#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 {} {0.7407673444 0 0.49757153639} K1 1 0.0 1
19 {} {0.2407673444 0.5 0.49757153639} K2 2 0.0 1
16 {} {0.427909492239 0.138108466152 0.425076319103} S1 3 0.0 1
16 {} {0.427909492239 0.861891533848 0.425076319103} S2 4 0.0 1
16 {} {0.927909492239 0.638108466152 0.425076319103} S3 5 0.0 1
16 {} {0.927909492239 0.361891533848 0.425076319103} S4 6 0.0 1
17 {} {0.373465997103 0.388798341028 0.515763936188} Cl3 7 0.0 1
17 {} {0.373465997103 0.611201658972 0.515763936188} Cl4 8 0.0 1
17 {} {0.873465997103 0.888798341028 0.515763936188} Cl5 9 0.0 1
17 {} {0.873465997103 0.111201658972 0.515763936188} Cl6 10 0.0 1
8 {} {0.602591619487 0.229899087065 0.490458912175} O1 11 0.0 1
8 {} {0.602591619487 0.770100912935 0.490458912175} O2 12 0.0 1
8 {} {0.102591619487 0.729899087065 0.490458912175} O3 13 0.0 1
8 {} {0.102591619487 0.270100912935 0.490458912175} O4 14 0.0 1
8 {} {0.614979175397 0.0815996259872 0.471207796125} O9 15 0.0 1
8 {} {0.614979175397 0.918400374013 0.471207796125} O10 16 0.0 1
8 {} {0.114979175397 0.581599625987 0.471207796125} O11 17 0.0 1
8 {} {0.114979175397 0.418400374013 0.471207796125} O12 18 0.0 1
8 {} {0.3848711759 0.111109088618 0.468735562653} O13 19 0.0 1
8 {} {0.3848711759 0.888890911382 0.468735562653} O14 20 0.0 1
8 {} {0.8848711759 0.611109088618 0.468735562653} O15 21 0.0 1
8 {} {0.8848711759 0.388890911382 0.468735562653} O16 22 0.0 1
8 {} {0.386297779054 0.137102823408 0.375059483071} O17 23 0.0 1
8 {} {0.386297779054 0.862897176592 0.375059483071} O18 24 0.0 1
8 {} {0.886297779054 0.637102823408 0.375059483071} O19 25 0.0 1
8 {} {0.886297779054 0.362897176592 0.375059483071} O20 26 0.0 1
8 {} {0.486131080034 0 0.523245337211} O21 27 0.0 1
8 {} {0.986131080034 0.5 0.523245337211} O22 28 0.0 1
1 {} {0.437621316859 0 0.517501479697} H1 29 0.0 1
1 {} {0.937621316859 0.5 0.517501479697} H2 30 0.0 1
1 {} {0.495317594144 0 0.560462859709} H3 31 0.0 1
1 {} {0.995317594144 0.5 0.560462859709} H4 32 0.0 1
19 {} {0.794682005031 0 0.247218798962} K7 33 0.0 1
19 {} {0.294682005031 0.5 0.247218798962} K8 34 0.0 1
19 {} {0.180946665608 0 0.312456125941} K9 35 0.0 1
19 {} {0.680946665608 0.5 0.312456125941} K10 36 0.0 1
19 {} {0.279415891494 0 0.453321324426} K11 37 0.0 1
19 {} {0.779415891494 0.5 0.453321324426} K12 38 0.0 1
19 {} {0.331998327491 0.315036276082 0.414429491254} K15 39 0.0 1
19 {} {0.331998327491 0.684963723918 0.414429491254} K16 40 0.0 1
19 {} {0.831998327491 0.815036276082 0.414429491254} K17 41 0.0 1
19 {} {0.831998327491 0.184963723918 0.414429491254} K18 42 0.0 1
19 {} {0.683920523066 0.349991382391 0.1597514622} K19 43 0.0 1
19 {} {0.683920523066 0.650008617609 0.1597514622} K20 44 0.0 1
19 {} {0.183920523066 0.849991382391 0.1597514622} K21 45 0.0 1
19 {} {0.183920523066 0.150008617609 0.1597514622} K22 46 0.0 1
12 {} {0.992554324826 0 0.271431531725} Mg5 47 0.0 1
12 {} {0.492554324826 0.5 0.271431531725} Mg6 48 0.0 1
12 {} {0.541522748293 0 0.456921802379} Mg7 49 0.0 1
12 {} {0.0415227482928 0.5 0.456921802379} Mg8 50 0.0 1
12 {} {0.739934889971 0.246962523851 0.281028760541} Mg9 51 0.0 1
12 {} {0.739934889971 0.753037476149 0.281028760541} Mg10 52 0.0 1
12 {} {0.239934889971 0.746962523851 0.281028760541} Mg11 53 0.0 1
12 {} {0.239934889971 0.253037476149 0.281028760541} Mg12 54 0.0 1
12 {} {0.502354982746 0.20783645074 0.252889175154} Mg13 55 0.0 1
12 {} {0.502354982746 0.79216354926 0.252889175154} Mg14 56 0.0 1
12 {} {0.00235498274622 0.70783645074 0.252889175154} Mg15 57 0.0 1
12 {} {0.00235498274622 0.29216354926 0.252889175154} Mg16 58 0.0 1
12 {} {0.545056272451 0.281071340062 0.431386520439} Mg17 59 0.0 1
12 {} {0.545056272451 0.718928659938 0.431386520439} Mg18 60 0.0 1
12 {} {0.0450562724509 0.781071340062 0.431386520439} Mg19 61 0.0 1
12 {} {0.0450562724509 0.218928659938 0.431386520439} Mg20 62 0.0 1
16 {} {0.394328623712 0.334188826235 0.282889966963} S5 63 0.0 1
16 {} {0.394328623712 0.665811173765 0.282889966963} S6 64 0.0 1
16 {} {0.894328623712 0.834188826235 0.282889966963} S7 65 0.0 1
16 {} {0.894328623712 0.165811173765 0.282889966963} S8 66 0.0 1
16 {} {0.590868469444 0.329229056168 0.266533653698} S9 67 0.0 1
16 {} {0.590868469444 0.670770943832 0.266533653698} S10 68 0.0 1
16 {} {0.0908684694437 0.829229056168 0.266533653698} S11 69 0.0 1
16 {} {0.0908684694437 0.170770943832 0.266533653698} S12 70 0.0 1
16 {} {0.635911473914 0.167482736443 0.455717922138} S13 71 0.0 1
16 {} {0.635911473914 0.832517263557 0.455717922138} S14 72 0.0 1
16 {} {0.135911473914 0.667482736443 0.455717922138} S15 73 0.0 1
16 {} {0.135911473914 0.332517263557 0.455717922138} S16 74 0.0 1
17 {} {0.116552680113 0 0.112112690696} Cl7 75 0.0 1
17 {} {0.616552680113 0.5 0.112112690696} Cl8 76 0.0 1
17 {} {0.731357460223 0 0.361960696658} Cl9 77 0.0 1
17 {} {0.231357460223 0.5 0.361960696658} Cl10 78 0.0 1
17 {} {0.281669895845 0 0.208845180244} Cl11 79 0.0 1
17 {} {0.781669895845 0.5 0.208845180244} Cl12 80 0.0 1
17 {} {0.645120913906 0 0.197652514656} Cl13 81 0.0 1
17 {} {0.145120913906 0.5 0.197652514656} Cl14 82 0.0 1
17 {} {0.648098250459 0.386526288372 0.409275619858} Cl19 83 0.0 1
17 {} {0.648098250459 0.613473711628 0.409275619858} Cl20 84 0.0 1
17 {} {0.148098250459 0.886526288372 0.409275619858} Cl21 85 0.0 1
17 {} {0.148098250459 0.113473711628 0.409275619858} Cl22 86 0.0 1
8 {} {0.453494937624 0.224968317468 0.433161977899} O39 87 0.0 1
8 {} {0.453494937624 0.775031682532 0.433161977899} O40 88 0.0 1
8 {} {0.953494937624 0.724968317468 0.433161977899} O41 89 0.0 1
8 {} {0.953494937624 0.275031682532 0.433161977899} O42 90 0.0 1
8 {} {0.414217418851 0.269509518747 0.240028201219} O47 91 0.0 1
8 {} {0.414217418851 0.730490481253 0.240028201219} O48 92 0.0 1
8 {} {0.914217418851 0.769509518747 0.240028201219} O49 93 0.0 1
8 {} {0.914217418851 0.230490481253 0.240028201219} O50 94 0.0 1
8 {} {0.56271770521 0.270911225033 0.306235030305} O51 95 0.0 1
8 {} {0.56271770521 0.729088774967 0.306235030305} O52 96 0.0 1
8 {} {0.06271770521 0.770911225033 0.306235030305} O53 97 0.0 1
8 {} {0.06271770521 0.229088774967 0.306235030305} O54 98 0.0 1
8 {} {0.425514930078 0.311148693502 0.331944829179} O55 99 0.0 1
8 {} {0.425514930078 0.688851306498 0.331944829179} O56 100 0.0 1
8 {} {0.925514930078 0.811148693502 0.331944829179} O57 101 0.0 1
8 {} {0.925514930078 0.188851306498 0.331944829179} O58 102 0.0 1
8 {} {0.567231817368 0.295477835728 0.214657825149} O59 103 0.0 1
8 {} {0.567231817368 0.704522164272 0.214657825149} O60 104 0.0 1
8 {} {0.067231817368 0.795477835728 0.214657825149} O61 105 0.0 1
8 {} {0.067231817368 0.204522164272 0.214657825149} O62 106 0.0 1
8 {} {0.414882900433 0.416294038629 0.262249158642} O63 107 0.0 1
8 {} {0.414882900433 0.583705961371 0.262249158642} O64 108 0.0 1
8 {} {0.914882900433 0.916294038629 0.262249158642} O65 109 0.0 1
8 {} {0.914882900433 0.0837059613707 0.262249158642} O66 110 0.0 1
8 {} {0.568677707002 0.415492270836 0.274728934764} O67 111 0.0 1
8 {} {0.568677707002 0.584507729164 0.274728934764} O68 112 0.0 1
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8 {} {0.068677707002 0.0845077291638 0.274728934764} O70 114 0.0 1
8 {} {0.486278716586 0.0827254473694 0.416321132431} O71 115 0.0 1
8 {} {0.486278716586 0.917274552631 0.416321132431} O72 116 0.0 1
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8 {} {0.986278716586 0.417274552631 0.416321132431} O74 118 0.0 1
8 {} {0.606914850314 0.187708887668 0.401604421191} O83 119 0.0 1
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8 {} {0.319323318043 0.334320632242 0.285456082869} O87 123 0.0 1
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8 {} {0.519419242494 0.12520568384 0.193075679132} O127 163 0.0 1
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8 {} {0.679905899618 0.162869215079 0.316454750584} O135 171 0.0 1
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8 {} {0.374616128655 0.5 0.405864195339} O140 176 0.0 1
1 {} {0.420744481317 0 0.137108795727} H37 177 0.0 1
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1 {} {0.190681849576 0.635969492512 0.203811730932} H67 207 0.0 1
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1 {} {0.374018286825 0.323823496991 0.183225664091} H69 209 0.0 1
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1 {} {0.874018286825 0.823823496991 0.183225664091} H71 211 0.0 1
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1 {} {0.458277348527 0.383956019977 0.481903153556} H73 213 0.0 1
1 {} {0.458277348527 0.616043980023 0.481903153556} H74 214 0.0 1
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1 {} {0.352882802796 0.341241337883 0.124995366672} H77 217 0.0 1
1 {} {0.352882802796 0.658758662117 0.124995366672} H78 218 0.0 1
1 {} {0.852882802796 0.841241337883 0.124995366672} H79 219 0.0 1
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1 {} {0.534623619621 0.418574328737 0.480731135797} H81 221 0.0 1
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1 {} {0.501260727854 0.0741735921863 0.307038702121} H93 233 0.0 1
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1 {} {0.00126072785438 0.574173592186 0.307038702121} H95 235 0.0 1
1 {} {0.00126072785438 0.425826407814 0.307038702121} H96 236 0.0 1
1 {} {0.484838372516 0.0806705399295 0.189904413882} H97 237 0.0 1
1 {} {0.484838372516 0.91932946007 0.189904413882} H98 238 0.0 1
1 {} {0.984838372516 0.58067053993 0.189904413882} H99 239 0.0 1
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