#MD System 2.0

@Title Kainite_XRD_1.cif_P1 (1 1 0)  surface

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
12 {} {0.278723574746 0.599094212851 0.345614959991} Mg1 1 0.0 -1
16 {} {0.514620192884 0.509876832377 0.338126743072} S2 2 0.0 -1
8 {} {0.610318697993 0.554161943032 0.31958402733} O1 3 0.0 -1
8 {} {0.564360145783 0.494758426205 0.386965254916} O4 4 0.0 -1
8 {} {0.370011628381 0.527059980267 0.341575317216} O5 5 0.0 -1
8 {} {0.518051362987 0.464059523484 0.306612388929} O6 6 0.0 -1
8 {} {0.84585140773 0.538211221596 0.383827569734} O9 7 0.0 -1
1 {} {0.922986158589 0.519675028781 0.371290623691} H5 8 0.0 -1
1 {} {0.765574073852 0.511960631007 0.388160492764} H6 9 0.0 -1
19 {} {0.950150380204 0.316698766429 0.321730956296} K1 10 0.0 -1
19 {} {0.586127703444 0.385394419547 0.372693317241} K2 11 0.0 -1
19 {} {0.647044691328 0.25979078245 0.507608599105} K3 12 0.0 -1
19 {} {0.352955308672 0.740209217551 0.407819972324} K4 13 0.0 -1
19 {} {0.608537726585 0.10576292348 0.679008600169} K5 14 0.0 -1
12 {} {1 0.25 0.457714285714} Mg2 15 0.0 -1
12 {} {0.278723574746 0.0990942128502 0.345614959991} Mg3 16 0.0 -1
12 {} {0.228683462002 0.398933761873 0.568350650403} Mg4 17 0.0 -1
12 {} {0.771316537998 0.601066238129 0.347077921026} Mg5 18 0.0 -1
16 {} {0.958720107112 0.310756911343 0.561286481943} S4 19 0.0 -1
16 {} {0.041279892888 0.689243088659 0.354142089485} S5 20 0.0 -1
16 {} {0.924491134764 0.173841021952 0.713644527712} S6 21 0.0 -1
16 {} {0.514620192884 0.00987683237558 0.338126743072} S7 22 0.0 -1
16 {} {0.480404780251 0.373015181844 0.490424432618} S8 23 0.0 -1
16 {} {0.519595219749 0.626984818158 0.425004138811} S10 24 0.0 -1
17 {} {0.24759862637 0.375041373295 0.36501283593} Cl1 25 0.0 -1
17 {} {0.904238072194 0.414743856479 0.394466406672} Cl2 26 0.0 -1
17 {} {0.346323628559 0.234831581177 0.549364644727} Cl3 27 0.0 -1
17 {} {0.653676371441 0.765168418824 0.366063926701} Cl5 28 0.0 -1
17 {} {0.324065670232 0.145799747867 0.648437996947} Cl6 29 0.0 -1
8 {} {0.610318697993 0.0541619430311 0.31958402733} O11 30 0.0 -1
8 {} {0.562247264185 0.361876207798 0.533556846559} O12 31 0.0 -1
8 {} {0.437752735815 0.638123792204 0.381871724869} O13 32 0.0 -1
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8 {} {0.00854373596498 0.161172533809 0.755550629995} O18 35 0.0 -1
8 {} {0.817229532879 0.328828385499 0.56624953679} O20 36 0.0 -1
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8 {} {0.564360145783 0.994758426206 0.386965254916} O26 42 0.0 -1
8 {} {0.546334968704 0.422657717889 0.467197893123} O27 43 0.0 -1
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8 {} {0.953843851188 0.263763689292 0.529701351385} O32 48 0.0 -1
8 {} {0.0461561488123 0.736236310709 0.385727220044} O33 49 0.0 -1
8 {} {0.920498371549 0.130381770739 0.678126844894} O34 50 0.0 -1
8 {} {0.518051362987 0.964059523485 0.306612388929} O35 51 0.0 -1
8 {} {0.484503341306 0.329867436758 0.455939426005} O36 52 0.0 -1
8 {} {0.515496658694 0.670132563244 0.459489145424} O37 53 0.0 -1
8 {} {0.299361029396 0.472512611626 0.437322570308} O39 54 0.0 -1
8 {} {0.858848068888 0.303368464915 0.438849493204} O42 55 0.0 -1
8 {} {0.141151931112 0.696631535086 0.476579078224} O43 56 0.0 -1
8 {} {0.793088546998 0.0403303773557 0.731554519353} O44 57 0.0 -1
8 {} {0.288323305234 0.333662960187 0.60422533314} O46 58 0.0 -1
8 {} {0.711676694766 0.666337039815 0.311203238289} O47 59 0.0 -1
8 {} {0.26108916619 0.22472640401 0.725448376613} O48 60 0.0 -1
8 {} {0.84585140773 0.0382112215953 0.383827569734} O49 61 0.0 -1
8 {} {0.818289771465 0.427964676539 0.506508350125} O50 62 0.0 -1
8 {} {0.181710228535 0.572035323463 0.408920221304} O51 63 0.0 -1
8 {} {0.16229949273 0.307275822394 0.45306635162} O53 64 0.0 -1
8 {} {0.83770050727 0.692724177608 0.462362219809} O54 65 0.0 -1
8 {} {0.0995912745763 0.0564429497783 0.732189588935} O55 66 0.0 -1
8 {} {0.374917098436 0.29425036083 0.305077446255} O56 67 0.0 -1
1 {} {0.283568179301 0.442793190868 0.415275005739} H9 68 0.0 -1
1 {} {0.207504311552 0.483414621597 0.44541030428} H10 69 0.0 -1
1 {} {0.786581313361 0.289775420141 0.415194040919} H13 70 0.0 -1
1 {} {0.213418686639 0.71022457986 0.50023453051} H14 71 0.0 -1
1 {} {0.717163039902 0.0121023263036 0.72418469298} H15 72 0.0 -1
1 {} {0.885241897106 0.340154785008 0.428802024946} H17 73 0.0 -1
1 {} {0.114758102894 0.659845214994 0.486626546482} H18 74 0.0 -1
1 {} {0.809416377217 0.0368527054501 0.766312246188} H19 75 0.0 -1
1 {} {0.335614388084 0.308639305861 0.584088551177} H21 76 0.0 -1
1 {} {0.664385611916 0.691360694141 0.331340020252} H22 77 0.0 -1
1 {} {0.307956230677 0.198006676231 0.707198960964} H23 78 0.0 -1
1 {} {0.195662481219 0.315023306717 0.610684571052} H25 79 0.0 -1
1 {} {0.804337518782 0.684976693285 0.304744000377} H26 80 0.0 -1
1 {} {0.173897642612 0.227963952291 0.707562976949} H27 81 0.0 -1
1 {} {0.922986158589 0.01967502878 0.371290623691} H28 82 0.0 -1
1 {} {0.895751879421 0.410737912107 0.492514290882} H29 83 0.0 -1
1 {} {0.104248120579 0.589262087895 0.422914280546} H30 84 0.0 -1
1 {} {0.765574073852 0.0119606310064 0.388160492764} H31 85 0.0 -1
1 {} {0.744430684387 0.427387073146 0.482272739758} H32 86 0.0 -1
1 {} {0.255569315613 0.572612926856 0.43315583167} H33 87 0.0 -1
1 {} {0.177454672989 0.329146698063 0.423924735937} H35 88 0.0 -1
1 {} {0.822545327011 0.670853301939 0.491503835492} H36 89 0.0 -1
1 {} {0.102515884177 0.0293915428156 0.757487990474} H37 90 0.0 -1
1 {} {0.207394312699 0.329019122206 0.478550360106} H39 91 0.0 -1
1 {} {0.792605687301 0.670980877796 0.436878211323} H40 92 0.0 -1
1 {} {0.147207762309 0.0882729206447 0.746449293971} H41 93 0.0 -1
1 {} {0.339937973079 0.321978197368 0.325647539846} H42 94 0.0 -1
1 {} {0.47725435689 0.296393010435 0.306666986172} H43 95 0.0 -1
19 {} {0.950150380204 0.816698766429 0.321730956296} K6 96 0.0 -1
19 {} {0.0498496197955 0.683301233573 0.593697615133} K7 97 0.0 -1
19 {} {0.586127703444 0.885394419547 0.372693317241} K9 98 0.0 -1
19 {} {0.413872296556 0.614605580455 0.542735254188} K10 99 0.0 -1
19 {} {0.647044691328 0.759790782451 0.507608599105} K11 100 0.0 -1
19 {} {0.352955308672 0.24020921755 0.407819972324} K12 101 0.0 -1
19 {} {0.608537726585 0.605762923481 0.679008600169} K13 102 0.0 -1
19 {} {0.291462273415 0.494237076521 0.681534256978} K14 103 0.0 -1
12 {} {0.95 0.3 0.680271428571} Mg6 104 0.0 -1
12 {} {0.5 0.500000000001 0.457714285714} Mg7 105 0.0 -1
12 {} {1 0.750000000001 0.457714285714} Mg8 106 0.0 -1
12 {} {0.95 0.550000000001 0.680271428571} Mg9 107 0.0 -1
12 {} {0.228683462002 0.898933761873 0.568350650403} Mg10 108 0.0 -1
12 {} {0.771316537998 0.101066238128 0.347077921026} Mg11 109 0.0 -1
12 {} {0.721276425254 0.400905787151 0.569813611438} Mg12 110 0.0 -1
16 {} {0.958720107112 0.810756911343 0.561286481943} S11 111 0.0 -1
16 {} {0.0412798928881 0.189243088658 0.354142089485} S12 112 0.0 -1
16 {} {0.924491134765 0.673841021953 0.713644527712} S13 113 0.0 -1
16 {} {0.975508865235 0.426158978049 0.64689832943} S14 114 0.0 -1
16 {} {0.480404780251 0.873015181844 0.490424432618} S15 115 0.0 -1
16 {} {0.519595219749 0.126984818157 0.425004138811} S17 116 0.0 -1
16 {} {0.485379807116 0.490123167625 0.577301828356} S18 117 0.0 -1
17 {} {0.24759862637 0.875041373295 0.36501283593} Cl7 118 0.0 -1
17 {} {0.75240137363 0.624958626707 0.550415735499} Cl8 119 0.0 -1
17 {} {0.904238072194 0.91474385648 0.394466406672} Cl9 120 0.0 -1
17 {} {0.0957619278063 0.585256143523 0.520962164757} Cl10 121 0.0 -1
17 {} {0.346323628559 0.734831581178 0.549364644727} Cl11 122 0.0 -1
17 {} {0.653676371441 0.265168418823 0.366063926701} Cl13 123 0.0 -1
17 {} {0.324065670232 0.645799747868 0.648437996947} Cl14 124 0.0 -1
17 {} {0.575934329768 0.454200252134 0.712104860195} Cl15 125 0.0 -1
8 {} {0.562247264185 0.861876207798 0.533556846559} O57 126 0.0 -1
8 {} {0.437752735815 0.138123792203 0.381871724869} O58 127 0.0 -1
8 {} {0.389681302007 0.44583805697 0.595844544099} O60 128 0.0 -1
8 {} {0.0566040264283 0.853413695664 0.541627411386} O61 129 0.0 -1
8 {} {0.943395973572 0.146586304337 0.373801160042} O62 130 0.0 -1
8 {} {0.00854373596493 0.66117253381 0.755550629995} O63 131 0.0 -1
8 {} {0.891456264035 0.438827466192 0.604992227148} O64 132 0.0 -1
8 {} {0.817229532879 0.828828385499 0.56624953679} O65 133 0.0 -1
8 {} {0.182770467121 0.171171614502 0.349179034638} O66 134 0.0 -1
8 {} {0.780724273941 0.682807349743 0.728739659367} O67 135 0.0 -1
8 {} {0.119275726059 0.417192650259 0.631803197775} O68 136 0.0 -1
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8 {} {0.989565733399 0.206706316964 0.306504484311} O70 138 0.0 -1
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8 {} {0.546334968704 0.92265771789 0.467197893123} O74 141 0.0 -1
8 {} {0.453665031296 0.0773422821125 0.448230678305} O75 142 0.0 -1
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8 {} {0.333289299977 0.880170666652 0.505031646987} O77 144 0.0 -1
8 {} {0.666710700023 0.119829333349 0.410396924442} O78 145 0.0 -1
8 {} {0.62998837162 0.472940019735 0.573853254213} O79 146 0.0 -1
8 {} {0.953843851188 0.763763689293 0.529701351385} O80 147 0.0 -1
8 {} {0.0461561488124 0.236236310708 0.385727220044} O81 148 0.0 -1
8 {} {0.920498371549 0.63038177074 0.678126844894} O82 149 0.0 -1
8 {} {0.979501628451 0.469618229262 0.682416012248} O83 150 0.0 -1
8 {} {0.484503341306 0.829867436758 0.455939426005} O84 151 0.0 -1
8 {} {0.515496658694 0.170132563243 0.459489145424} O85 152 0.0 -1
8 {} {0.481948637013 0.535940476518 0.608816182499} O87 153 0.0 -1
8 {} {0.299361029396 0.972512611627 0.437322570308} O88 154 0.0 -1
8 {} {0.700638970604 0.527487388376 0.478106001121} O89 155 0.0 -1
8 {} {0.747521521261 0.778426577321 0.664267030862} O91 156 0.0 -1
8 {} {0.152478478739 0.821573422681 0.696275826285} O92 157 0.0 -1
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8 {} {0.793088546998 0.540330377357 0.731554519353} O95 160 0.0 -1
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8 {} {0.26108916619 0.724726404011 0.725448376613} O99 164 0.0 -1
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8 {} {0.625082901564 0.705749639171 0.610351125174} O110 174 0.0 -1
1 {} {0.283568179301 0.942793190869 0.415275005739} H44 175 0.0 -1
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1 {} {0.235290054976 0.8059947599 0.684718684022} H52 182 0.0 -1
1 {} {0.786581313361 0.789775420142 0.415194040919} H53 183 0.0 -1
1 {} {0.213418686639 0.210224579859 0.50023453051} H54 184 0.0 -1
1 {} {0.717163039902 0.512102326305 0.72418469298} H55 185 0.0 -1
1 {} {0.182836960098 0.587897673697 0.636358164162} H56 186 0.0 -1
1 {} {0.885241897106 0.840154785008 0.428802024946} H57 187 0.0 -1
1 {} {0.114758102894 0.159845214993 0.486626546482} H58 188 0.0 -1
1 {} {0.809416377217 0.536852705451 0.766312246188} H59 189 0.0 -1
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1 {} {0.664385611916 0.19136069414 0.331340020252} H62 192 0.0 -1
1 {} {0.307956230677 0.698006676232 0.707198960964} H63 193 0.0 -1
1 {} {0.592043769323 0.40199332377 0.653343896179} H64 194 0.0 -1
1 {} {0.195662481219 0.815023306717 0.610684571052} H66 195 0.0 -1
1 {} {0.804337518781 0.184976693284 0.304744000377} H67 196 0.0 -1
1 {} {0.173897642612 0.727963952292 0.707562976949} H68 197 0.0 -1
1 {} {0.726102357388 0.37203604771 0.652979880193} H69 198 0.0 -1
1 {} {0.895751879421 0.910737912107 0.492514290882} H71 199 0.0 -1
1 {} {0.104248120579 0.0892620878937 0.422914280546} H72 200 0.0 -1
1 {} {0.0770138414109 0.480324971221 0.544137947738} H73 201 0.0 -1
1 {} {0.744430684387 0.927387073147 0.482272739758} H74 202 0.0 -1
1 {} {0.255569315613 0.0726129268553 0.43315583167} H75 203 0.0 -1
1 {} {0.234425926148 0.488039368995 0.527268078664} H76 204 0.0 -1
1 {} {0.177454672989 0.829146698063 0.423924735937} H77 205 0.0 -1
1 {} {0.822545327011 0.170853301938 0.491503835492} H78 206 0.0 -1
1 {} {0.102515884177 0.529391542817 0.757487990474} H79 207 0.0 -1
1 {} {0.797484115823 0.570608457185 0.603054866668} H80 208 0.0 -1
1 {} {0.207394312699 0.829019122206 0.478550360106} H81 209 0.0 -1
1 {} {0.792605687301 0.170980877795 0.436878211323} H82 210 0.0 -1
1 {} {0.147207762309 0.588272920646 0.746449293971} H83 211 0.0 -1
1 {} {0.752792237691 0.511727079356 0.614093563176} H84 212 0.0 -1
1 {} {0.339937973079 0.821978197368 0.325647539846} H85 213 0.0 -1
1 {} {0.660062026921 0.678021802634 0.589781031582} H86 214 0.0 -1
1 {} {0.47725435689 0.796393010436 0.306666986172} H88 215 0.0 -1
1 {} {0.52274564311 0.703606989566 0.608761585256} H89 216 0.0 -1
19 {} {0.0498496197956 0.183301233572 0.593697615133} K15 217 0.0 -1
19 {} {0.413872296556 0.114605580454 0.542735254188} K17 218 0.0 -1
19 {} {0.291462273415 0.994237076522 0.681534256978} K18 219 0.0 -1
12 {} {0.95 0.800000000001 0.680271428571} Mg13 220 0.0 -1
12 {} {0.5 0 0.457714285714} Mg14 221 0.0 -1
12 {} {0.95 0.0500000000001 0.680271428571} Mg15 222 0.0 -1
12 {} {0.721276425254 0.900905787151 0.569813611438} Mg16 223 0.0 -1
16 {} {0.975508865235 0.92615897805 0.64689832943} S19 224 0.0 -1
16 {} {0.485379807116 0.990123167626 0.577301828356} S20 225 0.0 -1
17 {} {0.75240137363 0.124958626706 0.550415735499} Cl16 226 0.0 -1
17 {} {0.0957619278064 0.0852561435217 0.520962164757} Cl17 227 0.0 -1
17 {} {0.575934329768 0.954200252135 0.712104860195} Cl18 228 0.0 -1
8 {} {0.389681302007 0.945838056971 0.595844544099} O112 229 0.0 -1
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