110 0.58014453 0.70953083 0.64063676 0.05719377 0.64983241 0.64063676 0.44280623 0.29046917 0.35936324 0.94280623 0.35016759 0.35936324 0.55719377 0.28018627 0.41260719 0.06648823 0.30720654 0.41260719 0.43351177 0.71981373 0.58739281 0.93351177 0.69279346 0.58739281 0.56648823 0.32670227 0.59988028 0.08879713 0.07341745 0.59988028 0.41120287 0.67329773 0.40011972 0.91120287 0.92658255 0.40011972 0.58879713 0.66765447 0.25889415 0.05045161 0.07345138 0.25889415 0.44954839 0.33234553 0.74110585 0.94954839 0.92654862 0.74110585 0.55045161 0.69258641 0.06696473 0.99506944 0.24044886 0.06696473 0.50493056 0.30741359 0.93303527 0.00493056 0.75955114 0.93303527 0.49506944 0.74113624 0.18851706 0.31027832 0.07034670 0.18851706 0.18972168 0.25886376 0.81148294 0.68972168 0.92965330 0.81148294 0.81027832 0.67618502 0.51053457 0.29987557 0.81328041 0.51053457 0.20012443 0.32381498 0.48946543 0.70012443 0.18671959 0.48946543 0.79987557 0.29043158 0.26350524 0.29926924 0.44606317 0.26350524 0.20073076 0.70956842 0.73649476 0.70073076 0.55393683 0.73649476 0.79926924 0.07861874 0.42181654 0.26215668 0.49956472 0.42181654 0.23784332 0.92138126 0.57818346 0.73784332 0.50043528 0.57818346 0.76215668 0.00487742 0.65993948 0.15747591 0.33518309 0.65993948 0.34252409 0.99512258 0.34006052 0.84252409 0.66481691 0.34006052 0.65747591 0.78764669 0.10532216 0.15491568 0.10703114 0.10532216 0.34508432 0.21235331 0.89467784 0.84508432 0.89296886 0.89467784 0.65491568 M6_341_750_noD2_0.02_e5_accurate 1 10.159382 -0.000000 -0.151833 5.079691 3.607082 -0.075916 -4.134065 0.000000 24.645741 Mg S O H 4 4 40 48 Direct configuration= 33 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06030881 0.87938237 0.25000000 0.93969119 0.12061763 0.75000000 0.42278282 0.89319372 0.12340218 0.68402346 0.89319372 0.37659782 0.57721718 0.10680628 0.87659782 0.31597654 0.10680628 0.62340218 0.18071310 0.18893665 0.13528752 0.63035024 0.18893665 0.36471248 0.81928690 0.81106335 0.86471248 0.36964976 0.81106335 0.63528752 0.54866883 0.87853121 0.16785649 0.57279994 0.87853121 0.33214351 0.45133117 0.12146879 0.83214351 0.42720006 0.12146879 0.66785649 0.42176281 0.98053447 0.07029297 0.59770272 0.98053447 0.42970703 0.57823719 0.01946553 0.92970703 0.40229728 0.01946553 0.57029297 0.53606796 0.52645718 0.11772324 0.93747487 0.52645718 0.38227676 0.46393204 0.47354282 0.88227676 0.06252513 0.47354282 0.61772324 0.86816109 0.43607471 0.04766114 0.69576420 0.43607471 0.45233886 0.13183891 0.56392529 0.95233886 0.30423580 0.56392529 0.54766114 0.21497265 0.64578976 0.06640697 0.13923759 0.64578976 0.43359303 0.78502735 0.35421024 0.93359303 0.86076241 0.35421024 0.56640697 0.76157979 0.09970953 0.02017810 0.13871068 0.09970953 0.47982190 0.23842021 0.90029047 0.97982190 0.86128932 0.90029047 0.52017810 0.73759926 0.28967173 0.28210835 0.97272903 0.28967173 0.21789165 0.26240074 0.71032827 0.71789165 0.02727097 0.71032827 0.78210835 0.13969587 0.48432688 0.27920676 0.37597725 0.48432688 0.22079324 0.86030413 0.51567312 0.72079324 0.62402275 0.51567312 0.77920676 0.91530050 0.88693374 0.17897480 0.19776577 0.88693374 0.32102520 0.08469950 0.11306626 0.82102520 0.80223423 0.11306626 0.67897480 0.96624584 0.37413388 0.08014367 0.65962028 0.37413388 0.41985633 0.03375416 0.62586612 0.91985633 0.34037972 0.62586612 0.58014367 0.70951242 0.64065848 0.05719818 0.64982910 0.64065848 0.44280182 0.29048758 0.35934152 0.94280182 0.35017090 0.35934152 0.55719818 0.28019031 0.41258729 0.06648772 0.30722240 0.41258729 0.43351228 0.71980969 0.58741271 0.93351228 0.69277760 0.58741271 0.56648772 0.32672213 0.59985988 0.08879251 0.07341799 0.59985988 0.41120749 0.67327787 0.40014012 0.91120749 0.92658201 0.40014012 0.58879251 0.66765929 0.25887941 0.05045292 0.07346131 0.25887941 0.44954708 0.33234071 0.74112059 0.94954708 0.92653869 0.74112059 0.55045292 0.69258662 0.06694503 0.99506353 0.24046835 0.06694503 0.50493647 0.30741338 0.93305497 0.00493647 0.75953165 0.93305497 0.49506353 0.74116047 0.18847719 0.31028202 0.07036234 0.18847719 0.18971798 0.25883953 0.81152281 0.68971798 0.92963766 0.81152281 0.81028202 0.67618916 0.51054063 0.29987915 0.81327021 0.51054063 0.20012085 0.32381084 0.48945937 0.70012085 0.18672979 0.48945937 0.79987915 0.29041857 0.26351524 0.29926425 0.44606620 0.26351524 0.20073575 0.70958143 0.73648476 0.70073575 0.55393380 0.73648476 0.79926425 0.07862800 0.42178919 0.26215150 0.49958281 0.42178919 0.23784850 0.92137200 0.57821081 0.73784850 0.50041719 0.57821081 0.76215150 0.00488169 0.65993160 0.15747738 0.33518670 0.65993160 0.34252262 0.99511831 0.34006840 0.84252262 0.66481330 0.34006840 0.65747738 0.78764843 0.10532476 0.15491720 0.10702681 0.10532476 0.34508280 0.21235157 0.89467524 0.84508280 0.89297319 0.89467524 0.65491720 M6_341_750_noD2_0.02_e5_accurate 1 10.159290 -0.000000 -0.152448 5.079645 3.607132 -0.076224 -4.135508 0.000000 24.646628 Mg S O H 4 4 40 48 Direct configuration= 34 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06032599 0.87934802 0.25000000 0.93967401 0.12065198 0.75000000 0.42274747 0.89319004 0.12339666 0.68406248 0.89319004 0.37660334 0.57725253 0.10680996 0.87660334 0.31593752 0.10680996 0.62339666 0.18071567 0.18895885 0.13530277 0.63032547 0.18895885 0.36469723 0.81928433 0.81104115 0.86469723 0.36967453 0.81104115 0.63530277 0.54867656 0.87852355 0.16786407 0.57279988 0.87852355 0.33213593 0.45132344 0.12147645 0.83213593 0.42720012 0.12147645 0.66786407 0.42176310 0.98054300 0.07028487 0.59769390 0.98054300 0.42971513 0.57823690 0.01945700 0.92971513 0.40230610 0.01945700 0.57028487 0.53613002 0.52633337 0.11772384 0.93753662 0.52633337 0.38227616 0.46386998 0.47366663 0.88227616 0.06246338 0.47366663 0.61772384 0.86813958 0.43612909 0.04768382 0.69573133 0.43612909 0.45231618 0.13186042 0.56387091 0.95231618 0.30426867 0.56387091 0.54768382 0.21506156 0.64561109 0.06641029 0.13932736 0.64561109 0.43358971 0.78493844 0.35438891 0.93358971 0.86067264 0.35438891 0.56641029 0.76159944 0.09967538 0.02016215 0.13872518 0.09967538 0.47983785 0.23840056 0.90032462 0.97983785 0.86127482 0.90032462 0.52016215 0.73758966 0.28963911 0.28211009 0.97277125 0.28963911 0.21788991 0.26241034 0.71036089 0.71788991 0.02722875 0.71036089 0.78211009 0.13977556 0.48413851 0.27919253 0.37608593 0.48413851 0.22080747 0.86022444 0.51586149 0.72080747 0.62391407 0.51586149 0.77919253 0.91531721 0.88690969 0.17896666 0.19777310 0.88690969 0.32103334 0.08468279 0.11309031 0.82103334 0.80222690 0.11309031 0.67896666 0.96623630 0.37411882 0.08014111 0.65964488 0.37411882 0.41985889 0.03376370 0.62588118 0.91985889 0.34035512 0.62588118 0.58014111 0.70945720 0.64072366 0.05721141 0.64981914 0.64072366 0.44278859 0.29054280 0.35927634 0.94278859 0.35018086 0.35927634 0.55721141 0.28020242 0.41252759 0.06648620 0.30726999 0.41252759 0.43351380 0.71979758 0.58747241 0.93351380 0.69273001 0.58747241 0.56648620 0.32678173 0.59979868 0.08877865 0.07341959 0.59979868 0.41122135 0.67321827 0.40020132 0.91122135 0.92658041 0.40020132 0.58877865 0.66767374 0.25883516 0.05045685 0.07349110 0.25883516 0.44954315 0.33232626 0.74116484 0.94954315 0.92650890 0.74116484 0.55045685 0.69258724 0.06688594 0.99504581 0.24052682 0.06688594 0.50495419 0.30741276 0.93311406 0.00495419 0.75947318 0.93311406 0.49504581 0.74123318 0.18835756 0.31029313 0.07040926 0.18835756 0.18970687 0.25876682 0.81164244 0.68970687 0.92959074 0.81164244 0.81029313 0.67620160 0.51055880 0.29988990 0.81323960 0.51055880 0.20011010 0.32379840 0.48944120 0.70011010 0.18676040 0.48944120 0.79988990 0.29037952 0.26354521 0.29924927 0.44607527 0.26354521 0.20075073 0.70962048 0.73645479 0.70075073 0.55392473 0.73645479 0.79924927 0.07865580 0.42170714 0.26213597 0.49963706 0.42170714 0.23786403 0.92134420 0.57829286 0.73786403 0.50036294 0.57829286 0.76213597 0.00489451 0.65990796 0.15748181 0.33519754 0.65990796 0.34251819 0.99510549 0.34009204 0.84251819 0.66480246 0.34009204 0.65748181 0.78765364 0.10533255 0.15492173 0.10701381 0.10533255 0.34507827 0.21234636 0.89466745 0.84507827 0.89298619 0.89466745 0.65492173 M6_341_750_noD2_0.02_e5_accurate 1 10.159262 -0.000000 -0.152637 5.079631 3.607148 -0.076318 -4.135950 0.000000 24.646900 Mg S O H 4 4 40 48 Direct configuration= 35 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06033125 0.87933749 0.25000000 0.93966875 0.12066251 0.75000000 0.42273664 0.89318892 0.12339497 0.68407445 0.89318892 0.37660503 0.57726336 0.10681108 0.87660503 0.31592555 0.10681108 0.62339497 0.18071646 0.18896565 0.13530744 0.63031788 0.18896565 0.36469256 0.81928354 0.81103435 0.86469256 0.36968212 0.81103435 0.63530744 0.54867892 0.87852120 0.16786639 0.57279986 0.87852120 0.33213361 0.45132108 0.12147880 0.83213361 0.42720014 0.12147880 0.66786639 0.42176318 0.98054562 0.07028239 0.59769120 0.98054562 0.42971761 0.57823682 0.01945438 0.92971761 0.40230880 0.01945438 0.57028239 0.53614904 0.52629542 0.11772402 0.93755555 0.52629542 0.38227598 0.46385096 0.47370458 0.88227598 0.06244445 0.47370458 0.61772402 0.86813299 0.43614576 0.04769078 0.69572126 0.43614576 0.45230922 0.13186701 0.56385424 0.95230922 0.30427874 0.56385424 0.54769078 0.21508881 0.64555632 0.06641130 0.13935487 0.64555632 0.43358870 0.78491119 0.35444368 0.93358870 0.86064513 0.35444368 0.56641130 0.76160546 0.09966491 0.02015726 0.13872962 0.09966491 0.47984274 0.23839454 0.90033509 0.97984274 0.86127038 0.90033509 0.52015726 0.73758671 0.28962911 0.28211063 0.97278419 0.28962911 0.21788937 0.26241329 0.71037089 0.71788937 0.02721581 0.71037089 0.78211063 0.13979998 0.48408077 0.27918817 0.37611924 0.48408077 0.22081183 0.86020002 0.51591923 0.72081183 0.62388076 0.51591923 0.77918817 0.91532233 0.88690232 0.17896417 0.19777535 0.88690232 0.32103583 0.08467767 0.11309768 0.82103583 0.80222465 0.11309768 0.67896417 0.96623338 0.37411421 0.08014032 0.65965241 0.37411421 0.41985968 0.03376662 0.62588579 0.91985968 0.34034759 0.62588579 0.58014032 0.70944028 0.64074363 0.05721547 0.64981609 0.64074363 0.44278453 0.29055972 0.35925637 0.94278453 0.35018391 0.35925637 0.55721547 0.28020613 0.41250929 0.06648573 0.30728458 0.41250929 0.43351427 0.71979387 0.58749071 0.93351427 0.69271542 0.58749071 0.56648573 0.32680000 0.59977992 0.08877440 0.07342008 0.59977992 0.41122560 0.67320000 0.40022008 0.91122560 0.92657992 0.40022008 0.58877440 0.66767817 0.25882160 0.05045805 0.07350023 0.25882160 0.44954195 0.33232183 0.74117840 0.94954195 0.92649977 0.74117840 0.55045805 0.69258743 0.06686782 0.99504037 0.24054475 0.06686782 0.50495963 0.30741257 0.93313218 0.00495963 0.75945525 0.93313218 0.49504037 0.74125547 0.18832089 0.31029653 0.07042364 0.18832089 0.18970347 0.25874453 0.81167911 0.68970347 0.92957636 0.81167911 0.81029653 0.67620541 0.51056437 0.29989320 0.81323022 0.51056437 0.20010680 0.32379459 0.48943563 0.70010680 0.18676978 0.48943563 0.79989320 0.29036755 0.26355440 0.29924468 0.44607805 0.26355440 0.20075532 0.70963245 0.73644560 0.70075532 0.55392195 0.73644560 0.79924468 0.07866432 0.42168199 0.26213121 0.49965370 0.42168199 0.23786879 0.92133568 0.57831801 0.73786879 0.50034630 0.57831801 0.76213121 0.00489843 0.65990071 0.15748316 0.33520086 0.65990071 0.34251684 0.99510157 0.34009929 0.84251684 0.66479914 0.34009929 0.65748316 0.78765524 0.10533494 0.15492312 0.10700983 0.10533494 0.34507688 0.21234476 0.89466506 0.84507688 0.89299017 0.89466506 0.65492312 M6_341_750_noD2_0.02_e5_accurate 1 10.159155 -0.000000 -0.152882 5.079577 3.607207 -0.076441 -4.136502 0.000000 24.646830 Mg S O H 4 4 40 48 Direct configuration= 36 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06035404 0.87929190 0.25000000 0.93964596 0.12070810 0.75000000 0.42274364 0.89317275 0.12339390 0.68408361 0.89317275 0.37660610 0.57725636 0.10682725 0.87660610 0.31591639 0.10682725 0.62339390 0.18072110 0.18897250 0.13531552 0.63030638 0.18897250 0.36468448 0.81927890 0.81102750 0.86468448 0.36969362 0.81102750 0.63531552 0.54867350 0.87851286 0.16786661 0.57281363 0.87851286 0.33213339 0.45132650 0.12148714 0.83213339 0.42718637 0.12148714 0.66786661 0.42176071 0.98054650 0.07028111 0.59769279 0.98054650 0.42971889 0.57823929 0.01945350 0.92971889 0.40230721 0.01945350 0.57028111 0.53617196 0.52625399 0.11772333 0.93757406 0.52625399 0.38227667 0.46382804 0.47374601 0.88227667 0.06242594 0.47374601 0.61772333 0.86809175 0.43620129 0.04769605 0.69570696 0.43620129 0.45230395 0.13190825 0.56379871 0.95230395 0.30429304 0.56379871 0.54769605 0.21512170 0.64549109 0.06641388 0.13938721 0.64549109 0.43358612 0.78487830 0.35450891 0.93358612 0.86061279 0.35450891 0.56641388 0.76158892 0.09967763 0.02015293 0.13873345 0.09967763 0.47984707 0.23841108 0.90032237 0.97984707 0.86126655 0.90032237 0.52015293 0.73757035 0.28963998 0.28211515 0.97278968 0.28963998 0.21788485 0.26242965 0.71036002 0.71788485 0.02721032 0.71036002 0.78211515 0.13980769 0.48404656 0.27917790 0.37614575 0.48404656 0.22082210 0.86019231 0.51595344 0.72082210 0.62385425 0.51595344 0.77917790 0.91533112 0.88689163 0.17896275 0.19777725 0.88689163 0.32103725 0.08466888 0.11310837 0.82103725 0.80222275 0.11310837 0.67896275 0.96624722 0.37410014 0.08014454 0.65965264 0.37410014 0.41985546 0.03375278 0.62589986 0.91985546 0.34034736 0.62589986 0.58014454 0.70941552 0.64077857 0.05722247 0.64980590 0.64077857 0.44277753 0.29058448 0.35922143 0.94277753 0.35019410 0.35922143 0.55722247 0.28021978 0.41244888 0.06648547 0.30733134 0.41244888 0.43351453 0.71978022 0.58755112 0.93351453 0.69266866 0.58755112 0.56648547 0.32683408 0.59974856 0.08876822 0.07341736 0.59974856 0.41123178 0.67316592 0.40025144 0.91123178 0.92658264 0.40025144 0.58876822 0.66769947 0.25877717 0.05045735 0.07352335 0.25877717 0.44954265 0.33230053 0.74122283 0.94954265 0.92647665 0.74122283 0.55045735 0.69259163 0.06683729 0.99503423 0.24057108 0.06683729 0.50496577 0.30740837 0.93316271 0.00496577 0.75942892 0.93316271 0.49503423 0.74128370 0.18827463 0.31030097 0.07044166 0.18827463 0.18969903 0.25871630 0.81172537 0.68969903 0.92955834 0.81172537 0.81030097 0.67621176 0.51056255 0.29989598 0.81322569 0.51056255 0.20010402 0.32378824 0.48943745 0.70010402 0.18677431 0.48943745 0.79989598 0.29038091 0.26352962 0.29924419 0.44608946 0.26352962 0.20075581 0.70961909 0.73647038 0.70075581 0.55391054 0.73647038 0.79924419 0.07867599 0.42163686 0.26212666 0.49968716 0.42163686 0.23787334 0.92132401 0.57836314 0.73787334 0.50031284 0.57836314 0.76212666 0.00491094 0.65987170 0.15748455 0.33521736 0.65987170 0.34251545 0.99508906 0.34012830 0.84251545 0.66478264 0.34012830 0.65748455 0.78765749 0.10533885 0.15492559 0.10700366 0.10533885 0.34507441 0.21234251 0.89466115 0.84507441 0.89299634 0.89466115 0.65492559 M6_341_750_noD2_0.02_e5_accurate 1 10.158833 -0.000000 -0.153617 5.079416 3.607387 -0.076809 -4.138158 0.000000 24.646622 Mg S O H 4 4 40 48 Direct configuration= 37 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06042242 0.87915516 0.25000000 0.93957758 0.12084484 0.75000000 0.42276465 0.89312425 0.12339068 0.68411110 0.89312425 0.37660932 0.57723535 0.10687575 0.87660932 0.31588890 0.10687575 0.62339068 0.18073503 0.18899305 0.13533976 0.63027191 0.18899305 0.36466024 0.81926497 0.81100695 0.86466024 0.36972809 0.81100695 0.63533976 0.54865722 0.87848785 0.16786727 0.57285492 0.87848785 0.33213273 0.45134278 0.12151215 0.83213273 0.42714508 0.12151215 0.66786727 0.42175331 0.98054914 0.07027728 0.59769755 0.98054914 0.42972272 0.57824669 0.01945086 0.92972272 0.40230245 0.01945086 0.57027728 0.53624074 0.52612969 0.11772127 0.93762958 0.52612969 0.38227873 0.46375926 0.47387031 0.88227873 0.06237042 0.47387031 0.61772127 0.86796803 0.43636789 0.04771188 0.69566407 0.43636789 0.45228812 0.13203197 0.56363211 0.95228812 0.30433593 0.56363211 0.54771188 0.21522038 0.64529541 0.06642162 0.13948421 0.64529541 0.43357838 0.78477962 0.35470459 0.93357838 0.86051579 0.35470459 0.56642162 0.76153930 0.09971578 0.02013995 0.13874493 0.09971578 0.47986005 0.23846070 0.90028422 0.97986005 0.86125507 0.90028422 0.52013995 0.73752126 0.28967259 0.28212872 0.97280616 0.28967259 0.21787128 0.26247874 0.71032741 0.71787128 0.02719384 0.71032741 0.78212872 0.13983079 0.48394394 0.27914709 0.37622527 0.48394394 0.22085291 0.86016921 0.51605606 0.72085291 0.62377473 0.51605606 0.77914709 0.91535748 0.88685955 0.17895848 0.19778297 0.88685955 0.32104152 0.08464252 0.11314045 0.82104152 0.80221703 0.11314045 0.67895848 0.96628875 0.37405792 0.08015720 0.65965333 0.37405792 0.41984280 0.03371125 0.62594208 0.91984280 0.34034667 0.62594208 0.58015720 0.70934126 0.64088340 0.05724349 0.64977534 0.64088340 0.44275651 0.29065874 0.35911660 0.94275651 0.35022466 0.35911660 0.55724349 0.28026072 0.41226767 0.06648467 0.30747161 0.41226767 0.43351533 0.71973928 0.58773233 0.93351533 0.69252839 0.58773233 0.56648467 0.32693631 0.59965450 0.08874971 0.07340919 0.59965450 0.41125029 0.67306369 0.40034550 0.91125029 0.92659081 0.40034550 0.58874971 0.66776339 0.25864390 0.05045524 0.07359271 0.25864390 0.44954476 0.33223661 0.74135610 0.94954476 0.92640729 0.74135610 0.55045524 0.69260421 0.06674571 0.99501581 0.24065009 0.06674571 0.50498419 0.30739579 0.93325429 0.00498419 0.75934991 0.93325429 0.49501581 0.74136842 0.18813586 0.31031428 0.07049572 0.18813586 0.18968572 0.25863158 0.81186414 0.68968572 0.92950428 0.81186414 0.81031428 0.67623082 0.51055710 0.29990431 0.81321208 0.51055710 0.20009569 0.32376918 0.48944290 0.70009569 0.18678792 0.48944290 0.79990431 0.29042100 0.26345530 0.29924275 0.44612370 0.26345530 0.20075725 0.70957900 0.73654470 0.70075725 0.55387630 0.73654470 0.79924275 0.07871099 0.42150147 0.26211301 0.49978754 0.42150147 0.23788699 0.92128901 0.57849853 0.73788699 0.50021246 0.57849853 0.76211301 0.00494845 0.65978468 0.15748873 0.33526687 0.65978468 0.34251127 0.99505155 0.34021532 0.84251127 0.66473313 0.34021532 0.65748873 0.78766424 0.10535059 0.15493299 0.10698517 0.10535059 0.34506701 0.21233576 0.89464941 0.84506701 0.89301483 0.89464941 0.65493299 M6_341_750_noD2_0.02_e5_accurate 1 10.158188 -0.000000 -0.155088 5.079094 3.607746 -0.077544 -4.141469 0.000000 24.646206 Mg S O H 4 4 40 48 Direct configuration= 38 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06055916 0.87888168 0.25000000 0.93944084 0.12111832 0.75000000 0.42280666 0.89302725 0.12338425 0.68416609 0.89302725 0.37661575 0.57719334 0.10697275 0.87661575 0.31583391 0.10697275 0.62338425 0.18076290 0.18903416 0.13538825 0.63020294 0.18903416 0.36461175 0.81923710 0.81096584 0.86461175 0.36979706 0.81096584 0.63538825 0.54862467 0.87843782 0.16786860 0.57293750 0.87843782 0.33213140 0.45137533 0.12156218 0.83213140 0.42706250 0.12156218 0.66786860 0.42173849 0.98055443 0.07026962 0.59770707 0.98055443 0.42973038 0.57826151 0.01944557 0.92973038 0.40229293 0.01944557 0.57026962 0.53637829 0.52588111 0.11771715 0.93774061 0.52588111 0.38228285 0.46362171 0.47411889 0.88228285 0.06225939 0.47411889 0.61771715 0.86772062 0.43670108 0.04774353 0.69557831 0.43670108 0.45225647 0.13227938 0.56329892 0.95225647 0.30442169 0.56329892 0.54774353 0.21541772 0.64490408 0.06643708 0.13967820 0.64490408 0.43356292 0.78458228 0.35509592 0.93356292 0.86032180 0.35509592 0.56643708 0.76144004 0.09979206 0.02011398 0.13876790 0.09979206 0.47988602 0.23855996 0.90020794 0.97988602 0.86123210 0.90020794 0.52011398 0.73742309 0.28973781 0.28215585 0.97283911 0.28973781 0.21784415 0.26257691 0.71026219 0.71784415 0.02716089 0.71026219 0.78215585 0.13987697 0.48373870 0.27908546 0.37638433 0.48373870 0.22091454 0.86012303 0.51626130 0.72091454 0.62361567 0.51626130 0.77908546 0.91541021 0.88679539 0.17894995 0.19779440 0.88679539 0.32105005 0.08458979 0.11320461 0.82105005 0.80220560 0.11320461 0.67894995 0.96637183 0.37397349 0.08018253 0.65965469 0.37397349 0.41981747 0.03362817 0.62602651 0.91981747 0.34034531 0.62602651 0.58018253 0.70919275 0.64109303 0.05728553 0.64971422 0.64109303 0.44271447 0.29080725 0.35890697 0.94271447 0.35028578 0.35890697 0.55728553 0.28034258 0.41190527 0.06648308 0.30775215 0.41190527 0.43351692 0.71965742 0.58809473 0.93351692 0.69224785 0.58809473 0.56648308 0.32714077 0.59946639 0.08871268 0.07339284 0.59946639 0.41128732 0.67285923 0.40053361 0.91128732 0.92660716 0.40053361 0.58871268 0.66789122 0.25837736 0.05045104 0.07373143 0.25837736 0.44954896 0.33210878 0.74162264 0.94954896 0.92626857 0.74162264 0.55045104 0.69262935 0.06656255 0.99497897 0.24080810 0.06656255 0.50502103 0.30737065 0.93343745 0.00502103 0.75919190 0.93343745 0.49497897 0.74153784 0.18785834 0.31034090 0.07060382 0.18785834 0.18965910 0.25846216 0.81214166 0.68965910 0.92939618 0.81214166 0.81034090 0.67626894 0.51054620 0.29992097 0.81318486 0.51054620 0.20007903 0.32373106 0.48945380 0.70007903 0.18681514 0.48945380 0.79992097 0.29050118 0.26330665 0.29923986 0.44619217 0.26330665 0.20076014 0.70949882 0.73669335 0.70076014 0.55380783 0.73669335 0.79923986 0.07878098 0.42123072 0.26208570 0.49998830 0.42123072 0.23791430 0.92121902 0.57876928 0.73791430 0.50001170 0.57876928 0.76208570 0.00502347 0.65961065 0.15749707 0.33536588 0.65961065 0.34250293 0.99497653 0.34038935 0.84250293 0.66463412 0.34038935 0.65749707 0.78767775 0.10537407 0.15494779 0.10694818 0.10537407 0.34505221 0.21232225 0.89462593 0.84505221 0.89305182 0.89462593 0.65494779 M6_341_750_noD2_0.02_e5_accurate 1 10.158471 -0.000000 -0.154443 5.079235 3.607588 -0.077222 -4.140018 0.000000 24.646388 Mg S O H 4 4 40 48 Direct configuration= 39 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06049921 0.87900156 0.25000000 0.93950079 0.12099844 0.75000000 0.42278825 0.89306977 0.12338707 0.68414198 0.89306977 0.37661293 0.57721175 0.10693023 0.87661293 0.31585802 0.10693023 0.62338707 0.18075067 0.18901614 0.13536699 0.63023318 0.18901614 0.36463301 0.81924933 0.81098386 0.86463301 0.36976682 0.81098386 0.63536699 0.54863894 0.87845975 0.16786802 0.57290130 0.87845975 0.33213198 0.45136106 0.12154025 0.83213198 0.42709870 0.12154025 0.66786802 0.42174499 0.98055212 0.07027298 0.59770290 0.98055212 0.42972702 0.57825501 0.01944788 0.92972702 0.40229710 0.01944788 0.57027298 0.53631799 0.52599008 0.11771896 0.93769194 0.52599008 0.38228104 0.46368201 0.47400992 0.88228104 0.06230806 0.47400992 0.61771896 0.86782908 0.43655502 0.04772966 0.69561590 0.43655502 0.45227034 0.13217092 0.56344498 0.95227034 0.30438410 0.56344498 0.54772966 0.21533121 0.64507562 0.06643030 0.13959316 0.64507562 0.43356970 0.78466879 0.35492438 0.93356970 0.86040684 0.35492438 0.56643030 0.76148356 0.09975862 0.02012537 0.13875782 0.09975862 0.47987463 0.23851644 0.90024138 0.97987463 0.86124218 0.90024138 0.52012537 0.73746613 0.28970922 0.28214395 0.97282466 0.28970922 0.21785605 0.26253387 0.71029078 0.71785605 0.02717534 0.71029078 0.78214395 0.13985674 0.48382867 0.27911248 0.37631459 0.48382867 0.22088752 0.86014326 0.51617133 0.72088752 0.62368541 0.51617133 0.77911248 0.91538710 0.88682351 0.17895369 0.19778939 0.88682351 0.32104631 0.08461290 0.11317649 0.82104631 0.80221061 0.11317649 0.67895369 0.96633540 0.37401050 0.08017143 0.65965410 0.37401050 0.41982857 0.03366460 0.62598950 0.91982857 0.34034590 0.62598950 0.58017143 0.70925785 0.64100114 0.05726710 0.64974101 0.64100114 0.44273290 0.29074215 0.35899886 0.94273290 0.35025899 0.35899886 0.55726710 0.28030670 0.41206414 0.06648378 0.30762916 0.41206414 0.43351622 0.71969330 0.58793586 0.93351622 0.69237084 0.58793586 0.56648378 0.32705114 0.59954885 0.08872891 0.07340001 0.59954885 0.41127109 0.67294886 0.40045115 0.91127109 0.92659999 0.40045115 0.58872891 0.66783518 0.25849420 0.05045288 0.07367062 0.25849420 0.44954712 0.33216482 0.74150580 0.94954712 0.92632938 0.74150580 0.55045288 0.69261834 0.06664284 0.99499512 0.24073882 0.06664284 0.50500488 0.30738166 0.93335716 0.00500488 0.75926118 0.93335716 0.49499512 0.74146357 0.18797999 0.31032923 0.07055644 0.18797999 0.18967077 0.25853643 0.81202001 0.68967077 0.92944356 0.81202001 0.81032923 0.67625223 0.51055098 0.29991366 0.81319680 0.51055098 0.20008634 0.32374777 0.48944902 0.70008634 0.18680320 0.48944902 0.79991366 0.29046604 0.26337181 0.29924113 0.44616215 0.26337181 0.20075887 0.70953396 0.73662819 0.70075887 0.55383785 0.73662819 0.79924113 0.07875031 0.42134941 0.26209767 0.49990029 0.42134941 0.23790233 0.92124969 0.57865059 0.73790233 0.50009971 0.57865059 0.76209767 0.00499059 0.65968694 0.15749341 0.33532247 0.65968694 0.34250659 0.99500941 0.34031306 0.84250659 0.66467753 0.34031306 0.65749341 0.78767182 0.10536378 0.15494130 0.10696440 0.10536378 0.34505870 0.21232818 0.89463622 0.84505870 0.89303560 0.89463622 0.65494130 M6_341_750_noD2_0.02_e5_accurate 1 10.158163 -0.000000 -0.154822 5.079082 3.607563 -0.077411 -4.140826 0.000000 24.645399 Mg S O H 4 4 40 48 Direct configuration= 40 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06055353 0.87889293 0.25000000 0.93944647 0.12110707 0.75000000 0.42280024 0.89302769 0.12338831 0.68417207 0.89302769 0.37661169 0.57719976 0.10697231 0.87661169 0.31582793 0.10697231 0.62338831 0.18079897 0.18896154 0.13537510 0.63023949 0.18896154 0.36462490 0.81920103 0.81103846 0.86462490 0.36976051 0.81103846 0.63537510 0.54865031 0.87842264 0.16787036 0.57292704 0.87842264 0.33212964 0.45134969 0.12157736 0.83212964 0.42707296 0.12157736 0.66787036 0.42172698 0.98054257 0.07027728 0.59773044 0.98054257 0.42972272 0.57827302 0.01945743 0.92972272 0.40226956 0.01945743 0.57027728 0.53632168 0.52601021 0.11771420 0.93766812 0.52601021 0.38228580 0.46367832 0.47398979 0.88228580 0.06233188 0.47398979 0.61771420 0.86779961 0.43659792 0.04774066 0.69560247 0.43659792 0.45225934 0.13220039 0.56340208 0.95225934 0.30439753 0.56340208 0.54774066 0.21537247 0.64496772 0.06643178 0.13965981 0.64496772 0.43356822 0.78462753 0.35503228 0.93356822 0.86034019 0.35503228 0.56643178 0.76145442 0.09976790 0.02011149 0.13877768 0.09976790 0.47988851 0.23854558 0.90023210 0.97988851 0.86122232 0.90023210 0.52011149 0.73743710 0.28974882 0.28215377 0.97281409 0.28974882 0.21784623 0.26256290 0.71025118 0.71784623 0.02718591 0.71025118 0.78215377 0.13990628 0.48374985 0.27909860 0.37634387 0.48374985 0.22090140 0.86009372 0.51625015 0.72090140 0.62365613 0.51625015 0.77909860 0.91542049 0.88677828 0.17895528 0.19780123 0.88677828 0.32104472 0.08457951 0.11322172 0.82104472 0.80219877 0.11322172 0.67895528 0.96633634 0.37401601 0.08017666 0.65964766 0.37401601 0.41982334 0.03366366 0.62598399 0.91982334 0.34035234 0.62598399 0.58017666 0.70918117 0.64111587 0.05728610 0.64970296 0.64111587 0.44271390 0.29081883 0.35888413 0.94271390 0.35029704 0.35888413 0.55728610 0.28034304 0.41194839 0.06648614 0.30770857 0.41194839 0.43351386 0.71965696 0.58805161 0.93351386 0.69229143 0.58805161 0.56648614 0.32713740 0.59944674 0.08871682 0.07341587 0.59944674 0.41128318 0.67286260 0.40055326 0.91128318 0.92658413 0.40055326 0.58871682 0.66787295 0.25840448 0.05045284 0.07372257 0.25840448 0.44954716 0.33212705 0.74159552 0.94954716 0.92627743 0.74159552 0.55045284 0.69262682 0.06658983 0.99498803 0.24078335 0.06658983 0.50501197 0.30737318 0.93341017 0.00501197 0.75921665 0.93341017 0.49498803 0.74150650 0.18791360 0.31033903 0.07057990 0.18791360 0.18966097 0.25849350 0.81208640 0.68966097 0.92942010 0.81208640 0.81033903 0.67626726 0.51051502 0.29991753 0.81321772 0.51051502 0.20008247 0.32373274 0.48948498 0.70008247 0.18678228 0.48948498 0.79991753 0.29047757 0.26335188 0.29924021 0.44617055 0.26335188 0.20075979 0.70952243 0.73664812 0.70075979 0.55382945 0.73664812 0.79924021 0.07876196 0.42123835 0.26208763 0.49999969 0.42123835 0.23791237 0.92123804 0.57876165 0.73791237 0.50000031 0.57876165 0.76208763 0.00500922 0.65963779 0.15749621 0.33535300 0.65963779 0.34250379 0.99499078 0.34036221 0.84250379 0.66464700 0.34036221 0.65749621 0.78767938 0.10536179 0.15494451 0.10695883 0.10536179 0.34505549 0.21232062 0.89463821 0.84505549 0.89304117 0.89463821 0.65494451 M6_341_750_noD2_0.02_e5_accurate 1 10.157727 -0.000000 -0.155359 5.078863 3.607528 -0.077679 -4.141972 0.000000 24.643994 Mg S O H 4 4 40 48 Direct configuration= 41 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06063060 0.87873879 0.25000000 0.93936940 0.12126121 0.75000000 0.42281725 0.89296799 0.12339007 0.68421477 0.89296799 0.37660993 0.57718275 0.10703201 0.87660993 0.31578523 0.10703201 0.62339007 0.18086750 0.18888406 0.13538660 0.63024843 0.18888406 0.36461340 0.81913250 0.81111594 0.86461340 0.36975157 0.81111594 0.63538660 0.54866644 0.87836998 0.16787368 0.57296358 0.87836998 0.33212632 0.45133356 0.12163002 0.83212632 0.42703642 0.12163002 0.66787368 0.42170143 0.98052903 0.07028337 0.59776953 0.98052903 0.42971663 0.57829857 0.01947097 0.92971663 0.40223047 0.01947097 0.57028337 0.53632692 0.52603877 0.11770745 0.93763432 0.52603877 0.38229255 0.46367308 0.47396123 0.88229255 0.06236568 0.47396123 0.61770745 0.86775780 0.43665878 0.04775627 0.69558341 0.43665878 0.45224373 0.13224220 0.56334122 0.95224373 0.30441659 0.56334122 0.54775627 0.21543101 0.64481463 0.06643388 0.13975436 0.64481463 0.43356612 0.78456899 0.35518537 0.93356612 0.86024564 0.35518537 0.56643388 0.76141308 0.09978107 0.02009180 0.13880585 0.09978107 0.47990820 0.23858692 0.90021893 0.97990820 0.86119415 0.90021893 0.52009180 0.73739592 0.28980501 0.28216770 0.97279908 0.28980501 0.21783230 0.26260408 0.71019499 0.71783230 0.02720092 0.71019499 0.78216770 0.13997657 0.48363802 0.27907891 0.37638541 0.48363802 0.22092109 0.86002343 0.51636198 0.72092109 0.62361459 0.51636198 0.77907891 0.91546788 0.88671409 0.17895753 0.19781803 0.88671409 0.32104247 0.08453212 0.11328591 0.82104247 0.80218197 0.11328591 0.67895753 0.96633766 0.37402383 0.08018410 0.65963851 0.37402383 0.41981590 0.03366234 0.62597617 0.91981590 0.34036149 0.62597617 0.58018410 0.70907237 0.64127866 0.05731307 0.64964896 0.64127866 0.44268693 0.29092763 0.35872134 0.94268693 0.35035104 0.35872134 0.55731307 0.28039460 0.41178415 0.06648948 0.30782124 0.41178415 0.43351052 0.71960540 0.58821585 0.93351052 0.69217876 0.58821585 0.56648948 0.32725978 0.59930185 0.08869967 0.07343837 0.59930185 0.41130033 0.67274022 0.40069815 0.91130033 0.92656163 0.40069815 0.58869967 0.66792654 0.25827719 0.05045279 0.07379627 0.25827719 0.44954721 0.33207346 0.74172281 0.94954721 0.92620373 0.74172281 0.55045279 0.69263884 0.06651463 0.99497797 0.24084653 0.06651463 0.50502203 0.30736116 0.93348537 0.00502203 0.75915347 0.93348537 0.49497797 0.74156741 0.18781941 0.31035293 0.07061318 0.18781941 0.18964707 0.25843259 0.81218059 0.68964707 0.92938682 0.81218059 0.81035293 0.67628860 0.51046400 0.29992302 0.81324740 0.51046400 0.20007698 0.32371140 0.48953600 0.70007698 0.18675260 0.48953600 0.79992302 0.29049395 0.26332359 0.29923890 0.44618246 0.26332359 0.20076110 0.70950605 0.73667641 0.70076110 0.55381754 0.73667641 0.79923890 0.07877849 0.42108078 0.26207337 0.50014073 0.42108078 0.23792663 0.92122151 0.57891922 0.73792663 0.49985927 0.57891922 0.76207337 0.00503565 0.65956805 0.15750017 0.33539631 0.65956805 0.34249983 0.99496435 0.34043195 0.84249983 0.66460369 0.34043195 0.65750017 0.78769012 0.10535897 0.15494907 0.10695091 0.10535897 0.34505093 0.21230988 0.89464103 0.84505093 0.89304909 0.89464103 0.65494907 M6_341_750_noD2_0.02_e5_accurate 1 10.157368 -0.000000 -0.155645 5.078684 3.607435 -0.077823 -4.142541 0.000000 24.642673 Mg S O H 4 4 40 48 Direct configuration= 42 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06068232 0.87863536 0.25000000 0.93931768 0.12136464 0.75000000 0.42282296 0.89297305 0.12340028 0.68420399 0.89297305 0.37659972 0.57717704 0.10702695 0.87659972 0.31579601 0.10702695 0.62340028 0.18091192 0.18880144 0.13538586 0.63028663 0.18880144 0.36461414 0.81908808 0.81119856 0.86461414 0.36971337 0.81119856 0.63538586 0.54871714 0.87830562 0.16788076 0.57297723 0.87830562 0.33211924 0.45128286 0.12169438 0.83211924 0.42702277 0.12169438 0.66788076 0.42167437 0.98051883 0.07028728 0.59780680 0.98051883 0.42971272 0.57832563 0.01948117 0.92971272 0.40219320 0.01948117 0.57028728 0.53631558 0.52606143 0.11769856 0.93762299 0.52606143 0.38230144 0.46368442 0.47393857 0.88230144 0.06237701 0.47393857 0.61769856 0.86771730 0.43670649 0.04776733 0.69557621 0.43670649 0.45223267 0.13228270 0.56329351 0.95223267 0.30442379 0.56329351 0.54776733 0.21546610 0.64473161 0.06643507 0.13980229 0.64473161 0.43356493 0.78453390 0.35526839 0.93356493 0.86019771 0.35526839 0.56643507 0.76141593 0.09977539 0.02008041 0.13880867 0.09977539 0.47991959 0.23858407 0.90022461 0.97991959 0.86119133 0.90022461 0.52008041 0.73740748 0.28975787 0.28216971 0.97283466 0.28975787 0.21783029 0.26259252 0.71024213 0.71783029 0.02716534 0.71024213 0.78216971 0.14000466 0.48353627 0.27906231 0.37645907 0.48353627 0.22093769 0.85999534 0.51646373 0.72093769 0.62354093 0.51646373 0.77906231 0.91549517 0.88668063 0.17896088 0.19782420 0.88668063 0.32103912 0.08450483 0.11331937 0.82103912 0.80217580 0.11331937 0.67896088 0.96631527 0.37406438 0.08018927 0.65962034 0.37406438 0.41981073 0.03368473 0.62593562 0.91981073 0.34037966 0.62593562 0.58018927 0.70903409 0.64135216 0.05733315 0.64961375 0.64135216 0.44266685 0.29096591 0.35864784 0.94266685 0.35038625 0.35864784 0.55733315 0.28043949 0.41168997 0.06649550 0.30787054 0.41168997 0.43350450 0.71956051 0.58831003 0.93350450 0.69212946 0.58831003 0.56649550 0.32733657 0.59916102 0.08868280 0.07350241 0.59916102 0.41131720 0.67266343 0.40083898 0.91131720 0.92649759 0.40083898 0.58868280 0.66795783 0.25818525 0.05045238 0.07385693 0.25818525 0.44954762 0.33204217 0.74181475 0.94954762 0.92614307 0.74181475 0.55045238 0.69262649 0.06646742 0.99497070 0.24090609 0.06646742 0.50502930 0.30737351 0.93353258 0.00502930 0.75909391 0.93353258 0.49497070 0.74159016 0.18779609 0.31036324 0.07061376 0.18779609 0.18963676 0.25840984 0.81220391 0.68963676 0.92938624 0.81220391 0.81036324 0.67628324 0.51046707 0.29993163 0.81324969 0.51046707 0.20006837 0.32371676 0.48953293 0.70006837 0.18675031 0.48953293 0.79993163 0.29050839 0.26330793 0.29924010 0.44618368 0.26330793 0.20075990 0.70949161 0.73669207 0.70075990 0.55381632 0.73669207 0.79924010 0.07881044 0.42098899 0.26207135 0.50020056 0.42098899 0.23792865 0.92118956 0.57901101 0.73792865 0.49979944 0.57901101 0.76207135 0.00504661 0.65952986 0.15750227 0.33542352 0.65952986 0.34249773 0.99495339 0.34047014 0.84249773 0.66457648 0.34047014 0.65750227 0.78771886 0.10531346 0.15495261 0.10696768 0.10531346 0.34504739 0.21228114 0.89468654 0.84504739 0.89303232 0.89468654 0.65495261 M6_341_750_noD2_0.02_e5_accurate 1 10.156462 -0.000000 -0.156369 5.078231 3.607200 -0.078184 -4.143978 0.000000 24.639338 Mg S O H 4 4 40 48 Direct configuration= 43 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06081283 0.87837432 0.25000000 0.93918717 0.12162568 0.75000000 0.42283739 0.89298582 0.12342604 0.68417679 0.89298582 0.37657396 0.57716261 0.10701418 0.87657396 0.31582321 0.10701418 0.62342604 0.18102403 0.18859293 0.13538402 0.63038303 0.18859293 0.36461598 0.81897597 0.81140707 0.86461598 0.36961697 0.81140707 0.63538402 0.54884511 0.87814320 0.16789864 0.57301168 0.87814320 0.33210136 0.45115489 0.12185680 0.83210136 0.42698832 0.12185680 0.66789864 0.42160607 0.98049306 0.07029714 0.59790087 0.98049306 0.42970286 0.57839393 0.01950694 0.92970286 0.40209913 0.01950694 0.57029714 0.53628697 0.52611864 0.11767613 0.93759440 0.52611864 0.38232387 0.46371303 0.47388136 0.88232387 0.06240560 0.47388136 0.61767613 0.86761509 0.43682688 0.04779525 0.69555803 0.43682688 0.45220475 0.13238491 0.56317312 0.95220475 0.30444197 0.56317312 0.54779525 0.21555468 0.64452208 0.06643808 0.13992324 0.64452208 0.43356192 0.78444532 0.35547792 0.93356192 0.86007676 0.35547792 0.56643808 0.76142314 0.09976106 0.02005167 0.13881580 0.09976106 0.47994833 0.23857686 0.90023894 0.97994833 0.86118420 0.90023894 0.52005167 0.73743666 0.28963889 0.28217480 0.97292446 0.28963889 0.21782520 0.26256334 0.71036111 0.71782520 0.02707554 0.71036111 0.78217480 0.14007554 0.48327946 0.27902041 0.37664500 0.48327946 0.22097959 0.85992446 0.51672054 0.72097959 0.62335500 0.51672054 0.77902041 0.91556405 0.88659618 0.17896933 0.19783976 0.88659618 0.32103067 0.08443595 0.11340382 0.82103067 0.80216024 0.11340382 0.67896933 0.96625878 0.37416674 0.08020233 0.65957448 0.37416674 0.41979767 0.03374122 0.62583326 0.91979767 0.34042552 0.62583326 0.58020233 0.70893747 0.64153766 0.05738382 0.64952488 0.64153766 0.44261618 0.29106253 0.35846234 0.94261618 0.35047512 0.35846234 0.55738382 0.28055279 0.41145228 0.06651068 0.30799494 0.41145228 0.43348932 0.71944721 0.58854772 0.93348932 0.69200506 0.58854772 0.56651068 0.32753037 0.59880559 0.08864022 0.07366405 0.59880559 0.41135978 0.67246963 0.40119441 0.91135978 0.92633595 0.40119441 0.58864022 0.66803680 0.25795319 0.05045135 0.07401001 0.25795319 0.44954865 0.33196320 0.74204681 0.94954865 0.92598999 0.74204681 0.55045135 0.69259531 0.06634827 0.99495236 0.24105642 0.06634827 0.50504764 0.30740469 0.93365173 0.00504764 0.75894358 0.93365173 0.49495236 0.74164756 0.18773723 0.31038927 0.07061521 0.18773723 0.18961073 0.25835244 0.81226277 0.68961073 0.92938479 0.81226277 0.81038927 0.67626970 0.51047481 0.29995336 0.81325549 0.51047481 0.20004664 0.32373030 0.48952519 0.70004664 0.18674451 0.48952519 0.79995336 0.29054485 0.26326838 0.29924313 0.44618677 0.26326838 0.20075687 0.70945515 0.73673162 0.70075687 0.55381323 0.73673162 0.79924313 0.07889109 0.42075734 0.26206626 0.50035157 0.42075734 0.23793374 0.92110891 0.57924266 0.73793374 0.49964843 0.57924266 0.76206626 0.00507429 0.65943350 0.15750757 0.33549221 0.65943350 0.34249243 0.99492571 0.34056650 0.84249243 0.66450779 0.34056650 0.65750757 0.78779140 0.10519862 0.15496155 0.10700998 0.10519862 0.34503845 0.21220860 0.89480138 0.84503845 0.89299002 0.89480138 0.65496155 M6_341_750_noD2_0.02_e5_accurate 1 10.156375 -0.000000 -0.156651 5.078188 3.607129 -0.078326 -4.144646 0.000000 24.638214 Mg S O H 4 4 40 48 Direct configuration= 44 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06085959 0.87828081 0.25000000 0.93914041 0.12171919 0.75000000 0.42287225 0.89293323 0.12343030 0.68419452 0.89293323 0.37656970 0.57712775 0.10706677 0.87656970 0.31580548 0.10706677 0.62343030 0.18101442 0.18857324 0.13538653 0.63041233 0.18857324 0.36461347 0.81898558 0.81142676 0.86461347 0.36958767 0.81142676 0.63538653 0.54891608 0.87807739 0.16791100 0.57300653 0.87807739 0.33208900 0.45108392 0.12192261 0.83208900 0.42699347 0.12192261 0.66791100 0.42157916 0.98050777 0.07029754 0.59791307 0.98050777 0.42970246 0.57842084 0.01949223 0.92970246 0.40208693 0.01949223 0.57029754 0.53629024 0.52609805 0.11766954 0.93761172 0.52609805 0.38233046 0.46370976 0.47390195 0.88233046 0.06238828 0.47390195 0.61766954 0.86755512 0.43689042 0.04780462 0.69555446 0.43689042 0.45219538 0.13244488 0.56310958 0.95219538 0.30444554 0.56310958 0.54780462 0.21557278 0.64445737 0.06643614 0.13996985 0.64445737 0.43356386 0.78442722 0.35554263 0.93356386 0.86003015 0.35554263 0.56643614 0.76141269 0.09975198 0.02003825 0.13883533 0.09975198 0.47996175 0.23858731 0.90024802 0.97996175 0.86116467 0.90024802 0.52003825 0.73745822 0.28959587 0.28217742 0.97294592 0.28959587 0.21782258 0.26254178 0.71040413 0.71782258 0.02705408 0.71040413 0.78217742 0.14011630 0.48319097 0.27900889 0.37669272 0.48319097 0.22099111 0.85988370 0.51680903 0.72099111 0.62330728 0.51680903 0.77900889 0.91560203 0.88653792 0.17897315 0.19786004 0.88653792 0.32102685 0.08439797 0.11346208 0.82102685 0.80213996 0.11346208 0.67897315 0.96623419 0.37421866 0.08021058 0.65954715 0.37421866 0.41978942 0.03376581 0.62578134 0.91978942 0.34045285 0.62578134 0.58021058 0.70891940 0.64158606 0.05740423 0.64949455 0.64158606 0.44259577 0.29108060 0.35841394 0.94259577 0.35050545 0.35841394 0.55740423 0.28060155 0.41136167 0.06651774 0.30803678 0.41136167 0.43348226 0.71939845 0.58863833 0.93348226 0.69196322 0.58863833 0.56651774 0.32762042 0.59863906 0.08862362 0.07374052 0.59863906 0.41137638 0.67237958 0.40136094 0.91137638 0.92625948 0.40136094 0.58862362 0.66807485 0.25784796 0.05044905 0.07407719 0.25784796 0.44955095 0.33192515 0.74215204 0.94955095 0.92592281 0.74215204 0.55044905 0.69259162 0.06630565 0.99494890 0.24110273 0.06630565 0.50505110 0.30740838 0.93369435 0.00505110 0.75889727 0.93369435 0.49494890 0.74166387 0.18772264 0.31040035 0.07061349 0.18772264 0.18959965 0.25833613 0.81227736 0.68959965 0.92938651 0.81227736 0.81040035 0.67626783 0.51045209 0.29995990 0.81328008 0.51045209 0.20004010 0.32373217 0.48954791 0.70004010 0.18671992 0.48954791 0.79995990 0.29056005 0.26324763 0.29924437 0.44619232 0.26324763 0.20075563 0.70943995 0.73675237 0.70075563 0.55380768 0.73675237 0.79924437 0.07891771 0.42064306 0.26206245 0.50043923 0.42064306 0.23793755 0.92108229 0.57935694 0.73793755 0.49956077 0.57935694 0.76206245 0.00507945 0.65940525 0.15751029 0.33551530 0.65940525 0.34248971 0.99492055 0.34059475 0.84248971 0.66448470 0.34059475 0.65751029 0.78781915 0.10515194 0.15496300 0.10702891 0.10515194 0.34503700 0.21218085 0.89484806 0.84503700 0.89297109 0.89484806 0.65496300 M6_341_750_noD2_0.02_e5_accurate 1 10.156114 -0.000000 -0.157500 5.078057 3.606917 -0.078750 -4.146650 0.000000 24.634842 Mg S O H 4 4 40 48 Direct configuration= 45 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06099986 0.87800027 0.25000000 0.93900014 0.12199973 0.75000000 0.42297686 0.89277543 0.12344308 0.68424771 0.89277543 0.37655692 0.57702314 0.10722457 0.87655692 0.31575229 0.10722457 0.62344308 0.18098560 0.18851417 0.13539406 0.63050022 0.18851417 0.36460594 0.81901440 0.81148583 0.86460594 0.36949978 0.81148583 0.63539406 0.54912899 0.87787994 0.16794807 0.57299106 0.87787994 0.33205193 0.45087101 0.12212006 0.83205193 0.42700894 0.12212006 0.66794807 0.42149842 0.98055189 0.07029876 0.59794968 0.98055189 0.42970124 0.57850158 0.01944811 0.92970124 0.40205032 0.01944811 0.57029876 0.53630006 0.52603626 0.11764977 0.93766369 0.52603626 0.38235023 0.46369994 0.47396374 0.88235023 0.06233631 0.47396374 0.61764977 0.86737520 0.43708106 0.04783276 0.69554374 0.43708106 0.45216724 0.13262480 0.56291894 0.95216724 0.30445626 0.56291894 0.54783276 0.21562710 0.64426324 0.06643034 0.14010966 0.64426324 0.43356966 0.78437290 0.35573676 0.93356966 0.85989034 0.35573676 0.56643034 0.76138134 0.09972475 0.01999799 0.13889391 0.09972475 0.48000201 0.23861866 0.90027525 0.98000201 0.86110609 0.90027525 0.51999799 0.73752292 0.28946678 0.28218527 0.97301031 0.28946678 0.21781473 0.26247708 0.71053322 0.71781473 0.02698969 0.71053322 0.78218527 0.14023858 0.48292552 0.27897433 0.37683590 0.48292552 0.22102567 0.85976142 0.51707448 0.72102567 0.62316410 0.51707448 0.77897433 0.91571598 0.88636313 0.17898460 0.19792089 0.88636313 0.32101540 0.08428402 0.11363687 0.82101540 0.80207911 0.11363687 0.67898460 0.96616041 0.37437443 0.08023534 0.65946515 0.37437443 0.41976466 0.03383959 0.62562557 0.91976466 0.34053485 0.62562557 0.58023534 0.70886518 0.64173126 0.05746549 0.64940356 0.64173126 0.44253451 0.29113482 0.35826874 0.94253451 0.35059644 0.35826874 0.55746549 0.28074785 0.41108984 0.06653893 0.30816232 0.41108984 0.43346107 0.71925215 0.58891016 0.93346107 0.69183768 0.58891016 0.56653893 0.32789059 0.59813946 0.08857382 0.07396996 0.59813946 0.41142618 0.67210941 0.40186054 0.91142618 0.92603004 0.40186054 0.58857382 0.66818902 0.25753225 0.05044213 0.07427873 0.25753225 0.44955787 0.33181098 0.74246775 0.94955787 0.92572127 0.74246775 0.55044213 0.69258054 0.06617779 0.99493854 0.24124168 0.06617779 0.50506146 0.30741946 0.93382221 0.00506146 0.75875832 0.93382221 0.49493854 0.74171281 0.18767886 0.31043357 0.07060832 0.18767886 0.18956643 0.25828719 0.81232114 0.68956643 0.92939168 0.81232114 0.81043357 0.67626220 0.51038395 0.29997955 0.81335385 0.51038395 0.20002045 0.32373780 0.48961605 0.70002045 0.18664615 0.48961605 0.79997955 0.29060565 0.26318537 0.29924809 0.44620898 0.26318537 0.20075191 0.70939435 0.73681463 0.70075191 0.55379102 0.73681463 0.79924809 0.07899756 0.42030021 0.26205101 0.50070222 0.42030021 0.23794899 0.92100244 0.57969979 0.73794899 0.49929778 0.57969979 0.76205101 0.00509493 0.65932053 0.15751848 0.33558455 0.65932053 0.34248152 0.99490507 0.34067947 0.84248152 0.66441545 0.34067947 0.65751848 0.78790241 0.10501190 0.15496734 0.10708569 0.10501190 0.34503266 0.21209759 0.89498810 0.84503266 0.89291431 0.89498810 0.65496734 M6_341_750_noD2_0.02_e5_accurate 1 10.156175 -0.000000 -0.157301 5.078088 3.606967 -0.078650 -4.146179 0.000000 24.635635 Mg S O H 4 4 40 48 Direct configuration= 46 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06096689 0.87806620 0.25000000 0.93903311 0.12193380 0.75000000 0.42295228 0.89281252 0.12344008 0.68423521 0.89281252 0.37655992 0.57704772 0.10718748 0.87655992 0.31576479 0.10718748 0.62344008 0.18099237 0.18852805 0.13539229 0.63047956 0.18852805 0.36460771 0.81900763 0.81147195 0.86460771 0.36952044 0.81147195 0.63539229 0.54907895 0.87792634 0.16793936 0.57299469 0.87792634 0.33206064 0.45092105 0.12207366 0.83206064 0.42700531 0.12207366 0.66793936 0.42151740 0.98054153 0.07029847 0.59794108 0.98054153 0.42970153 0.57848260 0.01945847 0.92970153 0.40205892 0.01945847 0.57029847 0.53629775 0.52605078 0.11765442 0.93765148 0.52605078 0.38234558 0.46370225 0.47394922 0.88234558 0.06234852 0.47394922 0.61765442 0.86741748 0.43703626 0.04782615 0.69554626 0.43703626 0.45217385 0.13258252 0.56296374 0.95217385 0.30445374 0.56296374 0.54782615 0.21561434 0.64430886 0.06643170 0.14007680 0.64430886 0.43356830 0.78438566 0.35569114 0.93356830 0.85992320 0.35569114 0.56643170 0.76138871 0.09973115 0.02000745 0.13888014 0.09973115 0.47999255 0.23861129 0.90026885 0.97999255 0.86111986 0.90026885 0.52000745 0.73750771 0.28949712 0.28218343 0.97299518 0.28949712 0.21781657 0.26249229 0.71050288 0.71781657 0.02700482 0.71050288 0.78218343 0.14020984 0.48298790 0.27898245 0.37680225 0.48298790 0.22101755 0.85979016 0.51701210 0.72101755 0.62319775 0.51701210 0.77898245 0.91568920 0.88640421 0.17898191 0.19790659 0.88640421 0.32101809 0.08431080 0.11359579 0.82101809 0.80209341 0.11359579 0.67898191 0.96617775 0.37433783 0.08022952 0.65948442 0.37433783 0.41977048 0.03382225 0.62566217 0.91977048 0.34051558 0.62566217 0.58022952 0.70887792 0.64169714 0.05745109 0.64942494 0.64169714 0.44254891 0.29112208 0.35830286 0.94254891 0.35057506 0.35830286 0.55745109 0.28071346 0.41115372 0.06653395 0.30813282 0.41115372 0.43346605 0.71928654 0.58884628 0.93346605 0.69186718 0.58884628 0.56653395 0.32782710 0.59825686 0.08858553 0.07391604 0.59825686 0.41141447 0.67217290 0.40174314 0.91141447 0.92608396 0.40174314 0.58858553 0.66816219 0.25760644 0.05044376 0.07423137 0.25760644 0.44955624 0.33183781 0.74239356 0.94955624 0.92576863 0.74239356 0.55044376 0.69258314 0.06620783 0.99494097 0.24120902 0.06620783 0.50505903 0.30741686 0.93379217 0.00505903 0.75879098 0.93379217 0.49494097 0.74170131 0.18768915 0.31042576 0.07060954 0.18768915 0.18957424 0.25829869 0.81231085 0.68957424 0.92939046 0.81231085 0.81042576 0.67626352 0.51039996 0.29997493 0.81333652 0.51039996 0.20002507 0.32373648 0.48960004 0.70002507 0.18666348 0.48960004 0.79997493 0.29059494 0.26320000 0.29924721 0.44620506 0.26320000 0.20075279 0.70940506 0.73680000 0.70075279 0.55379494 0.73680000 0.79924721 0.07897880 0.42038078 0.26205370 0.50064042 0.42038078 0.23794630 0.92102120 0.57961922 0.73794630 0.49935958 0.57961922 0.76205370 0.00509129 0.65934044 0.15751655 0.33556828 0.65934044 0.34248345 0.99490871 0.34065956 0.84248345 0.66443172 0.34065956 0.65751655 0.78788284 0.10504481 0.15496632 0.10707234 0.10504481 0.34503368 0.21211716 0.89495519 0.84503368 0.89292766 0.89495519 0.65496632 M6_341_750_noD2_0.02_e5_accurate 1 10.156253 -0.000000 -0.157656 5.078127 3.606993 -0.078828 -4.147083 0.000000 24.634942 Mg S O H 4 4 40 48 Direct configuration= 47 -0.00000000 -0.00000000 -0.00000000 -0.00000000 -0.00000000 0.50000000 0.06098952 0.87802095 0.25000000 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