#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 {} {0.449780652184 0.279116477771 0.230545158182} K1 1 0.0 1
19 {} {0.550219347816 0.720883522229 0.230545158182} K2 2 0.0 1
19 {} {0.414767254218 0.806461460091 0.502015525785} K3 3 0.0 1
19 {} {0.585232745782 0.193538539909 0.502015525785} K4 4 0.0 1
19 {} {0.944217637857 0.808776054482 0.222114664919} K5 5 0.0 1
19 {} {0.0557823621431 0.191223945518 0.222114664919} K6 6 0.0 1
19 {} {0.941548390056 0.307633368215 0.495212000904} K7 7 0.0 1
19 {} {0.0584516099438 0.692366631785 0.495212000904} K8 8 0.0 1
19 {} {0.843757428303 0.805553082624 0.40029894337} K9 9 0.0 1
19 {} {0.156242571697 0.194446917376 0.40029894337} K10 10 0.0 1
19 {} {0.162079279547 0.207268595299 0.616573264264} K11 11 0.0 1
19 {} {0.837920720453 0.792731404701 0.616573264264} K12 12 0.0 1
19 {} {0.853726223313 0.314907040654 0.669033851235} K13 13 0.0 1
19 {} {0.146273776687 0.685092959346 0.669033851235} K14 14 0.0 1
19 {} {0.164765782597 0.700866058686 0.333206386241} K15 15 0.0 1
19 {} {0.835234217403 0.299133941314 0.333206386241} K16 16 0.0 1
12 {} {0.5 0 0.501690025912} Mg1 17 0.0 1
12 {} {0.5 0.5 0.236934913713} Mg2 18 0.0 1
12 {} {0 0 0.24259084509} Mg3 19 0.0 1
12 {} {0 0.5 0.497015816087} Mg4 20 0.0 1
12 {} {0.488764985744 0.250442815473 0.362691987993} Mg5 21 0.0 1
12 {} {0.511235014256 0.749557184527 0.362691987993} Mg6 22 0.0 1
12 {} {0.483807006196 0.753838323781 0.639598587577} Mg7 23 0.0 1
12 {} {0.516192993804 0.246161676219 0.639598587577} Mg8 24 0.0 1
12 {} {0.241900519175 0.999513581903 0.36425495478} Mg9 25 0.0 1
12 {} {0.758099480825 0.000486418097489 0.36425495478} Mg10 26 0.0 1
12 {} {0.751975510991 0.997113586047 0.638614265909} Mg11 27 0.0 1
12 {} {0.248024489009 0.00288641395275 0.638614265909} Mg12 28 0.0 1
12 {} {0.244070682389 0.494505652788 0.636468983659} Mg13 29 0.0 1
12 {} {0.755929317611 0.505494347212 0.636468983659} Mg14 30 0.0 1
12 {} {0.745092869194 0.498498716418 0.361529149069} Mg15 31 0.0 1
12 {} {0.254907130806 0.501501283582 0.361529149069} Mg16 32 0.0 1
16 {} {0.519813610506 0.903814637837 0.406767628096} S1 33 0.0 1
16 {} {0.480186389494 0.0961853621633 0.406767628096} S2 34 0.0 1
16 {} {0.480579051692 0.0955102478157 0.593639896894} S3 35 0.0 1
16 {} {0.519420948308 0.904489752184 0.593639896894} S4 36 0.0 1
16 {} {0.525845630828 0.403757664361 0.677798730634} S5 37 0.0 1
16 {} {0.474154369172 0.596242335639 0.677798730634} S6 38 0.0 1
16 {} {0.484152584122 0.600908102574 0.314151168723} S7 39 0.0 1
16 {} {0.515847415878 0.399091897426 0.314151168723} S8 40 0.0 1
16 {} {0.98755334986 0.101981481873 0.318213655227} S9 41 0.0 1
16 {} {0.0124466501402 0.898018518127 0.318213655227} S10 42 0.0 1
16 {} {0.0256979749033 0.899656666091 0.676378893908} S11 43 0.0 1
16 {} {0.974302025097 0.100343333909 0.676378893908} S12 44 0.0 1
16 {} {0.985327803777 0.595706381776 0.587788808451} S13 45 0.0 1
16 {} {0.0146721962233 0.404293618224 0.587788808451} S14 46 0.0 1
16 {} {0.0180951159087 0.403727703756 0.399976839113} S15 47 0.0 1
16 {} {0.981904884091 0.596272296244 0.399976839113} S16 48 0.0 1
17 {} {0.262049654863 0.804738370901 0.219089587157} Cl1 49 0.0 1
17 {} {0.737950345137 0.195261629099 0.219089587157} Cl2 50 0.0 1
17 {} {0.277756808303 0.290746049798 0.499283587478} Cl3 51 0.0 1
17 {} {0.722243191697 0.709253950202 0.499283587478} Cl4 52 0.0 1
17 {} {0.642800487718 0.864986203384 0.228504274713} Cl5 53 0.0 1
17 {} {0.357199512282 0.135013796616 0.228504274713} Cl6 54 0.0 1
17 {} {0.620143314695 0.35614952773 0.49614989489} Cl7 55 0.0 1
17 {} {0.379856685305 0.64385047227 0.49614989489} Cl8 56 0.0 1
17 {} {0.146901384484 0.818318090963 0.429448747266} Cl9 57 0.0 1
17 {} {0.853098615516 0.181681909037 0.429448747266} Cl10 58 0.0 1
17 {} {0.891787438739 0.1774941878 0.54952818418} Cl11 59 0.0 1
17 {} {0.108212561261 0.8225058122 0.54952818418} Cl12 60 0.0 1
17 {} {0.136734529763 0.309973994959 0.71123234438} Cl13 61 0.0 1
17 {} {0.863265470237 0.690026005041 0.71123234438} Cl14 62 0.0 1
17 {} {0.866737666336 0.674448232309 0.257801498941} Cl15 63 0.0 1
17 {} {0.133262333664 0.325551767691 0.257801498941} Cl16 64 0.0 1
8 {} {0.915800681067 0.923012332232 0.355209388028} O1 65 0.0 1
8 {} {0.0841993189334 0.0769876677681 0.355209388028} O2 66 0.0 1
8 {} {0.0600503956793 0.0691844515068 0.635800982913} O3 67 0.0 1
8 {} {0.939949604321 0.930815548493 0.635800982913} O4 68 0.0 1
8 {} {0.92327163357 0.432743075202 0.625656692202} O5 69 0.0 1
8 {} {0.0767283664303 0.567256924798 0.625656692202} O6 70 0.0 1
8 {} {0.0722381359646 0.566349380234 0.360818527546} O7 71 0.0 1
8 {} {0.927761864035 0.433650619766 0.360818527546} O8 72 0.0 1
8 {} {0.423784923882 0.928879936609 0.367983429953} O9 73 0.0 1
8 {} {0.576215076118 0.0711200633907 0.367983429953} O10 74 0.0 1
8 {} {0.572271068486 0.0662571795852 0.630856142178} O11 75 0.0 1
8 {} {0.427728931514 0.933742820415 0.630856142178} O12 76 0.0 1
8 {} {0.434966791589 0.425258213641 0.635511127255} O13 77 0.0 1
8 {} {0.565033208411 0.574741786359 0.635511127255} O14 78 0.0 1
8 {} {0.585246590704 0.573873935119 0.348816403249} O15 79 0.0 1
8 {} {0.414753409296 0.426126064881 0.348816403249} O16 80 0.0 1
8 {} {0.659427022741 0.926499665977 0.39899166262} O17 81 0.0 1
8 {} {0.340572977259 0.073500334023 0.39899166262} O18 82 0.0 1
8 {} {0.336171921776 0.0763774926643 0.598941535715} O19 83 0.0 1
8 {} {0.663828078224 0.923622507336 0.598941535715} O20 84 0.0 1
8 {} {0.662886184229 0.431023262848 0.671010750691} O21 85 0.0 1
8 {} {0.337113815771 0.568976737152 0.671010750691} O22 86 0.0 1
8 {} {0.348520320419 0.572439947371 0.319732124525} O23 87 0.0 1
8 {} {0.651479679581 0.427560052629 0.319732124525} O24 88 0.0 1
8 {} {0.463049502193 0.927872972343 0.451590884898} O25 89 0.0 1
8 {} {0.536950497807 0.0721270276572 0.451590884898} O26 90 0.0 1
8 {} {0.538502120675 0.0726979569763 0.547690795221} O27 91 0.0 1
8 {} {0.461497879325 0.927302043024 0.547690795221} O28 92 0.0 1
8 {} {0.456729126365 0.427188981507 0.720085393179} O29 93 0.0 1
8 {} {0.543270873635 0.572811018493 0.720085393179} O30 94 0.0 1
8 {} {0.541092929791 0.583144589165 0.266278952336} O31 95 0.0 1
8 {} {0.458907070209 0.416855410835 0.266278952336} O32 96 0.0 1
8 {} {0.945502643618 0.921221224697 0.272104881501} O33 97 0.0 1
8 {} {0.0544973563822 0.0787787753033 0.272104881501} O34 98 0.0 1
8 {} {0.0456594359228 0.0803965737299 0.719608673945} O35 99 0.0 1
8 {} {0.954340564077 0.91960342627 0.719608673945} O36 100 0.0 1
8 {} {0.951576346984 0.42969175387 0.542253872821} O37 101 0.0 1
8 {} {0.0484236530163 0.57030824613 0.542253872821} O38 102 0.0 1
8 {} {0.0350377676134 0.568320959814 0.444415132364} O39 103 0.0 1
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8 {} {0.146673771689 0.929046879576 0.32165886601} O41 105 0.0 1
8 {} {0.853326228311 0.0709531204239 0.32165886601} O42 106 0.0 1
8 {} {0.832488974946 0.0736778033684 0.674043847022} O43 107 0.0 1
8 {} {0.167511025054 0.926322196632 0.674043847022} O44 108 0.0 1
8 {} {0.156757664143 0.426964601539 0.592254776117} O45 109 0.0 1
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8 {} {0.474767963727 0.170894320245 0.593703585844} O51 115 0.0 1
8 {} {0.525232036273 0.829105679755 0.593703585844} O52 116 0.0 1
8 {} {0.554075988601 0.328075196453 0.677163979611} O53 117 0.0 1
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8 {} {0.53599211832 0.324174092656 0.315037057742} O56 120 0.0 1
8 {} {0.0306567170635 0.823869375707 0.316802449304} O57 121 0.0 1
8 {} {0.969343282936 0.176130624293 0.316802449304} O58 122 0.0 1
8 {} {0.952366881025 0.174401707155 0.670212124231} O59 123 0.0 1
8 {} {0.0476331189748 0.825598292845 0.670212124231} O60 124 0.0 1
8 {} {0.0198758989844 0.329910951676 0.587320483436} O61 125 0.0 1
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8 {} {0.98197973188 0.670221748326 0.39947353144} O63 127 0.0 1
8 {} {0.0180202681201 0.329778251674 0.39947353144} O64 128 0.0 1
8 {} {0.181319923034 0.964788709438 0.211242140051} O65 129 0.0 1
8 {} {0.818680076966 0.0352112905618 0.211242140051} O66 130 0.0 1
8 {} {0.221487606721 0.461004407501 0.496919833132} O67 131 0.0 1
8 {} {0.778512393279 0.538995592499 0.496919833132} O68 132 0.0 1
8 {} {0.700335435424 0.47235965448 0.218751733993} O69 133 0.0 1
8 {} {0.299664564576 0.52764034552 0.218751733993} O70 134 0.0 1
8 {} {0.720428868701 0.974652996266 0.501397570054} O71 135 0.0 1
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8 {} {0.672185972697 0.777404144218 0.317711085221} O73 137 0.0 1
8 {} {0.327814027303 0.222595855782 0.317711085221} O74 138 0.0 1
8 {} {0.371123988094 0.212557398971 0.686663197306} O75 139 0.0 1
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8 {} {0.672943678617 0.27400216567 0.593776346332} O77 141 0.0 1
8 {} {0.327056321383 0.72599783433 0.593776346332} O78 142 0.0 1
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8 {} {0.637738840806 0.287183460758 0.403161050079} O80 144 0.0 1
8 {} {0.164923945375 0.971864954672 0.424486967379} O81 145 0.0 1
8 {} {0.835076054625 0.0281350453281 0.424486967379} O82 146 0.0 1
8 {} {0.843595983979 0.0357172695974 0.578377673244} O83 147 0.0 1
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8 {} {0.184937048046 0.458907379014 0.697674951148} O85 149 0.0 1
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8 {} {0.160556001426 0.466704778455 0.297487663276} O88 152 0.0 1
8 {} {0.650467984127 0.969807303618 0.305841963326} O89 153 0.0 1
8 {} {0.349532015873 0.0301926963816 0.305841963326} O90 154 0.0 1
8 {} {0.310005921641 0.0445788715822 0.698807015416} O91 155 0.0 1
8 {} {0.689994078359 0.955421128418 0.698807015416} O92 156 0.0 1
8 {} {0.657326005191 0.46946995775 0.575434077312} O93 157 0.0 1
8 {} {0.342673994809 0.53053004225 0.575434077312} O94 158 0.0 1
8 {} {0.333680533034 0.522714669458 0.42351600649} O95 159 0.0 1
8 {} {0.666319466966 0.477285330542 0.42351600649} O96 160 0.0 1
8 {} {0.365832044705 0.81018324478 0.32453461438} O97 161 0.0 1
8 {} {0.634167955295 0.18981675522 0.32453461438} O98 162 0.0 1
8 {} {0.654271489823 0.186176250852 0.681097063516} O99 163 0.0 1
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8 {} {0.165121968435 0.151244530112 0.492596287789} O108 172 0.0 1
1 {} {0.215225041769 0.915818310262 0.213972667163} H1 173 0.0 1
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1 {} {0.751170319001 0.241637318365 0.581617026595} H21 193 0.0 1
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1 {} {0.427563512013 0.199131960601 0.713593851314} H27 199 0.0 1
1 {} {0.572436487987 0.800868039399 0.713593851314} H28 200 0.0 1
1 {} {0.646220982557 0.305623842902 0.568505760781} H29 201 0.0 1
1 {} {0.353779017443 0.694376157098 0.568505760781} H30 202 0.0 1
1 {} {0.383331987888 0.685744161859 0.43172480092} H31 203 0.0 1
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1 {} {0.152048727631 0.923662031834 0.42926443226} H33 205 0.0 1
1 {} {0.847951272369 0.0763379681661 0.42926443226} H34 206 0.0 1
1 {} {0.935410389114 0.0440354508359 0.592361954027} H35 207 0.0 1
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1 {} {0.149550701106 0.413775044333 0.699651486375} H37 209 0.0 1
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1 {} {0.218086974366 0.0615632831448 0.713582486244} H59 231 0.0 1
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1 {} {0.707862181473 0.430689047074 0.559757497819} H61 233 0.0 1
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@data
@end