#MD System 2.0

@Title Kainite_XRD_1.cif_P1 (0 0 1)  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 {} {0.73061463864 0 0.714780877477} K1 1 0.0 1
19 {} {0.23061463864 0.5 0.714780877477} K2 2 0.0 1
16 {} {0.414103357619 0.148459019833 0.638243566639} S1 3 0.0 1
16 {} {0.414103357619 0.851540980167 0.638243566639} S2 4 0.0 1
16 {} {0.914103357619 0.648459019833 0.638243566639} S3 5 0.0 1
16 {} {0.914103357619 0.351540980167 0.638243566639} S4 6 0.0 1
17 {} {0.364229750127 0.390510034096 0.735256089528} Cl1 7 0.0 1
17 {} {0.364229750127 0.609489965904 0.735256089528} Cl2 8 0.0 1
17 {} {0.864229750127 0.890510034096 0.735256089528} Cl3 9 0.0 1
17 {} {0.864229750127 0.109489965904 0.735256089528} Cl4 10 0.0 1
8 {} {0.594560143552 0.230798394354 0.701486196784} O1 11 0.0 1
8 {} {0.594560143552 0.769201605646 0.701486196784} O2 12 0.0 1
8 {} {0.0945601435523 0.730798394354 0.701486196784} O3 13 0.0 1
8 {} {0.0945601435523 0.269201605646 0.701486196784} O4 14 0.0 1
8 {} {0.604695808848 0.0817597385809 0.682453305091} O5 15 0.0 1
8 {} {0.604695808848 0.918240261419 0.682453305091} O6 16 0.0 1
8 {} {0.104695808848 0.581759738581 0.682453305091} O7 17 0.0 1
8 {} {0.104695808848 0.418240261419 0.682453305091} O8 18 0.0 1
8 {} {0.357684970475 0.145242145501 0.677390129433} O9 19 0.0 1
8 {} {0.357684970475 0.854757854499 0.677390129433} O10 20 0.0 1
8 {} {0.857684970475 0.645242145501 0.677390129433} O11 21 0.0 1
8 {} {0.857684970475 0.354757854499 0.677390129433} O12 22 0.0 1
8 {} {0.385979283591 0.133771438141 0.579949476324} O13 23 0.0 1
8 {} {0.385979283591 0.866228561859 0.579949476324} O14 24 0.0 1
8 {} {0.885979283591 0.633771438141 0.579949476324} O15 25 0.0 1
8 {} {0.885979283591 0.366228561859 0.579949476324} O16 26 0.0 1
19 {} {0.79045389653 0 0.453957523805} K7 27 0.0 1
19 {} {0.29045389653 0.5 0.453957523805} K8 28 0.0 1
19 {} {0.172571279967 0 0.518140114039} K9 29 0.0 1
19 {} {0.672571279967 0.5 0.518140114039} K10 30 0.0 1
19 {} {0.283448500603 0 0.670396189331} K11 31 0.0 1
19 {} {0.783448500603 0.5 0.670396189331} K12 32 0.0 1
19 {} {0.323374860634 0.316393210443 0.628886215573} K15 33 0.0 1
19 {} {0.323374860634 0.683606789557 0.628886215573} K16 34 0.0 1
19 {} {0.823374860634 0.816393210443 0.628886215573} K17 35 0.0 1
19 {} {0.823374860634 0.183606789557 0.628886215573} K18 36 0.0 1
19 {} {0.687042147813 0.337789600267 0.350322791461} K19 37 0.0 1
19 {} {0.687042147813 0.662210399733 0.350322791461} K20 38 0.0 1
19 {} {0.187042147813 0.837789600267 0.350322791461} K21 39 0.0 1
19 {} {0.187042147813 0.162210399733 0.350322791461} K22 40 0.0 1
12 {} {0.986855743193 0 0.468288336718} Mg1 41 0.0 1
12 {} {0.486855743193 0.5 0.468288336718} Mg2 42 0.0 1
12 {} {0.537537882339 0 0.652280114872} Mg3 43 0.0 1
12 {} {0.0375378823386 0.5 0.652280114872} Mg4 44 0.0 1
12 {} {0.735721264226 0.249527018208 0.484399686175} Mg5 45 0.0 1
12 {} {0.735721264226 0.750472981792 0.484399686175} Mg6 46 0.0 1
12 {} {0.235721264226 0.749527018208 0.484399686175} Mg7 47 0.0 1
12 {} {0.235721264226 0.250472981792 0.484399686175} Mg8 48 0.0 1
12 {} {0.500709648382 0.202953622237 0.455727432436} Mg9 49 0.0 1
12 {} {0.500709648382 0.797046377763 0.455727432436} Mg10 50 0.0 1
12 {} {0.000709648381594 0.702953622237 0.455727432436} Mg11 51 0.0 1
12 {} {0.000709648381594 0.297046377763 0.455727432436} Mg12 52 0.0 1
12 {} {0.537580934876 0.288599344149 0.641893903274} Mg13 53 0.0 1
12 {} {0.537580934876 0.711400655851 0.641893903274} Mg14 54 0.0 1
12 {} {0.0375809348762 0.788599344149 0.641893903274} Mg15 55 0.0 1
12 {} {0.0375809348762 0.211400655851 0.641893903274} Mg16 56 0.0 1
16 {} {0.388994915097 0.332998117979 0.483728167497} S5 57 0.0 1
16 {} {0.388994915097 0.667001882021 0.483728167497} S6 58 0.0 1
16 {} {0.888994915097 0.832998117979 0.483728167497} S7 59 0.0 1
16 {} {0.888994915097 0.167001882021 0.483728167497} S8 60 0.0 1
16 {} {0.586633885211 0.330844677428 0.462597796706} S9 61 0.0 1
16 {} {0.586633885211 0.669155322572 0.462597796706} S10 62 0.0 1
16 {} {0.0866338852106 0.830844677428 0.462597796706} S11 63 0.0 1
16 {} {0.0866338852106 0.169155322572 0.462597796706} S12 64 0.0 1
16 {} {0.624439999851 0.166884276772 0.664089366061} S13 65 0.0 1
16 {} {0.624439999851 0.833115723228 0.664089366061} S14 66 0.0 1
16 {} {0.124439999851 0.666884276772 0.664089366061} S15 67 0.0 1
16 {} {0.124439999851 0.333115723228 0.664089366061} S16 68 0.0 1
17 {} {0.259665320517 0 0.315270869941} Cl5 69 0.0 1
17 {} {0.759665320517 0.5 0.315270869941} Cl6 70 0.0 1
17 {} {0.732115267723 0 0.571413710089} Cl7 71 0.0 1
17 {} {0.232115267723 0.5 0.571413710089} Cl8 72 0.0 1
17 {} {0.318226046259 0 0.47628953091} Cl9 73 0.0 1
17 {} {0.818226046259 0.5 0.47628953091} Cl10 74 0.0 1
17 {} {0.642530138704 0 0.400732542527} Cl11 75 0.0 1
17 {} {0.142530138704 0.5 0.400732542527} Cl12 76 0.0 1
17 {} {0.637384648661 0.384900550246 0.616491291832} Cl17 77 0.0 1
17 {} {0.637384648661 0.615099449754 0.616491291832} Cl18 78 0.0 1
17 {} {0.137384648661 0.884900550246 0.616491291832} Cl19 79 0.0 1
17 {} {0.137384648661 0.115099449754 0.616491291832} Cl20 80 0.0 1
8 {} {0.447342990661 0.232057954492 0.639143682919} O23 81 0.0 1
8 {} {0.447342990661 0.767942045508 0.639143682919} O24 82 0.0 1
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8 {} {0.411470566611 0.261044656944 0.445209511923} O31 85 0.0 1
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8 {} {0.911470566611 0.761044656944 0.445209511923} O33 87 0.0 1
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8 {} {0.557315390881 0.278759137693 0.507542166776} O35 89 0.0 1
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8 {} {0.41403289539 0.31976699435 0.53938151672} O39 93 0.0 1
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@data
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@data
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