#MD System 2.0

@Title Kainite_XRD_1.cif_P1 (0 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
19 {} {0.449771499166 0.280167254407 0.229969059221} K1 1 0.0 1
19 {} {0.550228500834 0.719832745593 0.229969059221} K2 2 0.0 1
19 {} {0.413688783875 0.806593274101 0.501959341647} K3 3 0.0 1
19 {} {0.586311216125 0.193406725899 0.501959341647} K4 4 0.0 1
19 {} {0.944397370538 0.808611176035 0.222632227624} K5 5 0.0 1
19 {} {0.0556026294617 0.191388823965 0.222632227624} K6 6 0.0 1
19 {} {0.942716964794 0.307202067261 0.4954338876} K7 7 0.0 1
19 {} {0.0572830352059 0.692797932739 0.4954338876} K8 8 0.0 1
19 {} {0.844263766027 0.804804584538 0.399812498275} K9 9 0.0 1
19 {} {0.155736233973 0.195195415462 0.399812498275} K10 10 0.0 1
19 {} {0.16358602721 0.207289003657 0.61597864058} K11 11 0.0 1
19 {} {0.83641397279 0.792710996343 0.61597864058} K12 12 0.0 1
19 {} {0.854375142826 0.31477866218 0.669133343772} K13 13 0.0 1
19 {} {0.145624857174 0.68522133782 0.669133343772} K14 14 0.0 1
19 {} {0.164814504842 0.700046543628 0.332622058717} K15 15 0.0 1
19 {} {0.835185495158 0.299953456372 0.332622058717} K16 16 0.0 1
12 {} {0.5 0 0.501785187758} Mg1 17 0.0 1
12 {} {0.5 0.5 0.236571896} Mg2 18 0.0 1
12 {} {0 0 0.24290101095} Mg3 19 0.0 1
12 {} {0 0.5 0.496925690364} Mg4 20 0.0 1
12 {} {0.488695631748 0.251033285112 0.36253172095} Mg5 21 0.0 1
12 {} {0.511304368252 0.748966714888 0.36253172095} Mg6 22 0.0 1
12 {} {0.482246509837 0.753727455032 0.639706606991} Mg7 23 0.0 1
12 {} {0.517753490163 0.246272544968 0.639706606991} Mg8 24 0.0 1
12 {} {0.241964833628 0.999686513866 0.364403904825} Mg9 25 0.0 1
12 {} {0.758035166372 0.000313486133531 0.364403904825} Mg10 26 0.0 1
12 {} {0.752353798145 0.996841619258 0.638716211088} Mg11 27 0.0 1
12 {} {0.247646201855 0.00315838074178 0.638716211088} Mg12 28 0.0 1
12 {} {0.243606799007 0.494373580469 0.636506904603} Mg13 29 0.0 1
12 {} {0.756393200993 0.505626419531 0.636506904603} Mg14 30 0.0 1
12 {} {0.745695082084 0.49918195435 0.36103724033} Mg15 31 0.0 1
12 {} {0.254304917916 0.50081804565 0.36103724033} Mg16 32 0.0 1
16 {} {0.520041887021 0.903642467555 0.406586132296} S1 33 0.0 1
16 {} {0.479958112979 0.0963575324455 0.406586132296} S2 34 0.0 1
16 {} {0.482046876686 0.0953315765676 0.593891598659} S3 35 0.0 1
16 {} {0.517953123314 0.904668423432 0.593891598659} S4 36 0.0 1
16 {} {0.526945565164 0.403963805513 0.677849155251} S5 37 0.0 1
16 {} {0.473054434836 0.596036194487 0.677849155251} S6 38 0.0 1
16 {} {0.484340579082 0.600960362802 0.313603683017} S7 39 0.0 1
16 {} {0.515659420918 0.399039637198 0.313603683017} S8 40 0.0 1
16 {} {0.986696793681 0.101917456188 0.318644177941} S9 41 0.0 1
16 {} {0.0133032063189 0.898082543812 0.318644177941} S10 42 0.0 1
16 {} {0.0257927551718 0.899197252284 0.675793287842} S11 43 0.0 1
16 {} {0.974207244828 0.100802747716 0.675793287842} S12 44 0.0 1
16 {} {0.98479541348 0.595830714524 0.587920825203} S13 45 0.0 1
16 {} {0.01520458652 0.404169285476 0.587920825203} S14 46 0.0 1
16 {} {0.0173930257612 0.403668787135 0.399982779163} S15 47 0.0 1
16 {} {0.982606974239 0.596331212865 0.399982779163} S16 48 0.0 1
17 {} {0.261865724987 0.804252812093 0.21942033294} Cl1 49 0.0 1
17 {} {0.738134275013 0.195747187907 0.21942033294} Cl2 50 0.0 1
17 {} {0.279296388452 0.292224023533 0.499757581696} Cl3 51 0.0 1
17 {} {0.720703611548 0.707775976467 0.499757581696} Cl4 52 0.0 1
17 {} {0.642667317214 0.863609380742 0.228838384829} Cl5 53 0.0 1
17 {} {0.357332682786 0.136390619258 0.228838384829} Cl6 54 0.0 1
17 {} {0.622647472684 0.3563837753 0.495698742173} Cl7 55 0.0 1
17 {} {0.377352527316 0.6436162247 0.495698742173} Cl8 56 0.0 1
17 {} {0.147998265039 0.817932099888 0.429467597856} Cl9 57 0.0 1
17 {} {0.852001734961 0.182067900112 0.429467597856} Cl10 58 0.0 1
17 {} {0.892728078209 0.17656457007 0.549351761496} Cl11 59 0.0 1
17 {} {0.107271921791 0.82343542993 0.549351761496} Cl12 60 0.0 1
17 {} {0.135339235511 0.31087363876 0.71228110257} Cl13 61 0.0 1
17 {} {0.864660764489 0.68912636124 0.71228110257} Cl14 62 0.0 1
17 {} {0.867657168198 0.674129955611 0.257087240073} Cl15 63 0.0 1
17 {} {0.132342831802 0.325870044389 0.257087240073} Cl16 64 0.0 1
8 {} {0.916610724809 0.923007478848 0.355630582891} O1 65 0.0 1
8 {} {0.0833892751908 0.0769925211516 0.355630582891} O2 66 0.0 1
8 {} {0.0603462962457 0.0690219146745 0.635583845378} O3 67 0.0 1
8 {} {0.939653703754 0.930978085325 0.635583845378} O4 68 0.0 1
8 {} {0.923701272166 0.432983696169 0.625655404378} O5 69 0.0 1
8 {} {0.0762987278343 0.567016303831 0.625655404378} O6 70 0.0 1
8 {} {0.0727473801214 0.566127480744 0.360824518262} O7 71 0.0 1
8 {} {0.927252619879 0.433872519256 0.360824518262} O8 72 0.0 1
8 {} {0.424009835227 0.929325535201 0.367959720359} O9 73 0.0 1
8 {} {0.575990164773 0.0706744647994 0.367959720359} O10 74 0.0 1
8 {} {0.572634295571 0.0655419167366 0.631210891926} O11 75 0.0 1
8 {} {0.427365704429 0.934458083263 0.631210891926} O12 76 0.0 1
8 {} {0.436449577509 0.425425838461 0.635452725728} O13 77 0.0 1
8 {} {0.563550422491 0.574574161539 0.635452725728} O14 78 0.0 1
8 {} {0.586173940223 0.574579816166 0.348206057045} O15 79 0.0 1
8 {} {0.413826059777 0.425420183834 0.348206057045} O16 80 0.0 1
8 {} {0.65993712619 0.925892395365 0.398596089131} O17 81 0.0 1
8 {} {0.34006287381 0.0741076046352 0.398596089131} O18 82 0.0 1
8 {} {0.336933536891 0.0770524641424 0.599053405858} O19 83 0.0 1
8 {} {0.663066463109 0.922947535858 0.599053405858} O20 84 0.0 1
8 {} {0.663804580707 0.431388453965 0.67118094553} O21 85 0.0 1
8 {} {0.336195419293 0.568611546035 0.67118094553} O22 86 0.0 1
8 {} {0.349470866922 0.571765430766 0.319252709068} O23 87 0.0 1
8 {} {0.650529133078 0.428234569234 0.319252709068} O24 88 0.0 1
8 {} {0.463932669281 0.927674801582 0.451522522092} O25 89 0.0 1
8 {} {0.536067330719 0.072325198418 0.451522522092} O26 90 0.0 1
8 {} {0.539656788014 0.0722718516673 0.547921888594} O27 91 0.0 1
8 {} {0.460343211986 0.927728148333 0.547921888594} O28 92 0.0 1
8 {} {0.457216597828 0.427216425583 0.720062694538} O29 93 0.0 1
8 {} {0.542783402172 0.572783574417 0.720062694538} O30 94 0.0 1
8 {} {0.54128479463 0.58316254939 0.265724799319} O31 95 0.0 1
8 {} {0.45871520537 0.41683745061 0.265724799319} O32 96 0.0 1
8 {} {0.94589437422 0.921150620684 0.272540640201} O33 97 0.0 1
8 {} {0.0541056257802 0.0788493793159 0.272540640201} O34 98 0.0 1
8 {} {0.0439749666242 0.0806785697081 0.719298888556} O35 99 0.0 1
8 {} {0.956025033376 0.919321430292 0.719298888556} O36 100 0.0 1
8 {} {0.952819187232 0.429349172855 0.542296375803} O37 101 0.0 1
8 {} {0.0471808127682 0.570650827145 0.542296375803} O38 102 0.0 1
8 {} {0.0353977017896 0.568436717385 0.444456220967} O39 103 0.0 1
8 {} {0.96460229821 0.431563282615 0.444456220967} O40 104 0.0 1
8 {} {0.147414172232 0.929225145465 0.321952034196} O41 105 0.0 1
8 {} {0.852585827768 0.0707748545348 0.321952034196} O42 106 0.0 1
8 {} {0.831822091288 0.0748157056022 0.673089703522} O43 107 0.0 1
8 {} {0.168177908712 0.925184294398 0.673089703522} O44 108 0.0 1
8 {} {0.157561581122 0.426568241917 0.592363182696} O45 109 0.0 1
8 {} {0.842438418878 0.573431758083 0.592363182696} O46 110 0.0 1
8 {} {0.836872010513 0.578351311369 0.39166013935} O47 111 0.0 1
8 {} {0.163127989487 0.421648688631 0.39166013935} O48 112 0.0 1
8 {} {0.532445620276 0.828135731327 0.406487135714} O49 113 0.0 1
8 {} {0.467554379724 0.171864268673 0.406487135714} O50 114 0.0 1
8 {} {0.478475966757 0.170602159473 0.593986818012} O51 115 0.0 1
8 {} {0.521524033243 0.829397840527 0.593986818012} O52 116 0.0 1
8 {} {0.555564002421 0.328266224531 0.677182069208} O53 117 0.0 1
8 {} {0.444435997579 0.671733775469 0.677182069208} O54 118 0.0 1
8 {} {0.462684733675 0.675875877419 0.314497282882} O55 119 0.0 1
8 {} {0.537315266325 0.324124122581 0.314497282882} O56 120 0.0 1
8 {} {0.03180117435 0.823935440016 0.317303773903} O57 121 0.0 1
8 {} {0.96819882565 0.176064559984 0.317303773903} O58 122 0.0 1
8 {} {0.95363545072 0.174812114095 0.66961103931} O59 123 0.0 1
8 {} {0.04636454928 0.825187885905 0.66961103931} O60 124 0.0 1
8 {} {0.0197639288934 0.329764506981 0.587519281287} O61 125 0.0 1
8 {} {0.980236071107 0.670235493019 0.587519281287} O62 126 0.0 1
8 {} {0.983499795499 0.670228364067 0.399364932561} O63 127 0.0 1
8 {} {0.0165002045014 0.329771635933 0.399364932561} O64 128 0.0 1
8 {} {0.182684522457 0.964138024659 0.212640840909} O65 129 0.0 1
8 {} {0.817315477543 0.0358619753411 0.212640840909} O66 130 0.0 1
8 {} {0.220844087832 0.461199983159 0.497280009746} O67 131 0.0 1
8 {} {0.779155912168 0.538800016841 0.497280009746} O68 132 0.0 1
8 {} {0.700574092495 0.472443522843 0.218599417623} O69 133 0.0 1
8 {} {0.299425907505 0.527556477157 0.218599417623} O70 134 0.0 1
8 {} {0.720613068259 0.972989694696 0.500843882288} O71 135 0.0 1
8 {} {0.279386931741 0.027010305304 0.500843882288} O72 136 0.0 1
8 {} {0.67291127277 0.776118504346 0.317659476707} O73 137 0.0 1
8 {} {0.32708872723 0.223881495654 0.317659476707} O74 138 0.0 1
8 {} {0.369839215983 0.21438086987 0.686231004453} O75 139 0.0 1
8 {} {0.630160784017 0.78561913013 0.686231004453} O76 140 0.0 1
8 {} {0.674203886572 0.273793393356 0.59359888392} O77 141 0.0 1
8 {} {0.325796113428 0.726206606644 0.59359888392} O78 142 0.0 1
8 {} {0.361727588386 0.711822970183 0.402502932961} O79 143 0.0 1
8 {} {0.638272411614 0.288177029817 0.402502932961} O80 144 0.0 1
8 {} {0.165316503732 0.971694999322 0.424584787489} O81 145 0.0 1
8 {} {0.834683496268 0.0283050006777 0.424584787489} O82 146 0.0 1
8 {} {0.842831780178 0.0343111154493 0.577885415187} O83 147 0.0 1
8 {} {0.157168219822 0.965688884551 0.577885415187} O84 148 0.0 1
8 {} {0.184993082158 0.459044782996 0.697600914338} O85 149 0.0 1
8 {} {0.815006917842 0.540955217004 0.697600914338} O86 150 0.0 1
8 {} {0.843198074245 0.533773453297 0.297542867376} O87 151 0.0 1
8 {} {0.156801925755 0.466226546703 0.297542867376} O88 152 0.0 1
8 {} {0.651644114227 0.969410807303 0.305243959836} O89 153 0.0 1
8 {} {0.348355885773 0.0305891926973 0.305243959836} O90 154 0.0 1
8 {} {0.307462238262 0.0440050389874 0.699434799966} O91 155 0.0 1
8 {} {0.692537761738 0.955994961013 0.699434799966} O92 156 0.0 1
8 {} {0.657626713568 0.469038300739 0.57566247678} O93 157 0.0 1
8 {} {0.342373286432 0.530961699261 0.57566247678} O94 158 0.0 1
8 {} {0.33324732153 0.521267390892 0.423058067818} O95 159 0.0 1
8 {} {0.66675267847 0.478732609108 0.423058067818} O96 160 0.0 1
8 {} {0.366228387378 0.810108454187 0.324822954769} O97 161 0.0 1
8 {} {0.633771612622 0.189891545813 0.324822954769} O98 162 0.0 1
8 {} {0.653800154644 0.186556612963 0.682170438023} O99 163 0.0 1
8 {} {0.346199845356 0.813443387037 0.682170438023} O100 164 0.0 1
8 {} {0.368364490909 0.305610704251 0.603682395665} O101 165 0.0 1
8 {} {0.631635509091 0.694389295749 0.603682395665} O102 166 0.0 1
8 {} {0.663704714575 0.694970701139 0.398466968796} O103 167 0.0 1
8 {} {0.336295285425 0.305029298861 0.398466968796} O104 168 0.0 1
8 {} {0.810302797089 0.345499899987 0.232603730727} O105 169 0.0 1
8 {} {0.189697202911 0.654500100013 0.232603730727} O106 170 0.0 1
8 {} {0.834171712802 0.846519008356 0.491842488117} O107 171 0.0 1
8 {} {0.165828287198 0.153480991644 0.491842488117} O108 172 0.0 1
1 {} {0.214570057493 0.914886912698 0.214785485092} H1 173 0.0 1
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1 {} {0.23595627107 0.411332423288 0.498665347461} H3 175 0.0 1
1 {} {0.76404372893 0.588667576712 0.498665347461} H4 176 0.0 1
1 {} {0.263396142651 0.987592572449 0.221208864788} H5 177 0.0 1
1 {} {0.736603857349 0.0124074275514 0.221208864788} H6 178 0.0 1
1 {} {0.263979996705 0.476280477276 0.525854681767} H7 179 0.0 1
1 {} {0.736020003295 0.523719522724 0.525854681767} H8 180 0.0 1
1 {} {0.736081669953 0.42286270156 0.220468762408} H9 181 0.0 1
1 {} {0.263918330047 0.57713729844 0.220468762408} H10 182 0.0 1
1 {} {0.756240681545 0.923633182568 0.498089143941} H11 183 0.0 1
1 {} {0.243759318455 0.0763668174322 0.498089143941} H12 184 0.0 1
1 {} {0.761488616015 0.49394024885 0.24027391474} H13 185 0.0 1
1 {} {0.238511383985 0.50605975115 0.24027391474} H14 186 0.0 1
1 {} {0.765421502757 0.988693665863 0.528995389011} H15 187 0.0 1
1 {} {0.234578497243 0.0113063341368 0.528995389011} H16 188 0.0 1
1 {} {0.746133149759 0.742023068106 0.305504218497} H17 189 0.0 1
1 {} {0.253866850241 0.257976931894 0.305504218497} H18 190 0.0 1
1 {} {0.291215446951 0.249847018479 0.69746795121} H19 191 0.0 1
1 {} {0.708784553049 0.750152981521 0.69746795121} H20 192 0.0 1
1 {} {0.752124083072 0.24129066281 0.58141113404} H21 193 0.0 1
1 {} {0.247875916928 0.75870933719 0.58141113404} H22 194 0.0 1
1 {} {0.286937425193 0.748934429127 0.412641206676} H23 195 0.0 1
1 {} {0.713062574807 0.251065570873 0.412641206676} H24 196 0.0 1
1 {} {0.658415751279 0.811061102881 0.292978181248} H25 197 0.0 1
1 {} {0.341584248721 0.188938897119 0.292978181248} H26 198 0.0 1
1 {} {0.424193426759 0.200148737761 0.713443643906} H27 199 0.0 1
1 {} {0.575806573241 0.799851262239 0.713443643906} H28 200 0.0 1
1 {} {0.647395830164 0.305430955224 0.568370791286} H29 201 0.0 1
1 {} {0.352604169836 0.694569044776 0.568370791286} H30 202 0.0 1
1 {} {0.382798328495 0.684740827124 0.431077502178} H31 203 0.0 1
1 {} {0.617201671505 0.315259172876 0.431077502178} H32 204 0.0 1
1 {} {0.154333891066 0.923308750042 0.429526965016} H33 205 0.0 1
1 {} {0.845666108934 0.0766912499578 0.429526965016} H34 206 0.0 1
1 {} {0.934528116368 0.0431905289331 0.591563777517} H35 207 0.0 1
1 {} {0.065471883632 0.956809471067 0.591563777517} H36 208 0.0 1
1 {} {0.149889936166 0.413876182898 0.699938471022} H37 209 0.0 1
1 {} {0.850110063834 0.586123817102 0.699938471022} H38 210 0.0 1
1 {} {0.934774088112 0.541982840184 0.310662664828} H39 211 0.0 1
1 {} {0.0652259118876 0.458017159816 0.310662664828} H40 212 0.0 1
1 {} {0.207075019663 0.989205106651 0.452930860279} H41 213 0.0 1
1 {} {0.792924980337 0.0107948933494 0.452930860279} H42 214 0.0 1
1 {} {0.80880066791 0.0803082507639 0.567413205363} H43 215 0.0 1
1 {} {0.19119933209 0.919691749236 0.567413205363} H44 216 0.0 1
1 {} {0.273883391448 0.452447109284 0.715204463072} H45 217 0.0 1
1 {} {0.726116608552 0.547552890716 0.715204463072} H46 218 0.0 1
1 {} {0.809972821636 0.579528418786 0.286059542549} H47 219 0.0 1
1 {} {0.190027178364 0.420471581214 0.286059542549} H48 220 0.0 1
1 {} {0.563083073147 0.954913151759 0.316462741903} H49 221 0.0 1
1 {} {0.436916926853 0.0450868482413 0.316462741903} H50 222 0.0 1
1 {} {0.364224081033 0.0815726018139 0.697356672697} H51 223 0.0 1
1 {} {0.635775918967 0.918427398186 0.697356672697} H52 224 0.0 1
1 {} {0.570686173362 0.453124700955 0.588021496059} H53 225 0.0 1
1 {} {0.429313826638 0.546875299045 0.588021496059} H54 226 0.0 1
1 {} {0.360562464661 0.562525651888 0.437510950407} H55 227 0.0 1
1 {} {0.639437535339 0.437474348112 0.437510950407} H56 228 0.0 1
1 {} {0.684604260298 0.934025874453 0.282672093742} H57 229 0.0 1
1 {} {0.315395739702 0.0659741255468 0.282672093742} H58 230 0.0 1
1 {} {0.215025552091 0.0614841164899 0.713750008455} H59 231 0.0 1
1 {} {0.784974447909 0.93851588351 0.713750008455} H60 232 0.0 1
1 {} {0.707301265264 0.430006047388 0.559982357197} H61 233 0.0 1
1 {} {0.292698734736 0.569993952612 0.559982357197} H62 234 0.0 1
1 {} {0.295427388126 0.496138515976 0.449107144063} H63 235 0.0 1
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	Atom2	reference	AsymmetricAtom
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@Columns Subset
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@data
@end