#MD System 2.0

@Title Kainite_XRD_1.cif_P1 (1 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
12 {} {0.266137924784 0.594127016314 0.367969989761} Mg1 1 0.0 1
16 {} {0.486564981092 0.514495782761 0.339235725007} S2 2 0.0 1
8 {} {0.571476063893 0.56280929158 0.323111516649} O1 3 0.0 1
8 {} {0.546800004717 0.498110440464 0.387047667829} O4 4 0.0 1
8 {} {0.340228123875 0.52931147629 0.348082444954} O5 5 0.0 1
8 {} {0.489243224515 0.471361292833 0.305861174575} O6 6 0.0 1
8 {} {0.81689392889 0.533472497939 0.365217765055} O9 7 0.0 1
1 {} {0.901674208046 0.523771533378 0.380849586459} H5 8 0.0 1
1 {} {0.737551482258 0.510837270213 0.378453279375} H6 9 0.0 1
19 {} {0.988725267012 0.311599776727 0.32861832367} K1 10 0.0 1
19 {} {0.57863565907 0.390378515401 0.368355843017} K2 11 0.0 1
19 {} {0.663361723174 0.261255534164 0.504250238088} K3 12 0.0 1
19 {} {0.360389274711 0.747227055872 0.398575345816} K4 13 0.0 1
19 {} {0.634206812263 0.104035660444 0.671766816511} K5 14 0.0 1
12 {} {0.0127536077863 0.245998042351 0.453131841292} Mg2 15 0.0 1
12 {} {0.266137924784 0.0941270163142 0.367969989761} Mg3 16 0.0 1
12 {} {0.246622178932 0.397365394555 0.57085825041} Mg4 17 0.0 1
12 {} {0.739341748429 0.603931334305 0.349214238488} Mg5 18 0.0 1
16 {} {0.97203394235 0.308961450599 0.558802599243} S4 19 0.0 1
16 {} {0.0412978494837 0.679491157438 0.347386128848} S5 20 0.0 1
16 {} {0.942987575369 0.166511338927 0.71245105071} S6 21 0.0 1
16 {} {0.486564981092 0.0144957827607 0.339235725007} S7 22 0.0 1
16 {} {0.48698086431 0.373122357602 0.490849846183} S8 23 0.0 1
16 {} {0.519707309706 0.632315681081 0.430953331591} S10 24 0.0 1
17 {} {0.25328616149 0.382053382462 0.369503018141} Cl1 25 0.0 1
17 {} {0.892020016496 0.404355697772 0.402047272095} Cl2 26 0.0 1
17 {} {0.369290973937 0.237123975004 0.559053553461} Cl3 27 0.0 1
17 {} {0.654780913894 0.772508922388 0.344311972248} Cl5 28 0.0 1
17 {} {0.334289590308 0.141259416732 0.656788535887} Cl6 29 0.0 1
8 {} {0.571476063893 0.0628092915795 0.323111516649} O11 30 0.0 1
8 {} {0.573172996744 0.362589953773 0.53357319088} O12 31 0.0 1
8 {} {0.424677510494 0.641553163603 0.38987717841} O13 32 0.0 1
8 {} {0.0791878908921 0.350644260558 0.544166457422} O16 33 0.0 1
8 {} {0.936188700236 0.637452002788 0.366919098707} O17 34 0.0 1
8 {} {0.064341783143 0.15990602753 0.744710403091} O18 35 0.0 1
8 {} {0.832439708869 0.329761446981 0.5620543509} O20 36 0.0 1
8 {} {0.174604753172 0.654394847724 0.339748912428} O21 37 0.0 1
8 {} {0.809563305336 0.155975178285 0.737774415658} O22 38 0.0 1
8 {} {0.00997028593673 0.286787957541 0.605911977693} O23 39 0.0 1
8 {} {-0.00944205504391 0.701044536382 0.302711797577} O24 40 0.0 1
8 {} {0.958543107516 0.220098805666 0.690821807095} O25 41 0.0 1
8 {} {0.546800004717 0.998110440464 0.387047667829} O26 42 0.0 1
8 {} {0.549434372165 0.423321660785 0.467714063395} O27 43 0.0 1
8 {} {0.469106616828 0.582200470939 0.454539306963} O28 44 0.0 1
8 {} {0.340228123875 0.02931147629 0.348082444954} O29 45 0.0 1
8 {} {0.341324417571 0.38024227218 0.506461088884} O30 46 0.0 1
8 {} {0.664563112978 0.628458909742 0.411676260931} O31 47 0.0 1
8 {} {0.96515710455 0.264890680162 0.52391818985} O32 48 0.0 1
8 {} {0.0644475327827 0.721919305384 0.383857061649} O33 49 0.0 1
8 {} {0.94830334355 0.128102862783 0.671352824256} O34 50 0.0 1
8 {} {0.489243224515 0.971361292833 0.305861174575} O35 51 0.0 1
8 {} {0.490537421464 0.330044973612 0.456280574353} O36 52 0.0 1
8 {} {0.519584255995 0.676306084983 0.464494246359} O37 53 0.0 1
8 {} {0.289802150018 0.478512662791 0.443939617699} O39 54 0.0 1
8 {} {0.85710423372 0.290189100343 0.4273509554} O42 55 0.0 1
8 {} {0.17238203911 0.701198138737 0.477594135933} O43 56 0.0 1
8 {} {0.832586197539 0.0419100274576 0.732136637941} O44 57 0.0 1
8 {} {0.331630590257 0.338908118177 0.612005746916} O46 58 0.0 1
8 {} {0.720205024412 0.663620117597 0.302206947576} O47 59 0.0 1
8 {} {0.274929257961 0.233454174944 0.728514411145} O48 60 0.0 1
8 {} {0.81689392889 0.0334724979389 0.365217765055} O49 61 0.0 1
8 {} {0.810127770492 0.432326372521 0.503373688458} O50 62 0.0 1
8 {} {0.100360288036 0.572453222136 0.40944504269} O51 63 0.0 1
8 {} {0.160047421759 0.308279627279 0.448421275782} O53 64 0.0 1
8 {} {0.868392092044 0.683986944509 0.462556210689} O54 65 0.0 1
8 {} {0.125046647177 0.0607362367638 0.72956472902} O55 66 0.0 1
8 {} {0.270296990203 0.286502125259 0.307936345963} O56 67 0.0 1
1 {} {0.271699964157 0.455832705488 0.41566371775} H9 68 0.0 1
1 {} {0.238063019841 0.460384996343 0.470099180367} H10 69 0.0 1
1 {} {0.786594446738 0.279243618143 0.402164111619} H13 70 0.0 1
1 {} {0.239827785646 0.715647708005 0.502293249507} H14 71 0.0 1
1 {} {0.749778565178 0.0149193800676 0.730429028845} H15 72 0.0 1
1 {} {0.872142289745 0.329532647822 0.423629592292} H17 73 0.0 1
1 {} {0.149319501775 0.664061001138 0.486520617008} H18 74 0.0 1
1 {} {0.806736565472 0.074404154873 0.74712982804} H19 75 0.0 1
1 {} {0.344781982188 0.305745284863 0.594301198854} H21 76 0.0 1
1 {} {0.671941740497 0.693722729511 0.31439881824} H22 77 0.0 1
1 {} {0.321028388113 0.213079881503 0.704160961545} H23 78 0.0 1
1 {} {0.270065887046 0.328639433602 0.639427844972} H25 79 0.0 1
1 {} {0.815485878024 0.679915853157 0.294928549336} H26 80 0.0 1
1 {} {0.197327972588 0.207557179613 0.739246300936} H27 81 0.0 1
1 {} {0.901674208046 0.0237715333777 0.380849586459} H28 82 0.0 1
1 {} {0.873363895246 0.420194003951 0.478341440582} H29 83 0.0 1
1 {} {0.0265965616016 0.5967158332 0.402356387736} H30 84 0.0 1
1 {} {0.737551482258 0.0108372702128 0.378453279375} H31 85 0.0 1
1 {} {0.717964687919 0.427931637641 0.486338546958} H32 86 0.0 1
1 {} {0.106998672635 0.568824071388 0.444622933783} H33 87 0.0 1
1 {} {0.182942485169 0.333811994063 0.421591402998} H35 88 0.0 1
1 {} {0.844947430068 0.668280883304 0.494187467865} H36 89 0.0 1
1 {} {0.0773103182976 0.0434365966376 0.756736286767} H37 90 0.0 1
1 {} {0.195759678148 0.327291551985 0.476959216701} H39 91 0.0 1
1 {} {0.803255631114 0.665217179631 0.439790795405} H40 92 0.0 1
1 {} {0.123272287728 0.0993312806023 0.736515523946} H41 93 0.0 1
1 {} {0.290835584834 0.322785334311 0.320106929791} H42 94 0.0 1
1 {} {0.332922010174 0.282222629438 0.281224345476} H43 95 0.0 1
19 {} {0.988725267012 0.811599776727 0.32861832367} K6 96 0.0 1
19 {} {0.0699224941586 0.684282321593 0.595897960505} K7 97 0.0 1
19 {} {0.57863565907 0.890378515401 0.368355843017} K9 98 0.0 1
19 {} {0.427542672149 0.616420050863 0.548548654612} K10 99 0.0 1
19 {} {0.663361723174 0.761255534164 0.504250238088} K11 100 0.0 1
19 {} {0.360389274711 0.247227055872 0.398575345816} K12 101 0.0 1
19 {} {0.634206812263 0.604035660444 0.671766816511} K13 102 0.0 1
19 {} {0.30794278676 0.496764089374 0.679003146076} K14 103 0.0 1
12 {} {0.953771277729 0.296782579019 0.673642074916} Mg6 104 0.0 1
12 {} {0.498881236988 0.5017500663 0.457988286499} Mg7 105 0.0 1
12 {} {0.0127536077863 0.745998042351 0.453131841292} Mg8 106 0.0 1
12 {} {0.968516841242 0.547444328845 0.674327393088} Mg9 107 0.0 1
12 {} {0.246622178932 0.897365394555 0.57085825041} Mg10 108 0.0 1
12 {} {0.739341748429 0.103931334305 0.349214238488} Mg11 109 0.0 1
12 {} {0.738267759719 0.400132268049 0.570619470961} Mg12 110 0.0 1
16 {} {0.97203394235 0.808961450599 0.558802599243} S11 111 0.0 1
16 {} {0.0412978494837 0.179491157438 0.347386128848} S12 112 0.0 1
16 {} {0.942987575369 0.666511338927 0.71245105071} S13 113 0.0 1
16 {} {-0.00339405352449 0.42295576348 0.648382362163} S14 114 0.0 1
16 {} {0.48698086431 0.873122357602 0.490849846183} S15 115 0.0 1
16 {} {0.519707309706 0.132315681081 0.430953331591} S17 116 0.0 1
16 {} {0.500806215033 0.490920663597 0.576709602431} S18 117 0.0 1
17 {} {0.25328616149 0.882053382462 0.369503018141} Cl7 118 0.0 1
17 {} {0.760714902382 0.636125287385 0.556050890413} Cl8 119 0.0 1
17 {} {0.892020016496 0.904355697772 0.402047272095} Cl9 120 0.0 1
17 {} {0.112331894702 0.586608840552 0.519290518419} Cl10 121 0.0 1
17 {} {0.369290973937 0.737123975004 0.559053553461} Cl11 122 0.0 1
17 {} {0.654780913894 0.272508922388 0.344311972248} Cl13 123 0.0 1
17 {} {0.334289590308 0.641259416732 0.656788535887} Cl14 124 0.0 1
17 {} {0.593299433104 0.464362131251 0.70975409491} Cl15 125 0.0 1
8 {} {0.573172996744 0.862589953773 0.53357319088} O57 126 0.0 1
8 {} {0.424677510494 0.141553163603 0.38987717841} O58 127 0.0 1
8 {} {0.406046673998 0.446897463526 0.595721526749} O60 128 0.0 1
8 {} {0.0791878908921 0.850644260558 0.544166457422} O61 129 0.0 1
8 {} {0.936188700236 0.137452002788 0.366919098707} O62 130 0.0 1
8 {} {0.064341783143 0.65990602753 0.744710403091} O63 131 0.0 1
8 {} {0.913094079044 0.432841272163 0.604591222131} O64 132 0.0 1
8 {} {0.832439708869 0.829761446981 0.5620543509} O65 133 0.0 1
8 {} {0.174604753172 0.154394847724 0.339748912428} O66 134 0.0 1
8 {} {0.809563305336 0.655975178285 0.737774415658} O67 135 0.0 1
8 {} {0.142804512223 0.414905494017 0.633956370075} O68 136 0.0 1
8 {} {0.00997028593673 0.786787957541 0.605911977693} O69 137 0.0 1
8 {} {-0.00944205504391 0.201044536382 0.302711797577} O70 138 0.0 1
8 {} {0.958543107516 0.720098805666 0.690821807095} O71 139 0.0 1
8 {} {0.93560591874 0.376073118545 0.674232393426} O72 140 0.0 1
8 {} {0.549434372165 0.923321660785 0.467714063395} O74 141 0.0 1
8 {} {0.469106616828 0.082200470939 0.454539306963} O75 142 0.0 1
8 {} {0.449064878659 0.50624844671 0.52885321651} O76 143 0.0 1
8 {} {0.341324417571 0.88024227218 0.506461088884} O77 144 0.0 1
8 {} {0.664563112978 0.128458909742 0.411676260931} O78 145 0.0 1
8 {} {0.645687106798 0.473268739647 0.572725139411} O79 146 0.0 1
8 {} {0.96515710455 0.764890680162 0.52391818985} O80 147 0.0 1
8 {} {0.0644475327827 0.221919305384 0.383857061649} O81 148 0.0 1
8 {} {0.94830334355 0.628102862783 0.671352824256} O82 149 0.0 1
8 {} {-0.000946245212496 0.469193611031 0.680472055917} O83 150 0.0 1
8 {} {0.490537421464 0.830044973612 0.456280574353} O84 151 0.0 1
8 {} {0.519584255995 0.176306084983 0.464494246359} O85 152 0.0 1
8 {} {0.500747261632 0.536597482205 0.608748760278} O87 153 0.0 1
8 {} {0.289802150018 0.978512662791 0.443939617699} O88 154 0.0 1
8 {} {0.712101261199 0.527036348501 0.473945934808} O89 155 0.0 1
8 {} {0.744768780279 0.791261207288 0.674489616492} O91 156 0.0 1
8 {} {0.160169646249 0.810275191267 0.694984600349} O92 157 0.0 1
8 {} {0.85710423372 0.790189100343 0.4273509554} O93 158 0.0 1
8 {} {0.17238203911 0.201198138737 0.477594135933} O94 159 0.0 1
8 {} {0.832586197539 0.541910027458 0.732136637941} O95 160 0.0 1
8 {} {0.130237591865 0.55636645834 0.625208149327} O96 161 0.0 1
8 {} {0.331630590257 0.838908118177 0.612005746916} O97 162 0.0 1
8 {} {0.720205024412 0.163620117597 0.302206947576} O98 163 0.0 1
8 {} {0.274929257961 0.733454174944 0.728514411145} O99 164 0.0 1
8 {} {0.626509553669 0.377658544655 0.633656844081} O100 165 0.0 1
8 {} {0.810127770492 0.932326372521 0.503373688458} O102 166 0.0 1
8 {} {0.100360288036 0.0724532221364 0.40944504269} O103 167 0.0 1
8 {} {0.145615937873 0.458260925245 0.536451178475} O104 168 0.0 1
8 {} {0.160047421759 0.808279627279 0.448421275782} O105 169 0.0 1
8 {} {0.868392092044 0.183986944509 0.462556210689} O106 170 0.0 1
8 {} {0.125046647177 0.560736236764 0.72956472902} O107 171 0.0 1
8 {} {0.826299235293 0.5426303865 0.620383330971} O108 172 0.0 1
8 {} {0.270296990203 0.786502125259 0.307936345963} O109 173 0.0 1
8 {} {0.626528563661 0.707327972226 0.628990957327} O110 174 0.0 1
1 {} {0.271699964157 0.955832705488 0.41566371775} H44 175 0.0 1
1 {} {0.72432190974 0.559831233989 0.491971445518} H45 176 0.0 1
1 {} {0.238063019841 0.960384996343 0.470099180367} H46 177 0.0 1
1 {} {0.766871996789 0.501735222622 0.490835344043} H47 178 0.0 1
1 {} {0.697372271276 0.759490470636 0.658839698685} H49 179 0.0 1
1 {} {0.185186552982 0.841355117742 0.714068256526} H50 180 0.0 1
1 {} {0.701265845421 0.82228441459 0.661972863492} H51 181 0.0 1
1 {} {0.210273109416 0.778371163088 0.709580964414} H52 182 0.0 1
1 {} {0.786594446738 0.779243618143 0.402164111619} H53 183 0.0 1
1 {} {0.239827785646 0.215647708005 0.502293249507} H54 184 0.0 1
1 {} {0.749778565178 0.514919380068 0.730429028845} H55 185 0.0 1
1 {} {0.200056238949 0.586377964841 0.634612598455} H56 186 0.0 1
1 {} {0.872142289745 0.829532647822 0.423629592292} H57 187 0.0 1
1 {} {0.149319501775 0.164061001138 0.486520617008} H58 188 0.0 1
1 {} {0.806736565472 0.574404154873 0.74712982804} H59 189 0.0 1
1 {} {0.109252574986 0.561947287659 0.591076535234} H60 190 0.0 1
1 {} {0.344781982188 0.805745284863 0.594301198854} H61 191 0.0 1
1 {} {0.671941740497 0.193722729511 0.31439881824} H62 192 0.0 1
1 {} {0.321028388113 0.713079881503 0.704160961545} H63 193 0.0 1
1 {} {0.527374667233 0.368137761094 0.625621882356} H64 194 0.0 1
1 {} {0.270065887046 0.828639433602 0.639427844972} H66 195 0.0 1
1 {} {0.815485878024 0.179915853157 0.294928549336} H67 196 0.0 1
1 {} {0.197327972588 0.707557179613 0.739246300936} H68 197 0.0 1
1 {} {0.623909826593 0.405922969049 0.658569215866} H69 198 0.0 1
1 {} {0.873363895246 0.920194003951 0.478341440582} H71 199 0.0 1
1 {} {0.0265965616016 0.0967158332002 0.402356387736} H72 200 0.0 1
1 {} {0.0492470341163 0.455403023787 0.548653036085} H73 201 0.0 1
1 {} {0.717964687919 0.927931637641 0.486338546958} H74 202 0.0 1
1 {} {0.106998672635 0.0688240713882 0.444622933783} H75 203 0.0 1
1 {} {0.178431413188 0.495536121968 0.53830117477} H76 204 0.0 1
1 {} {0.182942485169 0.833811994063 0.421591402998} H77 205 0.0 1
1 {} {0.844947430068 0.168280883304 0.494187467865} H78 206 0.0 1
1 {} {0.0773103182976 0.543436596638 0.756736286767} H79 207 0.0 1
1 {} {0.818904994891 0.572095490644 0.5979174519} H80 208 0.0 1
1 {} {0.195759678148 0.827291551985 0.476959216701} H81 209 0.0 1
1 {} {0.803255631114 0.165217179631 0.439790795405} H82 210 0.0 1
1 {} {0.123272287728 0.599331280602 0.736515523946} H83 211 0.0 1
1 {} {0.766928042992 0.512692256605 0.606827653749} H84 212 0.0 1
1 {} {0.290835584834 0.822785334311 0.320106929791} H85 213 0.0 1
1 {} {0.678128115865 0.691482592306 0.602880211167} H86 214 0.0 1
1 {} {0.332922010174 0.782222629438 0.281224345476} H88 215 0.0 1
1 {} {0.532675670507 0.711652741414 0.616268232025} H89 216 0.0 1
19 {} {0.0699224941586 0.184282321593 0.595897960505} K15 217 0.0 1
19 {} {0.427542672149 0.116420050863 0.548548654612} K17 218 0.0 1
19 {} {0.30794278676 0.996764089374 0.679003146076} K18 219 0.0 1
12 {} {0.953771277729 0.796782579019 0.673642074916} Mg13 220 0.0 1
12 {} {0.498881236988 0.00175006630018 0.457988286499} Mg14 221 0.0 1
12 {} {0.968516841242 0.0474443288455 0.674327393088} Mg15 222 0.0 1
12 {} {0.738267759719 0.900132268049 0.570619470961} Mg16 223 0.0 1
16 {} {-0.00339405352449 0.92295576348 0.648382362163} S19 224 0.0 1
16 {} {0.500806215033 0.990920663597 0.576709602431} S20 225 0.0 1
17 {} {0.760714902382 0.136125287385 0.556050890413} Cl16 226 0.0 1
17 {} {0.112331894702 0.0866088405517 0.519290518419} Cl17 227 0.0 1
17 {} {0.593299433104 0.964362131251 0.70975409491} Cl18 228 0.0 1
8 {} {0.406046673998 0.946897463526 0.595721526749} O112 229 0.0 1
8 {} {0.913094079044 0.932841272163 0.604591222131} O113 230 0.0 1
8 {} {0.142804512223 0.914905494017 0.633956370075} O114 231 0.0 1
8 {} {0.93560591874 0.876073118545 0.674232393426} O115 232 0.0 1
8 {} {0.449064878659 0.00624844671029 0.52885321651} O117 233 0.0 1
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