kainite_0.02_D2_accurate_700_realspace_2 1.00000000000000 9.6018299999999996 0.0000000000000000 0.0000000000000000 0.0000000000000000 16.0555999999999983 0.0000000000000000 0.0000000000000000 0.0000000000000000 23.0000000000000000 K Mg S Cl O H 8 8 8 8 54 44 Direct 0.8843739447330445 0.5025306356992136 0.1693889603638043 0.5739890572348496 0.5293616203610739 0.2690397293001959 0.5809709458970349 0.8310862352598327 0.2727155102066574 0.5923137929361187 0.1618777843639470 0.2501766358548363 0.9906260552669555 -0.0025306356992137 0.2636860396361980 0.3010109427651501 0.9706383796389261 0.1640352706998062 0.2826862070638810 0.3381222156360527 0.1828983641451589 0.2940290541029655 0.6689137647401673 0.1603594897933450 0.9375000000000000 0.7500000000000000 0.2165375000000012 0.9375000000000000 0.2500000000000000 0.2165375000000012 0.1982807493380613 0.2475902562449520 0.0323451614907199 0.1829995873848849 0.8112556353394127 0.3756110804370893 0.5883634719147834 0.0194068461011478 0.0820623164621741 0.2866365280852165 0.4805931538988523 0.3510126835378283 0.6920004126151147 0.6887443646605873 0.0574639195629131 0.6767192506619387 0.2524097437550482 0.4007298385092824 0.8824867330367608 0.8392004875644943 0.3489717871492126 0.8745182497868929 0.1637206656077705 0.3469970085396494 0.3915833010368297 0.6696088826975732 0.3489457413630444 0.4066274630737081 0.3290809352147690 0.3402321906842044 0.0004817502131068 0.3362793343922294 0.0860779914603461 0.9925132669632392 0.6607995124355057 0.0841032128507899 0.4683725369262919 0.1709190647852306 0.0928428093157908 0.4834166989631703 0.8303911173024268 0.0841292586369581 0.2277905950035946 0.5055918960159973 0.2518547971006748 0.8723851361783487 0.4638980247847133 0.3140165418991567 0.2686102290174047 0.8749056499947454 0.2905281786852703 0.2890504222416118 0.0915309305601150 0.2726673896384935 0.6472094049964054 0.9944081039840027 0.1812202028993276 0.0026148638216509 0.0361019752152867 0.1190584581008458 0.5859495777583809 0.4084690694398851 0.1604076103615089 0.6063897709825952 0.6250943500052546 0.1425468213147321 0.4803680445749489 0.7245353232113023 0.3835832082290390 0.4744037691243774 0.2702776776545142 0.3817534303689085 0.9858211685737519 0.7746644856999567 0.3717801763937144 0.8790326088613680 0.2513198404298194 0.3703441776694845 0.7435175103985285 0.8218490443070859 0.3708097036753188 0.7227106618650898 0.1389944284360128 0.3589408890378638 0.9345552565041377 0.9229440698991223 0.3655884505455591 0.9721208274005756 0.1077694339902764 0.3752710159888853 0.4051216749206169 0.5803480759886172 0.3674641795885729 0.4759936199475881 0.4143687208469983 0.3466290900145630 0.2385116707989345 0.6934931087827397 0.3615747236435193 0.2587118380674956 0.3475241034658960 0.3576459078283568 0.8856957821746047 0.8333242435473167 0.2832124649261248 0.8957925491353673 0.1626575900596259 0.2824560629739130 0.4198163703782641 0.6766564471864692 0.2860213057739457 0.4179160629340624 0.2979211595345402 0.2809801430177166 0.1176480500494988 0.5322697520400779 0.3890640374253890 0.2670927942987156 0.3184101266917091 0.9625205196815162 0.7921177697342908 0.6629789203745667 0.2441596934019942 0.7614202920241161 0.3131314051117428 0.2451033210492782 0.1649909262970023 0.9079622520649411 0.4293708427291971 0.2501129875759661 0.0632739583680232 0.4089350911199423 0.7341023565577415 0.6471940884978367 0.3548629966693970 0.7001077581140528 0.3762455834248816 0.4143633735430802 0.0894613277585067 0.6827722559357459 0.2602023073960635 0.0622995159569370 0.3217908532188067 0.2697885029407957 0.3088647197864987 0.5080365961230521 0.1113536394998980 0.4005962308756226 0.2297223223454860 0.0513215696310938 0.3946319554250511 0.7754646767886977 0.0494917917709635 -0.0040326088613676 0.2486801595701801 0.0627308223305108 0.8891788314262481 0.7253355143000433 0.0612948236062809 0.1522893381349103 0.3610055715639873 0.0741341109621385 0.1314824896014711 0.6781509556929141 0.0622652963246761 0.9028791725994244 0.3922305660097237 0.0578039840111100 0.9404447434958623 0.5770559301008777 0.0674865494544361 0.3990063800524119 0.0856312791530016 0.0864459099854396 0.4698783250793831 0.9196519240113828 0.0656108204114297 0.6162881619325045 0.1524758965341041 0.0754290921716457 0.6364883292010651 0.8065068912172603 0.0715002763564830 0.9792074508646327 0.3373424099403741 0.1506189370260896 0.9893042178253953 0.6666757564526833 0.1498625350738773 0.4570839370659376 0.2020788404654597 0.1520948569822789 0.4551836296217359 0.8233435528135308 0.1470536942260495 0.7573519499505017 0.9677302479599221 0.0440109625746133 0.6079072057012841 0.1815898733082911 0.4705544803184799 0.1135797079758844 0.1868685948882573 0.1879716789507170 0.0828822302657087 0.8370210796254333 0.1889153065980081 0.6248870124240333 0.4367260416319770 0.0241399088800600 0.7100090737029976 0.5920377479350589 0.0037041572708051 0.1748922418859471 0.1237544165751184 0.0187116264569221 0.1408976434422580 0.8528059115021633 0.0782120033306054 0.8127004840430628 0.1782091467811933 0.1632864970592066 0.7855386722414937 0.8172277440642541 0.1728726926039389 0.5661352802135011 0.9919634038769479 0.3217213605001044 0.0289551917080733 0.5180051086011987 0.3691767102085135 0.1304596447788805 0.5931025641949776 0.3864714808601779 0.2322567998536359 0.3752357810707608 0.9664149205030123 0.3685019363887334 0.3228070549950000 0.9650046818111550 0.7124595721093651 0.6623036167699723 0.2169579654607687 0.6999480661080486 0.3413898234711934 0.2157772592122081 0.7618293150806560 0.6606703964492756 0.2864349328913452 0.7857541702033936 0.3568308300096035 0.2738109506498679 0.2150303215109389 0.9626792345214130 0.4228317007471336 0.2784615280385405 0.0688362696249235 0.3678572673501851 0.0672698768313025 0.9226262778015607 0.4181337944826407 0.1565763654123577 0.0883355046771730 0.4079470649231192 0.8188652984862911 0.6719995218802811 0.3709452169390634 0.7791162645053433 0.4006273639317591 0.3927129631128918 0.6593668615062666 0.6837619714549085 0.3701393575003358 0.6176338251013286 0.4047628251646632 0.3976571005977584 0.1059144035824913 0.6230392868114986 0.2534072033194951 0.0143456748491119 0.3730736695585574 0.2833274434937048 0.1366878580591067 0.6935651829126768 0.2976094502282624 0.1220473098168715 0.3067467378387753 0.3029183961330398 0.2519350153790095 0.4670149060609385 0.0906502510095938 0.3982581783923906 0.4811976346688268 0.1198170933787841 0.8460448082919272 0.9819948913988013 0.0638982897914817 0.7445403552211197 0.9068974358050224 0.0466035191398175 0.6427432001463642 0.1247642189292389 0.4666600794969902 0.5064980636112669 0.1771929450050001 0.4680703181888475 0.1750519338919511 0.1586101765288065 0.2172977407877942 0.1625404278906354 0.8376963832300277 0.2161170345392336 0.0892458297966065 0.1431691699903965 0.1592640493501348 0.1131706849193438 0.8393296035507244 0.1466400671086570 0.5965384719614599 0.4311637303750765 0.0652177326498170 0.6599696784890604 0.5373207654785870 0.0102432992528618 0.7184236345876355 0.4116644953228271 0.0251279350768757 0.8077301231686973 0.5773737221984393 0.0149412055173546 0.0958837354946577 0.0993726360682409 0.0403620368871034 0.0561347015137093 0.8280004781197189 0.0621297830609316 0.2573661748986718 0.0952371748353369 0.0354178994022438 0.2156331384937340 0.8162380285450915 0.0629356424996662 0.8606543251508888 0.1269263304414422 0.1497475565062976 0.7690855964175086 0.8769607131885014 0.1796677966804999 0.7529526901831284 0.1932532621612246 0.1301566038669627 0.7383121419408931 0.8064348170873232 0.1354655497717400 0.6230649846209900 0.0329850939390614 0.3424247489904013 0.4767418216076094 0.0188023653311731 0.3132579066212181 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00