#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 {} {0.739189982751 0.5 0.525330171641} Mg1 1 0.0 1
12 {} {0.238463255337 0 0.51987018865} Mg2 2 0.0 1
12 {} {0.509777623619 0.239613411618 0.522825862351} Mg3 3 0.0 1
12 {} {0.509777623619 0.760386588382 0.522825862351} Mg4 4 0.0 1
16 {} {0.756390667916 0.325623957176 0.573987225824} S1 5 0.0 1
16 {} {0.756390667916 0.674376042824 0.573987225824} S2 6 0.0 1
16 {} {0.247546577026 0.170325019374 0.572784819802} S3 7 0.0 1
16 {} {0.247546577026 0.829674980626 0.572784819802} S4 8 0.0 1
8 {} {0.179063910987 0.246547522627 0.555260557913} O1 9 0.0 1
8 {} {0.179063910987 0.753452477373 0.555260557913} O2 10 0.0 1
8 {} {0.677207740213 0.251649530407 0.558149705826} O3 11 0.0 1
8 {} {0.677207740213 0.748350469593 0.558149705826} O4 12 0.0 1
8 {} {0.897570706695 0.324134780446 0.555798931694} O5 13 0.0 1
8 {} {0.897570706695 0.675865219554 0.555798931694} O6 14 0.0 1
8 {} {0.681160939876 0.403255084569 0.559733320233} O7 15 0.0 1
8 {} {0.681160939876 0.596744915431 0.559733320233} O8 16 0.0 1
8 {} {0.173554309047 0.0951616624746 0.554679482477} O9 17 0.0 1
8 {} {0.173554309047 0.904838337525 0.554679482477} O10 18 0.0 1
8 {} {0.395062580202 0.170411126357 0.559489684186} O11 19 0.0 1
8 {} {0.395062580202 0.829588873643 0.559489684186} O12 20 0.0 1
8 {} {0.763851649197 0.323991177125 0.615807342837} O13 21 0.0 1
8 {} {0.763851649197 0.676008822875 0.615807342837} O14 22 0.0 1
8 {} {0.235034592022 0.168553464423 0.614425189467} O15 23 0.0 1
8 {} {0.235034592022 0.831446535577 0.614425189467} O16 24 0.0 1
8 {} {0.43391716002 0 0.543495884649} O17 25 0.0 1
8 {} {0.416561659477 0.351273396554 0.540719498783} O18 26 0.0 1
8 {} {0.416561659477 0.648726603446 0.540719498783} O19 27 0.0 1
8 {} {0.917458492531 0.14500338816 0.537022929884} O20 28 0.0 1
8 {} {0.917458492531 0.85499661184 0.537022929884} O21 29 0.0 1
1 {} {0.441222328017 0 0.571555667922} H1 30 0.0 1
1 {} {0.527875598659 0 0.533274750975} H2 31 0.0 1
1 {} {0.333606006557 0.334561911308 0.555561471256} H5 32 0.0 1
1 {} {0.333606006557 0.665438088692 0.555561471256} H6 33 0.0 1
1 {} {0.487975446832 0.376835468879 0.55759090524} H7 34 0.0 1
1 {} {0.487975446832 0.623164531121 0.55759090524} H8 35 0.0 1
1 {} {0.8523441586 0.161955609192 0.557479066411} H9 36 0.0 1
1 {} {0.8523441586 0.838044390808 0.557479066411} H10 37 0.0 1
1 {} {0.000869194413073 0.11686155577 0.548978995783} H11 38 0.0 1
1 {} {0.000869194413073 0.88313844423 0.548978995783} H12 39 0.0 1
19 {} {0.832613444696 0.5 0.0444880141516} K1 40 0.0 1
19 {} {0.466943228571 0.5 0.117552904787} K2 41 0.0 1
19 {} {0.576852758938 0.818860523635 0.126266026003} K3 42 0.0 1
19 {} {0.576852758938 0.181139476365 0.126266026003} K4 43 0.0 1
12 {} {0.921288918722 0.757044582666 0.0918040833212} Mg5 44 0.0 1
12 {} {0.921288918722 0.242955417334 0.0918040833212} Mg6 45 0.0 1
12 {} {0.123901350615 0.754266589105 0.231712805723} Mg7 46 0.0 1
12 {} {0.123901350615 0.245733410895 0.231712805723} Mg8 47 0.0 1
16 {} {0.87960127231 0.832082027601 0.176370577713} S5 48 0.0 1
16 {} {0.87960127231 0.167917972399 0.176370577713} S6 49 0.0 1
16 {} {0.385786156124 0.670761965524 0.171290079424} S7 50 0.0 1
16 {} {0.385786156124 0.329238034476 0.171290079424} S8 51 0.0 1
17 {} {0.127865594143 0.5 0.0974884374144} Cl4 52 0.0 1
17 {} {0.776509109424 0.5 0.144098704912} Cl5 53 0.0 1
17 {} {0.282932100634 0.880416727454 0.106720160339} Cl6 54 0.0 1
17 {} {0.282932100634 0.119583272546 0.106720160339} Cl7 55 0.0 1
8 {} {0.474158306916 0.737197454328 0.188625640221} O22 56 0.0 1
8 {} {0.474158306916 0.262802545672 0.188625640221} O23 57 0.0 1
8 {} {0.969714543886 0.762029346248 0.188066343878} O24 58 0.0 1
8 {} {0.969714543886 0.237970653752 0.188066343878} O25 59 0.0 1
8 {} {0.736400169698 0.821443880361 0.190133105307} O26 60 0.0 1
8 {} {0.736400169698 0.178556119639 0.190133105307} O27 61 0.0 1
8 {} {0.941405507578 0.913045222659 0.188913540287} O28 62 0.0 1
8 {} {0.941405507578 0.0869547773408 0.188913540287} O29 63 0.0 1
8 {} {0.429064445577 0.587963276598 0.1863807154} O30 64 0.0 1
8 {} {0.429064445577 0.412036723402 0.1863807154} O31 65 0.0 1
8 {} {0.23609684707 0.689167795716 0.180278650715} O32 66 0.0 1
8 {} {0.23609684707 0.310832204284 0.180278650715} O33 67 0.0 1
8 {} {0.875244569603 0.836612195364 0.132341754098} O34 68 0.0 1
8 {} {0.875244569603 0.163387804636 0.132341754098} O35 69 0.0 1
8 {} {0.406309582182 0.670682259912 0.128434389954} O36 70 0.0 1
8 {} {0.406309582182 0.329317740088 0.128434389954} O37 71 0.0 1
8 {} {0.178157411224 0.5 0.202533801315} O38 72 0.0 1
8 {} {0.807411613241 0.652827580983 0.0938254041899} O39 73 0.0 1
8 {} {0.807411613241 0.347172419017 0.0938254041899} O40 74 0.0 1
8 {} {0.210852621532 0.862858156578 0.207122064686} O41 75 0.0 1
8 {} {0.210852621532 0.137141843422 0.207122064686} O42 76 0.0 1
8 {} {0.735538211021 0.643759989852 0.212224999415} O43 77 0.0 1
8 {} {0.735538211021 0.356240010148 0.212224999415} O44 78 0.0 1
8 {} {0.0795088065698 0.687563802066 0.115312330853} O45 79 0.0 1
8 {} {0.0795088065698 0.312436197934 0.115312330853} O46 80 0.0 1
8 {} {0.287899515834 0.5 0.0202075435245} O47 81 0.0 1
1 {} {0.161106540591 0.5 0.174743639701} H15 82 0.0 1
1 {} {0.0874313701385 0.5 0.215174802481} H16 83 0.0 1
1 {} {0.719262245798 0.646897513959 0.0779784802586} H17 84 0.0 1
1 {} {0.719262245798 0.353102486041 0.0779784802586} H18 85 0.0 1
1 {} {0.806202523505 0.608417003534 0.11413766406} H19 86 0.0 1
1 {} {0.806202523505 0.391582996466 0.11413766406} H20 87 0.0 1
1 {} {0.267473806929 0.84896594172 0.184523224038} H21 88 0.0 1
1 {} {0.267473806929 0.15103405828 0.184523224038} H22 89 0.0 1
1 {} {0.127281936471 0.891931274905 0.197460474108} H23 90 0.0 1
1 {} {0.127281936471 0.108068725095 0.197460474108} H24 91 0.0 1
1 {} {0.8362394915 0.652666371264 0.212564126069} H25 92 0.0 1
1 {} {0.8362394915 0.347333628736 0.212564126069} H26 93 0.0 1
1 {} {0.715763326125 0.602846045628 0.192039042337} H27 94 0.0 1
1 {} {0.715763326125 0.397153954372 0.192039042337} H28 95 0.0 1
1 {} {0.0764007716612 0.626129908539 0.113153341334} H29 96 0.0 1
1 {} {0.0764007716612 0.373870091461 0.113153341334} H30 97 0.0 1
1 {} {0.131263579843 0.697818843164 0.14029264363} H31 98 0.0 1
1 {} {0.131263579843 0.302181156836 0.14029264363} H32 99 0.0 1
1 {} {0.255316457417 0.5 0.0473184454831} H33 100 0.0 1
1 {} {0.389666139763 0.5 0.0206637949155} H34 101 0.0 1
19 {} {-0.000201445686704 0 0.117813191616} K5 102 0.0 1
19 {} {0.736727328946 0 0.343730875154} K6 103 0.0 1
19 {} {0.877534106824 0.5 0.413061774709} K7 104 0.0 1
19 {} {0.350751210385 0 0.409809688603} K8 105 0.0 1
19 {} {0.355049251143 0 0.0363006075413} K9 106 0.0 1
19 {} {0.247775556121 0.5 0.338579664024} K10 107 0.0 1
19 {} {0.461186047243 0.311199940635 0.412864940338} K11 108 0.0 1
19 {} {0.461186047243 0.688800059365 0.412864940338} K12 109 0.0 1
19 {} {0.287145705217 0.313386294593 0.05833241739} K13 110 0.0 1
19 {} {0.287145705217 0.686613705407 0.05833241739} K14 111 0.0 1
19 {} {0.170293531537 0.800931462554 0.348696840945} K15 112 0.0 1
19 {} {0.170293531537 0.199068537446 0.348696840945} K16 113 0.0 1
12 {} {0.88015801083 0 0.233430437414} Mg9 114 0.0 1
12 {} {0.381004501947 0.5 0.229463443572} Mg10 115 0.0 1
12 {} {0.810014647739 0.254883310763 0.3789403875} Mg11 116 0.0 1
12 {} {0.810014647739 0.745116689237 0.3789403875} Mg12 117 0.0 1
12 {} {0.0171041130719 0.257252792006 0.519301499849} Mg13 118 0.0 1
12 {} {0.0171041130719 0.742747207994 0.519301499849} Mg14 119 0.0 1
12 {} {0.61872473639 0.745732427503 0.233299276068} Mg15 120 0.0 1
12 {} {0.61872473639 0.254267572497 0.233299276068} Mg16 121 0.0 1
16 {} {0.761372494516 0.331707771604 0.464765550698} S9 122 0.0 1
16 {} {0.761372494516 0.668292228396 0.464765550698} S10 123 0.0 1
16 {} {0.869453854546 0.827766558206 0.285913934408} S11 124 0.0 1
16 {} {0.869453854546 0.172233441794 0.285913934408} S12 125 0.0 1
16 {} {0.266384442351 0.170990292186 0.461230006376} S13 126 0.0 1
16 {} {0.266384442351 0.829009707814 0.461230006376} S14 127 0.0 1
16 {} {0.36333416433 0.670304794787 0.284000664033} S15 128 0.0 1
16 {} {0.36333416433 0.329695205213 0.284000664033} S16 129 0.0 1
17 {} {0.0189817001035 0 0.392108400603} Cl8 130 0.0 1
17 {} {0.67397322671 0 0.0562982217497} Cl9 131 0.0 1
17 {} {0.586516241359 0.5 0.345593986784} Cl10 132 0.0 1
17 {} {0.664285933538 0 0.433401688966} Cl11 133 0.0 1
17 {} {0.0412562462221 0 0.0274583673221} Cl12 134 0.0 1
17 {} {0.933486585987 0.5 0.300507218616} Cl13 135 0.0 1
17 {} {0.161288780212 0.387893712675 0.40787356417} Cl14 136 0.0 1
17 {} {0.161288780212 0.612106287325 0.40787356417} Cl15 137 0.0 1
17 {} {0.583803186145 0.368264166815 0.0374469923827} Cl16 138 0.0 1
17 {} {0.583803186145 0.631735833185 0.0374469923827} Cl17 139 0.0 1
17 {} {0.458198021796 0.887657019898 0.331294080429} Cl18 140 0.0 1
17 {} {0.458198021796 0.112342980102 0.331294080429} Cl19 141 0.0 1
8 {} {0.363176595495 0.233408276919 0.477869730614} O48 142 0.0 1
8 {} {0.363176595495 0.766591723081 0.477869730614} O49 143 0.0 1
8 {} {0.284750477547 0.741305245015 0.266924453222} O50 144 0.0 1
8 {} {0.284750477547 0.258694754985 0.266924453222} O51 145 0.0 1
8 {} {0.857207641392 0.264238933462 0.475870567638} O52 146 0.0 1
8 {} {0.857207641392 0.735761066538 0.475870567638} O53 147 0.0 1
8 {} {0.7840610559 0.758507332783 0.270031776166} O54 148 0.0 1
8 {} {0.7840610559 0.241492667217 0.270031776166} O55 149 0.0 1
8 {} {0.618217527639 0.315533325137 0.477513443347} O56 150 0.0 1
8 {} {0.618217527639 0.684466674863 0.477513443347} O57 151 0.0 1
8 {} {0.0155580089308 0.817743264005 0.272520633176} O58 152 0.0 1
8 {} {0.0155580089308 0.182256735995 0.272520633176} O59 153 0.0 1
8 {} {0.812564661805 0.414294909735 0.479243981744} O60 154 0.0 1
8 {} {0.812564661805 0.585705090265 0.479243981744} O61 155 0.0 1
8 {} {0.81302675498 0.909348895656 0.27028896281} O62 156 0.0 1
8 {} {0.81302675498 0.0906511043437 0.27028896281} O63 157 0.0 1
8 {} {0.299041589703 0.0864231276783 0.476071552298} O64 158 0.0 1
8 {} {0.299041589703 0.913576872322 0.476071552298} O65 159 0.0 1
8 {} {0.306764438035 0.590669184235 0.265675734535} O66 160 0.0 1
8 {} {0.306764438035 0.409330815765 0.265675734535} O67 161 0.0 1
8 {} {0.119039386205 0.19513185859 0.470578868063} O68 162 0.0 1
8 {} {0.119039386205 0.80486814141 0.470578868063} O69 163 0.0 1
8 {} {0.512949021246 0.679060618063 0.273186025054} O70 164 0.0 1
8 {} {0.512949021246 0.320939381937 0.273186025054} O71 165 0.0 1
8 {} {0.761417340059 0.338823428184 0.420634444989} O72 166 0.0 1
8 {} {0.761417340059 0.661176571816 0.420634444989} O73 167 0.0 1
8 {} {0.862633491203 0.83102153648 0.328372036718} O76 168 0.0 1
8 {} {0.862633491203 0.16897846352 0.328372036718} O77 169 0.0 1
8 {} {0.284109361477 0.16982085435 0.418177142741} O78 170 0.0 1
8 {} {0.284109361477 0.83017914565 0.418177142741} O79 171 0.0 1
8 {} {0.344952305089 0.665675772109 0.325802950315} O82 172 0.0 1
8 {} {0.344952305089 0.334324227891 0.325802950315} O83 173 0.0 1
8 {} {0.041656839127 0 0.492282883251} O84 174 0.0 1
8 {} {0.570942730247 0.5 0.255806234876} O85 175 0.0 1
8 {} {0.68283875647 0 0.208875771408} O86 176 0.0 1
8 {} {0.0795015744049 0 0.250124671286} O87 177 0.0 1
8 {} {0.547432200406 0.5 0.500072089493} O88 178 0.0 1
8 {} {0.939489127583 0.5 0.547336163226} O89 179 0.0 1
8 {} {0.657663383907 0.171059505737 0.393389277115} O90 180 0.0 1
8 {} {0.657663383907 0.828940494263 0.393389277115} O91 181 0.0 1
8 {} {0.058960305484 0.183653464795 0.0566637344487} O92 182 0.0 1
8 {} {0.058960305484 0.816346535205 0.0566637344487} O93 183 0.0 1
8 {} {0.95614210423 0.668214427028 0.351620092832} O94 184 0.0 1
8 {} {0.95614210423 0.331785572972 0.351620092832} O95 185 0.0 1
8 {} {0.0860148919214 0.374994093469 0.498596492399} O96 186 0.0 1
8 {} {0.0860148919214 0.625005906531 0.498596492399} O97 187 0.0 1
8 {} {0.545044669727 0.862025020269 0.249177961478} O98 188 0.0 1
8 {} {0.545044669727 0.137974979731 0.249177961478} O99 189 0.0 1
8 {} {0.62202475103 0.135527647629 0.501423890913} O100 190 0.0 1
8 {} {0.62202475103 0.864472352371 0.501423890913} O101 191 0.0 1
8 {} {0.0470975049178 0.636781246468 0.244689064503} O102 192 0.0 1
8 {} {0.0470975049178 0.363218753532 0.244689064503} O103 193 0.0 1
8 {} {0.962541754671 0.188914777637 0.405561732983} O104 194 0.0 1
8 {} {0.962541754671 0.811085222363 0.405561732983} O105 195 0.0 1
8 {} {0.756698747691 0.197409867421 0.0568934534574} O106 196 0.0 1
8 {} {0.756698747691 0.802590132579 0.0568934534574} O107 197 0.0 1
8 {} {0.659462993971 0.68701447301 0.345227824951} O108 198 0.0 1
8 {} {0.659462993971 0.31298552699 0.345227824951} O109 199 0.0 1
8 {} {0.558927168602 0 0.137320526822} O110 200 0.0 1
8 {} {0.174171379039 0 0.318013234277} O111 201 0.0 1
8 {} {0.446343854396 0.5 0.426242758831} O112 202 0.0 1
1 {} {0.0277820164573 0 0.464342172599} H35 203 0.0 1
1 {} {0.573665245058 0.5 0.284692461003} H36 204 0.0 1
1 {} {0.950509884713 0 0.504486063133} H37 205 0.0 1
1 {} {0.66803331191 0.5 0.24797968507} H38 206 0.0 1
1 {} {0.648699376582 0 0.181960807969} H39 207 0.0 1
1 {} {0.11175343747 0 0.278586907477} H40 208 0.0 1
1 {} {0.517658969118 0.5 0.472847263366} H41 209 0.0 1
1 {} {0.943937403284 0.5 0.575477500716} H42 210 0.0 1
1 {} {0.598978908215 0 0.224775468906} H43 211 0.0 1
1 {} {0.1655528981 0 0.235476784766} H44 212 0.0 1
1 {} {0.463460154827 0.5 0.515751172597} H45 213 0.0 1
1 {} {0.0346459711879 0.5 0.537767530727} H46 214 0.0 1
1 {} {0.586504185618 0.154993381711 0.373744548433} H47 215 0.0 1
1 {} {0.586504185618 0.845006618289 0.373744548433} H48 216 0.0 1
1 {} {0.137732134152 0.161575301626 0.0733837789088} H49 217 0.0 1
1 {} {0.137732134152 0.838424698374 0.0733837789088} H50 218 0.0 1
1 {} {0.0280235662031 0.646563242893 0.370759768257} H51 219 0.0 1
1 {} {0.0280235662031 0.353436757107 0.370759768257} H52 220 0.0 1
1 {} {0.667969906143 0.122243340518 0.410754228619} H53 221 0.0 1
1 {} {0.667969906143 0.877756659482 0.410754228619} H54 222 0.0 1
1 {} {0.0329076001446 0.133380531358 0.0412153721457} H55 223 0.0 1
1 {} {0.0329076001446 0.866619468642 0.0412153721457} H56 224 0.0 1
1 {} {0.927776307765 0.620199066653 0.33581488693} H57 225 0.0 1
1 {} {0.927776307765 0.379800933347 0.33581488693} H58 226 0.0 1
1 {} {0.131160163725 0.370940038252 0.473167285135} H59 227 0.0 1
1 {} {0.131160163725 0.629059961748 0.473167285135} H60 228 0.0 1
1 {} {0.492665261518 0.863438262681 0.274369668173} H61 229 0.0 1
1 {} {0.492665261518 0.136561737319 0.274369668173} H62 230 0.0 1
1 {} {0.993499060852 0.399651598924 0.493324035569} H63 231 0.0 1
1 {} {0.993499060852 0.600348401076 0.493324035569} H64 232 0.0 1
1 {} {0.634362639526 0.888750562395 0.2563809472} H65 233 0.0 1
1 {} {0.634362639526 0.111249437605 0.2563809472} H66 234 0.0 1
1 {} {0.722669429537 0.145276835437 0.502018662376} H67 235 0.0 1
1 {} {0.722669429537 0.854723164563 0.502018662376} H68 236 0.0 1
1 {} {0.984050960703 0.619092594945 0.265692948585} H69 237 0.0 1
1 {} {0.984050960703 0.380907405055 0.265692948585} H70 238 0.0 1
1 {} {0.603064290718 0.100022219309 0.479039824396} H71 239 0.0 1
1 {} {0.603064290718 0.899977780691 0.479039824396} H72 240 0.0 1
1 {} {0.136770800787 0.608540394533 0.251520973455} H73 241 0.0 1
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