#MD System 2.0

@Title Kainite_XRD_1.cif_P1 (1 0 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 {} {0.737713984192 0.5 0.525120287108} Mg1 1 0.0 1
12 {} {0.234777221872 0 0.519097628611} Mg2 2 0.0 1
12 {} {0.513046714961 0.23695083865 0.522173537615} Mg3 3 0.0 1
12 {} {0.513046714961 0.76304916135 0.522173537615} Mg4 4 0.0 1
16 {} {0.755067979547 0.326114374134 0.574228061788} S1 5 0.0 1
16 {} {0.755067979547 0.673885625866 0.574228061788} S2 6 0.0 1
16 {} {0.24876901554 0.169888859712 0.572490706559} S3 7 0.0 1
16 {} {0.24876901554 0.830111140288 0.572490706559} S4 8 0.0 1
8 {} {0.180689447288 0.246860987016 0.555503672543} O1 9 0.0 1
8 {} {0.180689447288 0.753139012984 0.555503672543} O2 10 0.0 1
8 {} {0.676538912696 0.252113257635 0.558515922193} O3 11 0.0 1
8 {} {0.676538912696 0.747886742365 0.558515922193} O4 12 0.0 1
8 {} {0.897008424319 0.324374603646 0.556486860723} O5 13 0.0 1
8 {} {0.897008424319 0.675625396354 0.556486860723} O6 14 0.0 1
8 {} {0.680563301233 0.403561745343 0.559625607064} O7 15 0.0 1
8 {} {0.680563301233 0.596438254657 0.559625607064} O8 16 0.0 1
8 {} {0.172313079453 0.09555192517 0.554213810254} O9 17 0.0 1
8 {} {0.172313079453 0.90444807483 0.554213810254} O10 18 0.0 1
8 {} {0.39540938297 0.168630322934 0.558643914728} O11 19 0.0 1
8 {} {0.39540938297 0.831369677066 0.558643914728} O12 20 0.0 1
8 {} {0.761020338301 0.324959050558 0.616077323954} O13 21 0.0 1
8 {} {0.761020338301 0.675040949442 0.616077323954} O14 22 0.0 1
8 {} {0.237754967925 0.167342301857 0.614115770209} O15 23 0.0 1
8 {} {0.237754967925 0.832657698143 0.614115770209} O16 24 0.0 1
8 {} {0.432199111418 0 0.540511221423} O17 25 0.0 1
8 {} {0.41697394978 0.348822506266 0.539645971091} O18 26 0.0 1
8 {} {0.41697394978 0.651177493734 0.539645971091} O19 27 0.0 1
8 {} {0.919508258148 0.146223782546 0.538448808961} O20 28 0.0 1
8 {} {0.919508258148 0.853776217454 0.538448808961} O21 29 0.0 1
1 {} {0.445502216393 0 0.56839149861} H1 30 0.0 1
1 {} {0.523732022311 0 0.528696864531} H2 31 0.0 1
1 {} {0.334544880791 0.331958471413 0.554671161502} H5 32 0.0 1
1 {} {0.334544880791 0.668041528587 0.554671161502} H6 33 0.0 1
1 {} {0.487930916853 0.374926989869 0.556450129805} H7 34 0.0 1
1 {} {0.487930916853 0.625073010131 0.556450129805} H8 35 0.0 1
1 {} {0.864964061822 0.163491978037 0.561052638488} H9 36 0.0 1
1 {} {0.864964061822 0.836508021963 0.561052638488} H10 37 0.0 1
1 {} {0.00732422288599 0.117568442386 0.548047146241} H11 38 0.0 1
1 {} {0.00732422288599 0.882431557614 0.548047146241} H12 39 0.0 1
19 {} {0.835578170139 0.5 0.044030307937} K1 40 0.0 1
19 {} {0.469250767881 0.5 0.116650937622} K2 41 0.0 1
19 {} {0.575458097483 0.820227592911 0.12656737989} K3 42 0.0 1
19 {} {0.575458097483 0.179772407089 0.12656737989} K4 43 0.0 1
12 {} {0.921079484687 0.757837292943 0.091815247035} Mg5 44 0.0 1
12 {} {0.921079484687 0.242162707057 0.091815247035} Mg6 45 0.0 1
12 {} {0.122804410659 0.7551766711 0.231972727823} Mg7 46 0.0 1
12 {} {0.122804410659 0.2448233289 0.231972727823} Mg8 47 0.0 1
16 {} {0.878678903345 0.832366184177 0.176565045262} S5 48 0.0 1
16 {} {0.878678903345 0.167633815823 0.176565045262} S6 49 0.0 1
16 {} {0.386020794324 0.671210335032 0.170767383118} S7 50 0.0 1
16 {} {0.386020794324 0.328789664968 0.170767383118} S8 51 0.0 1
17 {} {0.129489178565 0.5 0.0977963607377} Cl4 52 0.0 1
17 {} {0.779063934843 0.5 0.14353338203} Cl5 53 0.0 1
17 {} {0.280606237826 0.879975864471 0.106755138871} Cl6 54 0.0 1
17 {} {0.280606237826 0.120024135529 0.106755138871} Cl7 55 0.0 1
8 {} {0.47407722339 0.737372712284 0.188460644168} O22 56 0.0 1
8 {} {0.47407722339 0.262627287716 0.188460644168} O23 57 0.0 1
8 {} {0.96908721766 0.762517138335 0.188254544454} O24 58 0.0 1
8 {} {0.96908721766 0.237482861665 0.188254544454} O25 59 0.0 1
8 {} {0.735567166874 0.821682027591 0.190333101329} O26 60 0.0 1
8 {} {0.735567166874 0.178317972409 0.190333101329} O27 61 0.0 1
8 {} {0.940248139219 0.913391698863 0.189130439241} O28 62 0.0 1
8 {} {0.940248139219 0.0866083011373 0.189130439241} O29 63 0.0 1
8 {} {0.428936313913 0.58811554786 0.185673419802} O30 64 0.0 1
8 {} {0.428936313913 0.41188445214 0.185673419802} O31 65 0.0 1
8 {} {0.236189543876 0.689616312832 0.179579606327} O32 66 0.0 1
8 {} {0.236189543876 0.310383687168 0.179579606327} O33 67 0.0 1
8 {} {0.874150622954 0.836976072027 0.132525223738} O34 68 0.0 1
8 {} {0.874150622954 0.163023927973 0.132525223738} O35 69 0.0 1
8 {} {0.407554665777 0.671472640613 0.127939489151} O36 70 0.0 1
8 {} {0.407554665777 0.328527359387 0.127939489151} O37 71 0.0 1
8 {} {0.177022545457 0.5 0.201719949012} O38 72 0.0 1
8 {} {0.810421669822 0.652363414533 0.0926740441775} O39 73 0.0 1
8 {} {0.810421669822 0.347636585467 0.0926740441775} O40 74 0.0 1
8 {} {0.20953923461 0.863460949301 0.206952935174} O41 75 0.0 1
8 {} {0.20953923461 0.136539050699 0.206952935174} O42 76 0.0 1
8 {} {0.733362369493 0.643802221598 0.211776974065} O43 77 0.0 1
8 {} {0.733362369493 0.356197778402 0.211776974065} O44 78 0.0 1
8 {} {0.0793195411234 0.68850848759 0.115296217618} O45 79 0.0 1
8 {} {0.0793195411234 0.31149151241 0.115296217618} O46 80 0.0 1
8 {} {0.287234552211 0.5 0.0204449452271} O47 81 0.0 1
1 {} {0.160425621675 0.5 0.173903574517} H15 82 0.0 1
1 {} {0.0862823556755 0.5 0.214359907715} H16 83 0.0 1
1 {} {0.721271445572 0.646726549593 0.0771845937694} H17 84 0.0 1
1 {} {0.721271445572 0.353273450407 0.0771845937694} H18 85 0.0 1
1 {} {0.808703524418 0.608612748874 0.113294541337} H19 86 0.0 1
1 {} {0.808703524418 0.391387251126 0.113294541337} H20 87 0.0 1
1 {} {0.264817776709 0.848995742182 0.184175489753} H21 88 0.0 1
1 {} {0.264817776709 0.151004257818 0.184175489753} H22 89 0.0 1
1 {} {0.125676124575 0.892571162179 0.197496260926} H23 90 0.0 1
1 {} {0.125676124575 0.107428837821 0.197496260926} H24 91 0.0 1
1 {} {0.8345595968 0.650052641101 0.211200997601} H25 92 0.0 1
1 {} {0.8345595968 0.349947358899 0.211200997601} H26 93 0.0 1
1 {} {0.708117200342 0.602682100474 0.192188679355} H27 94 0.0 1
1 {} {0.708117200342 0.397317899526 0.192188679355} H28 95 0.0 1
1 {} {0.0749669628377 0.627144560766 0.113295981894} H29 96 0.0 1
1 {} {0.0749669628377 0.372855439234 0.113295981894} H30 97 0.0 1
1 {} {0.132461483489 0.698293080348 0.140148165239} H31 98 0.0 1
1 {} {0.132461483489 0.301706919652 0.140148165239} H32 99 0.0 1
1 {} {0.25524019644 0.5 0.0476097525933} H33 100 0.0 1
1 {} {0.389114555258 0.5 0.0206935480745} H34 101 0.0 1
19 {} {0.998341304609 0 0.117932143756} K5 102 0.0 1
19 {} {0.737083962899 0 0.344184464733} K6 103 0.0 1
19 {} {0.879590110651 0.5 0.413065218392} K7 104 0.0 1
19 {} {0.351419956026 0 0.409615654994} K8 105 0.0 1
19 {} {0.353835732205 0 0.036896405887} K9 106 0.0 1
19 {} {0.249501291296 0.5 0.33817898758} K10 107 0.0 1
19 {} {0.461044048878 0.310809803703 0.412948218688} K11 108 0.0 1
19 {} {0.461044048878 0.689190196297 0.412948218688} K12 109 0.0 1
19 {} {0.28653555996 0.314813678343 0.0581714435871} K13 110 0.0 1
19 {} {0.28653555996 0.685186321657 0.0581714435871} K14 111 0.0 1
19 {} {0.169598163572 0.800569774476 0.348637982508} K15 112 0.0 1
19 {} {0.169598163572 0.199430225524 0.348637982508} K16 113 0.0 1
12 {} {0.880036665766 0 0.233778043485} Mg9 114 0.0 1
12 {} {0.380126855403 0.5 0.228570986204} Mg10 115 0.0 1
12 {} {0.809701286392 0.254537016862 0.378947021634} Mg11 116 0.0 1
12 {} {0.809701286392 0.745462983138 0.378947021634} Mg12 117 0.0 1
12 {} {0.0177667797053 0.259048007193 0.519758548811} Mg13 118 0.0 1
12 {} {0.0177667797053 0.740951992807 0.519758548811} Mg14 119 0.0 1
12 {} {0.618748747233 0.745757913871 0.233253269409} Mg15 120 0.0 1
12 {} {0.618748747233 0.254242086129 0.233253269409} Mg16 121 0.0 1
16 {} {0.76224671889 0.331566275204 0.46480522805} S9 122 0.0 1
16 {} {0.76224671889 0.668433724796 0.46480522805} S10 123 0.0 1
16 {} {0.868516321151 0.82778959906 0.286278093169} S11 124 0.0 1
16 {} {0.868516321151 0.17221040094 0.286278093169} S12 125 0.0 1
16 {} {0.264362575419 0.170730086962 0.46063278787} S13 126 0.0 1
16 {} {0.264362575419 0.829269913038 0.46063278787} S14 127 0.0 1
16 {} {0.363178601552 0.669990661745 0.283411243861} S15 128 0.0 1
16 {} {0.363178601552 0.330009338255 0.283411243861} S16 129 0.0 1
17 {} {0.0177300379963 0 0.392771377555} Cl8 130 0.0 1
17 {} {0.673154028549 0 0.0574484340741} Cl9 131 0.0 1
17 {} {0.588549092989 0.5 0.344764558176} Cl10 132 0.0 1
17 {} {0.666018405782 0 0.434184397134} Cl11 133 0.0 1
17 {} {0.0410512623887 0 0.0275259465301} Cl12 134 0.0 1
17 {} {0.935744294194 0.5 0.300081356903} Cl13 135 0.0 1
17 {} {0.161398139178 0.387853320558 0.407378141346} Cl14 136 0.0 1
17 {} {0.161398139178 0.612146679442 0.407378141346} Cl15 137 0.0 1
17 {} {0.583746615246 0.369293791065 0.037339184136} Cl16 138 0.0 1
17 {} {0.583746615246 0.630706208935 0.037339184136} Cl17 139 0.0 1
17 {} {0.458316293167 0.887703067313 0.33133156036} Cl18 140 0.0 1
17 {} {0.458316293167 0.112296932687 0.33133156036} Cl19 141 0.0 1
8 {} {0.366870955094 0.229855643955 0.477226949407} O48 142 0.0 1
8 {} {0.366870955094 0.770144356045 0.477226949407} O49 143 0.0 1
8 {} {0.285592087931 0.741473080097 0.266396997372} O50 144 0.0 1
8 {} {0.285592087931 0.258526919903 0.266396997372} O51 145 0.0 1
8 {} {0.859766765881 0.265297257853 0.476139557594} O52 146 0.0 1
8 {} {0.859766765881 0.734702742147 0.476139557594} O53 147 0.0 1
8 {} {0.783619074922 0.758438021188 0.270323460887} O54 148 0.0 1
8 {} {0.783619074922 0.241561978812 0.270323460887} O55 149 0.0 1
8 {} {0.619121987815 0.313967633424 0.477306373745} O56 150 0.0 1
8 {} {0.619121987815 0.686032366576 0.477306373745} O57 151 0.0 1
8 {} {0.0150908951165 0.81789697024 0.273200936143} O58 152 0.0 1
8 {} {0.0150908951165 0.18210302976 0.273200936143} O59 153 0.0 1
8 {} {0.811071303572 0.414638874203 0.479334866153} O60 154 0.0 1
8 {} {0.811071303572 0.585361125797 0.479334866153} O61 155 0.0 1
8 {} {0.812363627479 0.909222946253 0.270477994766} O62 156 0.0 1
8 {} {0.812363627479 0.090777053747 0.270477994766} O63 157 0.0 1
8 {} {0.289773057862 0.0851338064914 0.475080295228} O64 158 0.0 1
8 {} {0.289773057862 0.914866193509 0.475080295228} O65 159 0.0 1
8 {} {0.306528938149 0.590742526395 0.264781872525} O66 160 0.0 1
8 {} {0.306528938149 0.409257473605 0.264781872525} O67 161 0.0 1
8 {} {0.11937827194 0.198990361756 0.47035461329} O68 162 0.0 1
8 {} {0.11937827194 0.801009638244 0.47035461329} O69 163 0.0 1
8 {} {0.513007768664 0.678657765689 0.272892403975} O70 164 0.0 1
8 {} {0.513007768664 0.321342234311 0.272892403975} O71 165 0.0 1
8 {} {0.762737753497 0.338781450643 0.420665205176} O72 166 0.0 1
8 {} {0.762737753497 0.661218549357 0.420665205176} O73 167 0.0 1
8 {} {0.860468676285 0.831578210461 0.328706356052} O76 168 0.0 1
8 {} {0.860468676285 0.168421789539 0.328706356052} O77 169 0.0 1
8 {} {0.280957839893 0.170019264819 0.417547580857} O78 170 0.0 1
8 {} {0.280957839893 0.829980735181 0.417547580857} O79 171 0.0 1
8 {} {0.343911103461 0.665114885893 0.325166331253} O82 172 0.0 1
8 {} {0.343911103461 0.334885114107 0.325166331253} O83 173 0.0 1
8 {} {0.0328867901608 0 0.493658593363} O84 174 0.0 1
8 {} {0.570024096796 0.5 0.255102252617} O85 175 0.0 1
8 {} {0.681847520861 0 0.20945039758} O86 176 0.0 1
8 {} {0.0794125769273 0 0.250967257922} O87 177 0.0 1
8 {} {0.5452538363 0.5 0.499965006636} O88 178 0.0 1
8 {} {0.938296828181 0.5 0.547416403757} O89 179 0.0 1
8 {} {0.65629403978 0.171441415994 0.393834540539} O90 180 0.0 1
8 {} {0.65629403978 0.828558584006 0.393834540539} O91 181 0.0 1
8 {} {0.0582145666834 0.183948676076 0.0561185238974} O92 182 0.0 1
8 {} {0.0582145666834 0.816051323924 0.0561185238974} O93 183 0.0 1
8 {} {0.955520589161 0.668710771959 0.351239582681} O94 184 0.0 1
8 {} {0.955520589161 0.331289228041 0.351239582681} O95 185 0.0 1
8 {} {0.0867019282054 0.376276291139 0.49856740929} O96 186 0.0 1
8 {} {0.0867019282054 0.623723708861 0.49856740929} O97 187 0.0 1
8 {} {0.544818534661 0.861660623106 0.249063496693} O98 188 0.0 1
8 {} {0.544818534661 0.138339376894 0.249063496693} O99 189 0.0 1
8 {} {0.633847825422 0.132594676238 0.503925552132} O100 190 0.0 1
8 {} {0.633847825422 0.867405323762 0.503925552132} O101 191 0.0 1
8 {} {0.0464554270811 0.637210899057 0.244132709768} O102 192 0.0 1
8 {} {0.0464554270811 0.362789100943 0.244132709768} O103 193 0.0 1
8 {} {0.961690599208 0.18892928598 0.405785337706} O104 194 0.0 1
8 {} {0.961690599208 0.81107071402 0.405785337706} O105 195 0.0 1
8 {} {0.754323785566 0.196436349364 0.0574610905776} O106 196 0.0 1
8 {} {0.754323785566 0.803563650636 0.0574610905776} O107 197 0.0 1
8 {} {0.65825908222 0.687192307787 0.345640700627} O108 198 0.0 1
8 {} {0.65825908222 0.312807692213 0.345640700627} O109 199 0.0 1
8 {} {0.555204396915 0 0.138232932761} O110 200 0.0 1
8 {} {0.173632070002 0 0.31894372466} O111 201 0.0 1
8 {} {0.447794735569 0.5 0.425400635275} O112 202 0.0 1
1 {} {0.0165699793533 0 0.465810279809} H35 203 0.0 1
1 {} {0.57292353478 0.5 0.284007277097} H36 204 0.0 1
1 {} {0.943130633879 0 0.506612678521} H37 205 0.0 1
1 {} {0.667112846361 0.5 0.247305435679} H38 206 0.0 1
1 {} {0.647132703084 0 0.182614286244} H39 207 0.0 1
1 {} {0.111613952803 0 0.27947304205} H40 208 0.0 1
1 {} {0.516000740442 0.5 0.472699650987} H41 209 0.0 1
1 {} {0.941554536935 0.5 0.575571079251} H42 210 0.0 1
1 {} {0.598313894848 0 0.225475559998} H43 211 0.0 1
1 {} {0.165478838245 0 0.236303729196} H44 212 0.0 1
1 {} {0.461244476533 0.5 0.515614373712} H45 213 0.0 1
1 {} {0.0338535809018 0.5 0.538162070084} H46 214 0.0 1
1 {} {0.585699974502 0.154914061475 0.374111344442} H47 215 0.0 1
1 {} {0.585699974502 0.845085938525 0.374111344442} H48 216 0.0 1
1 {} {0.137048107143 0.162070198831 0.0728763975139} H49 217 0.0 1
1 {} {0.137048107143 0.837929801169 0.0728763975139} H50 218 0.0 1
1 {} {0.0275754502595 0.646836524689 0.370250065648} H51 219 0.0 1
1 {} {0.0275754502595 0.353163475311 0.370250065648} H52 220 0.0 1
1 {} {0.666609656661 0.123055995866 0.411409453109} H53 221 0.0 1
1 {} {0.666609656661 0.876944004134 0.411409453109} H54 222 0.0 1
1 {} {0.0323263974986 0.1335396234 0.0407583782589} H55 223 0.0 1
1 {} {0.0323263974986 0.8664603766 0.0407583782589} H56 224 0.0 1
1 {} {0.927179724253 0.620860044299 0.33533016389} H57 225 0.0 1
1 {} {0.927179724253 0.379139955701 0.33533016389} H58 226 0.0 1
1 {} {0.131684461486 0.371461629734 0.473137438815} H59 227 0.0 1
1 {} {0.131684461486 0.628538370266 0.473137438815} H60 228 0.0 1
1 {} {0.49243204747 0.862959956586 0.274240976908} H61 229 0.0 1
1 {} {0.49243204747 0.137040043414 0.274240976908} H62 230 0.0 1
1 {} {0.994027518628 0.400466386174 0.493096201029} H63 231 0.0 1
1 {} {0.994027518628 0.599533613826 0.493096201029} H64 232 0.0 1
1 {} {0.634050839511 0.888302171151 0.256388371484} H65 233 0.0 1
1 {} {0.634050839511 0.111697828849 0.256388371484} H66 234 0.0 1
1 {} {0.732807474358 0.141101459539 0.510059662871} H67 235 0.0 1
1 {} {0.732807474358 0.858898540461 0.510059662871} H68 236 0.0 1
1 {} {0.983954730401 0.620048035067 0.265344280761} H69 237 0.0 1
1 {} {0.983954730401 0.379951964933 0.265344280761} H70 238 0.0 1
1 {} {0.630025885164 0.0988806824699 0.480352622525} H71 239 0.0 1
1 {} {0.630025885164 0.90111931753 0.480352622525} H72 240 0.0 1
1 {} {0.13600559236 0.608663795725 0.250799811239} H73 241 0.0 1
1 {} {0.13600559236 0.391336204275 0.250799811239} H74 242 0.0 1
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