#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 {} {0.280974906713 0.593629545443 0.366045973681} Mg1 1 0.0 1
16 {} {0.500015931633 0.513167285942 0.338813125886} S2 2 0.0 1
8 {} {0.588947848883 0.56075196412 0.323293175141} O1 3 0.0 1
8 {} {0.553053361428 0.497017238264 0.387716199601} O4 4 0.0 1
8 {} {0.353578353358 0.528999771069 0.345365804789} O5 5 0.0 1
8 {} {0.504881548811 0.469581689713 0.305990257273} O6 6 0.0 1
8 {} {0.827069242814 0.531176462207 0.369186305004} O9 7 0.0 1
1 {} {0.911945560198 0.515455395426 0.378495799122} H5 8 0.0 1
1 {} {0.746820709469 0.508488482437 0.381631129474} H6 9 0.0 1
19 {} {-0.000624081233759 0.310617199889 0.327559938619} K1 10 0.0 1
19 {} {0.581551431216 0.389012091418 0.368646551512} K2 11 0.0 1
19 {} {0.664689516619 0.261945242758 0.50298323711} K3 12 0.0 1
19 {} {0.364838369174 0.744160293321 0.402643316059} K4 13 0.0 1
19 {} {0.6189509907 0.100920249678 0.67409202296} K5 14 0.0 1
12 {} {0.0147418562706 0.248309144269 0.453813278222} Mg2 15 0.0 1
12 {} {0.280974906713 0.0936295454434 0.366045973681} Mg3 16 0.0 1
12 {} {0.243469033505 0.398152296198 0.57021700767} Mg4 17 0.0 1
12 {} {0.753955835557 0.601512381536 0.351370844043} Mg5 18 0.0 1
16 {} {0.967207397892 0.311050512588 0.559412212026} S4 19 0.0 1
16 {} {0.0511442718982 0.679076718324 0.349718985285} S5 20 0.0 1
16 {} {0.93107066363 0.166938325848 0.711010271691} S6 21 0.0 1
16 {} {0.500015931633 0.0131672859416 0.338813125886} S7 22 0.0 1
16 {} {0.483873683155 0.373136719954 0.490732667598} S8 23 0.0 1
16 {} {0.52860079508 0.630562252965 0.430376213022} S10 24 0.0 1
17 {} {0.254201610537 0.384664646248 0.369097460873} Cl1 25 0.0 1
17 {} {0.896064979217 0.407183521166 0.400772088986} Cl2 26 0.0 1
17 {} {0.37653101277 0.235497879769 0.557782481427} Cl3 27 0.0 1
17 {} {0.659590219131 0.771752161028 0.343891424491} Cl5 28 0.0 1
17 {} {0.323513875222 0.140848329936 0.655756956704} Cl6 29 0.0 1
8 {} {0.588947848883 0.0607519641195 0.323293175141} O11 30 0.0 1
8 {} {0.568080071407 0.362908859827 0.533926715457} O12 31 0.0 1
8 {} {0.442141390198 0.640651275002 0.387347708011} O13 32 0.0 1
8 {} {0.0696773985964 0.35376409934 0.543998899072} O16 33 0.0 1
8 {} {0.949458175738 0.635851895669 0.36904734857} O17 34 0.0 1
8 {} {0.0521547343532 0.160698948415 0.743377730903} O18 35 0.0 1
8 {} {0.825570922129 0.329977624048 0.563807522575} O20 36 0.0 1
8 {} {0.188342821441 0.65620129657 0.34363138422} O21 37 0.0 1
8 {} {0.797748674402 0.155858710142 0.73638204949} O22 38 0.0 1
8 {} {0.00903666417255 0.289646109833 0.606756955793} O23 39 0.0 1
8 {} {0.0012474425044 0.699198402977 0.304268526105} O24 40 0.0 1
8 {} {0.944308132691 0.220406002694 0.689187851958} O25 41 0.0 1
8 {} {0.553053361428 -0.00298276173601 0.387716199601} O26 42 0.0 1
8 {} {0.546390968363 0.423125672424 0.467350495067} O27 43 0.0 1
8 {} {0.467804842103 0.581299083781 0.453298453473} O28 44 0.0 1
8 {} {0.353578353358 0.0289997710693 0.345365804789} O29 45 0.0 1
8 {} {0.337151297533 0.380241062471 0.505575560534} O30 46 0.0 1
8 {} {0.675565907879 0.624058534157 0.414367513976} O31 47 0.0 1
8 {} {0.962616763143 0.266821051317 0.524789876943} O32 48 0.0 1
8 {} {0.0674700824642 0.722493002923 0.38538435251} O33 49 0.0 1
8 {} {0.937787088404 0.128733274249 0.669798272434} O34 50 0.0 1
8 {} {0.504881548811 0.969581689713 0.305990257273} O35 51 0.0 1
8 {} {0.488793820448 0.329919848417 0.456329475592} O36 52 0.0 1
8 {} {0.527180290797 0.674906437454 0.463471518553} O37 53 0.0 1
8 {} {0.287043151983 0.478959852213 0.443649411889} O39 54 0.0 1
8 {} {0.862608241855 0.293115855894 0.426327838719} O42 55 0.0 1
8 {} {0.169570828355 0.702330790557 0.479747982369} O43 56 0.0 1
8 {} {0.824350268174 0.0434447475685 0.731948974274} O44 57 0.0 1
8 {} {0.303722712372 0.335016876703 0.608518316753} O46 58 0.0 1
8 {} {0.733490337575 0.66147316818 0.304834671666} O47 59 0.0 1
8 {} {0.263887135548 0.235375304527 0.729274760823} O48 60 0.0 1
8 {} {0.827069242814 0.0311764622071 0.369186305004} O49 61 0.0 1
8 {} {0.805808574953 0.43139344844 0.502677209592} O50 62 0.0 1
8 {} {0.116749400364 0.566090895679 0.405357691583} O51 63 0.0 1
8 {} {0.163769062312 0.309752156277 0.447776366236} O53 64 0.0 1
8 {} {0.866151277258 0.688110938736 0.462612927791} O54 65 0.0 1
8 {} {0.113547510689 0.0614834189002 0.728700064828} O55 66 0.0 1
8 {} {0.293858709006 0.286374538186 0.313441925688} O56 67 0.0 1
1 {} {0.268854724395 0.455900299799 0.415522504819} H9 68 0.0 1
1 {} {0.238871574566 0.46014488687 0.470162704768} H10 69 0.0 1
1 {} {0.792401010341 0.281569407754 0.401233486263} H13 70 0.0 1
1 {} {0.23932037117 0.715472673831 0.50432616931} H14 71 0.0 1
1 {} {0.738047021809 0.0179836776644 0.730472512739} H15 72 0.0 1
1 {} {0.877668582736 0.332364846201 0.422033112382} H17 73 0.0 1
1 {} {0.14628441112 0.664754065934 0.487153916616} H18 74 0.0 1
1 {} {0.802138714062 0.0767225825298 0.746583654529} H19 75 0.0 1
1 {} {0.346545304141 0.307002773103 0.590490756691} H21 76 0.0 1
1 {} {0.682476150966 0.691151191745 0.316262003684} H22 77 0.0 1
1 {} {0.310491466808 0.216365673393 0.704227533141} H23 78 0.0 1
1 {} {0.219429937626 0.31713230524 0.622694641446} H25 79 0.0 1
1 {} {0.82834680303 0.678154198488 0.297360714185} H26 80 0.0 1
1 {} {0.188100107312 0.20876480641 0.739545259948} H27 81 0.0 1
1 {} {0.911945560198 0.015455395426 0.378495799122} H28 82 0.0 1
1 {} {0.872420428164 0.420425345079 0.478324798208} H29 83 0.0 1
1 {} {0.0413188346383 0.590275755794 0.401972298817} H30 84 0.0 1
1 {} {0.746820709469 0.0084884824369 0.381631129474} H31 85 0.0 1
1 {} {0.71528808574 0.427599591283 0.484675760051} H32 86 0.0 1
1 {} {0.126195336994 0.557721803121 0.439508488827} H33 87 0.0 1
1 {} {0.184715095858 0.334845336973 0.420441595456} H35 88 0.0 1
1 {} {0.844810413014 0.671302088855 0.493985544404} H36 89 0.0 1
1 {} {0.0643448181592 0.0442887189808 0.755657532332} H37 90 0.0 1
1 {} {0.204683412566 0.329323223838 0.475353861278} H39 91 0.0 1
1 {} {0.808516742956 0.666744057774 0.439450460827} H40 92 0.0 1
1 {} {0.111978288392 0.100057987495 0.735779723631} H41 93 0.0 1
1 {} {0.305916413378 0.322900710179 0.325747107687} H42 94 0.0 1
1 {} {0.375558735145 0.281435968774 0.293917134786} H43 95 0.0 1
19 {} {-0.000624081233759 0.810617199889 0.327559938619} K6 96 0.0 1
19 {} {0.0668304552434 0.684932366006 0.595404781701} K7 97 0.0 1
19 {} {0.581551431216 0.889012091418 0.368646551512} K9 98 0.0 1
19 {} {0.425928621212 0.615402259194 0.547530943949} K10 99 0.0 1
19 {} {0.664689516619 0.761945242758 0.50298323711} K11 100 0.0 1
19 {} {0.364838369174 0.244160293321 0.402643316059} K12 101 0.0 1
19 {} {0.6189509907 0.600920249678 0.67409202296} K13 102 0.0 1
19 {} {0.296000541357 0.498848687352 0.678056997667} K14 103 0.0 1
12 {} {0.937170617623 0.297091957706 0.673959870626} Mg6 104 0.0 1
12 {} {0.497638829792 0.501365345662 0.457758211112} Mg7 105 0.0 1
12 {} {0.0147418562706 0.748309144269 0.453813278222} Mg8 106 0.0 1
12 {} {0.958299110042 0.548899270986 0.673360809238} Mg9 107 0.0 1
12 {} {0.243469033505 0.898152296198 0.57021700767} Mg10 108 0.0 1
12 {} {0.753955835557 0.101512381536 0.351370844043} Mg11 109 0.0 1
12 {} {0.733200082056 0.401373609479 0.56945023211} Mg12 110 0.0 1
16 {} {0.967207397892 0.811050512588 0.559412212026} S11 111 0.0 1
16 {} {0.0511442718982 0.179076718324 0.349718985285} S12 112 0.0 1
16 {} {0.93107066363 0.666938325848 0.711010271691} S13 113 0.0 1
16 {} {0.990239202339 0.424509076075 0.646427085834} S14 114 0.0 1
16 {} {0.483873683155 0.873136719954 0.490732667598} S15 115 0.0 1
16 {} {0.52860079508 0.130562252965 0.430376213022} S17 116 0.0 1
16 {} {0.494401804542 0.490045404013 0.576122267248} S18 117 0.0 1
17 {} {0.254201610537 0.884664646248 0.369097460873} Cl7 118 0.0 1
17 {} {0.761318756151 0.636525167911 0.554195806557} Cl8 119 0.0 1
17 {} {0.896064979217 0.907183521166 0.400772088986} Cl9 120 0.0 1
17 {} {0.11207869669 0.585797103989 0.516876992243} Cl10 121 0.0 1
17 {} {0.37653101277 0.735497879769 0.557782481427} Cl11 122 0.0 1
17 {} {0.659590219131 0.271752161028 0.343891424491} Cl13 123 0.0 1
17 {} {0.323513875222 0.640848329936 0.655756956704} Cl14 124 0.0 1
17 {} {0.574592369793 0.471472271265 0.711761583461} Cl15 125 0.0 1
8 {} {0.568080071407 0.862908859827 0.533926715457} O57 126 0.0 1
8 {} {0.442141390198 0.140651275002 0.387347708011} O58 127 0.0 1
8 {} {0.404214533337 0.445407453522 0.596491077258} O60 128 0.0 1
8 {} {0.0696773985964 0.85376409934 0.543998899072} O61 129 0.0 1
8 {} {0.949458175738 0.135851895669 0.36904734857} O62 130 0.0 1
8 {} {0.0521547343532 0.660698948415 0.743377730903} O63 131 0.0 1
8 {} {0.915921369517 0.435871147215 0.600995367091} O64 132 0.0 1
8 {} {0.825570922129 0.829977624048 0.563807522575} O65 133 0.0 1
8 {} {0.188342821441 0.15620129657 0.34363138422} O66 134 0.0 1
8 {} {0.797748674402 0.655858710142 0.73638204949} O67 135 0.0 1
8 {} {0.135799568275 0.412698530848 0.635632417828} O68 136 0.0 1
8 {} {0.00903666417255 0.789646109833 0.606756955793} O69 137 0.0 1
8 {} {0.0012474425044 0.199198402977 0.304268526105} O70 138 0.0 1
8 {} {0.944308132691 0.720406002694 0.689187851958} O71 139 0.0 1
8 {} {0.915047146722 0.378109911356 0.670492036948} O72 140 0.0 1
8 {} {0.546390968363 0.923125672424 0.467350495067} O74 141 0.0 1
8 {} {0.467804842103 0.0812990837809 0.453298453473} O75 142 0.0 1
8 {} {0.440418094783 0.503695270969 0.528207747344} O76 143 0.0 1
8 {} {0.337151297533 0.880241062471 0.505575560534} O77 144 0.0 1
8 {} {0.675565907879 0.124058534157 0.414367513976} O78 145 0.0 1
8 {} {0.640688064482 0.473559168011 0.571989189502} O79 146 0.0 1
8 {} {0.962616763143 0.766821051317 0.524789876943} O80 147 0.0 1
8 {} {0.0674700824642 0.222493002923 0.38538435251} O81 148 0.0 1
8 {} {0.937787088404 0.628733274249 0.669798272434} O82 149 0.0 1
8 {} {0.991292046205 0.470140322086 0.678889554361} O83 150 0.0 1
8 {} {0.488793820448 0.829919848417 0.456329475592} O84 151 0.0 1
8 {} {0.527180290797 0.174906437454 0.463471518553} O85 152 0.0 1
8 {} {0.492760323487 0.536324959814 0.607228065319} O87 153 0.0 1
8 {} {0.287043151983 0.978959852213 0.443649411889} O88 154 0.0 1
8 {} {0.707926214212 0.526618483947 0.47539474782} O89 155 0.0 1
8 {} {0.727783000233 0.787327360588 0.672899427221} O91 156 0.0 1
8 {} {0.127384096427 0.811447329314 0.702532983463} O92 157 0.0 1
8 {} {0.862608241855 0.793115855894 0.426327838719} O93 158 0.0 1
8 {} {0.169570828355 0.202330790557 0.479747982369} O94 159 0.0 1
8 {} {0.824350268174 0.543444747568 0.731948974274} O95 160 0.0 1
8 {} {0.118650327231 0.557141517401 0.623310171641} O96 161 0.0 1
8 {} {0.303722712372 0.835016876703 0.608518316753} O97 162 0.0 1
8 {} {0.733490337575 0.16147316818 0.304834671666} O98 163 0.0 1
8 {} {0.263887135548 0.735375304527 0.729274760823} O99 164 0.0 1
8 {} {0.65384018617 0.38420205749 0.638292669073} O100 165 0.0 1
8 {} {0.805808574953 0.93139344844 0.502677209592} O102 166 0.0 1
8 {} {0.116749400364 0.0660908956793 0.405357691583} O103 167 0.0 1
8 {} {0.140177975763 0.459199598421 0.537609739083} O104 168 0.0 1
8 {} {0.163769062312 0.809752156277 0.447776366236} O105 169 0.0 1
8 {} {0.866151277258 0.188110938736 0.462612927791} O106 170 0.0 1
8 {} {0.113547510689 0.5614834189 0.728700064828} O107 171 0.0 1
8 {} {0.814431737171 0.543639071058 0.620145109689} O108 172 0.0 1
8 {} {0.293858709006 0.786374538186 0.313441925688} O109 173 0.0 1
8 {} {0.621148066979 0.702223438365 0.629195601081} O110 174 0.0 1
1 {} {0.268854724395 0.955900299799 0.415522504819} H44 175 0.0 1
1 {} {0.726928447093 0.561438083346 0.489407547468} H45 176 0.0 1
1 {} {0.238871574566 0.96014488687 0.470162704768} H46 177 0.0 1
1 {} {0.763749404463 0.50253143106 0.493180168718} H47 178 0.0 1
1 {} {0.687699969564 0.753407929475 0.658279504922} H49 179 0.0 1
1 {} {0.182785218634 0.844843061471 0.700413535243} H50 180 0.0 1
1 {} {0.672916258942 0.814991819623 0.660181675946} H51 181 0.0 1
1 {} {0.188894454278 0.781924379535 0.713295890252} H52 182 0.0 1
1 {} {0.792401010341 0.781569407754 0.401233486263} H53 183 0.0 1
1 {} {0.23932037117 0.215472673831 0.50432616931} H54 184 0.0 1
1 {} {0.738047021809 0.517983677664 0.730472512739} H55 185 0.0 1
1 {} {0.189335985557 0.586826491987 0.633051559187} H56 186 0.0 1
1 {} {0.877668582736 0.832364846201 0.422033112382} H57 187 0.0 1
1 {} {0.14628441112 0.164754065934 0.487153916616} H58 188 0.0 1
1 {} {0.802138714062 0.57672258253 0.746583654529} H59 189 0.0 1
1 {} {0.0996819621604 0.562930488864 0.589022223851} H60 190 0.0 1
1 {} {0.346545304141 0.807002773103 0.590490756691} H61 191 0.0 1
1 {} {0.682476150966 0.191151191745 0.316262003684} H62 192 0.0 1
1 {} {0.310491466808 0.716365673393 0.704227533141} H63 193 0.0 1
1 {} {0.591234542439 0.408908650679 0.652493965066} H64 194 0.0 1
1 {} {0.219429937626 0.81713230524 0.622694641446} H66 195 0.0 1
1 {} {0.82834680303 0.178154198488 0.297360714185} H67 196 0.0 1
1 {} {0.188100107312 0.70876480641 0.739545259948} H68 197 0.0 1
1 {} {0.738082766161 0.388270132451 0.658964595934} H69 198 0.0 1
1 {} {0.872420428164 0.920425345079 0.478324798208} H71 199 0.0 1
1 {} {0.0413188346383 0.0902757557939 0.401972298817} H72 200 0.0 1
1 {} {0.0449902012957 0.45531920995 0.551213590903} H73 201 0.0 1
1 {} {0.71528808574 0.927599591283 0.484675760051} H74 202 0.0 1
1 {} {0.126195336994 0.0577218031206 0.439508488827} H75 203 0.0 1
1 {} {0.168396565404 0.496948573169 0.537488019543} H76 204 0.0 1
1 {} {0.184715095858 0.834845336973 0.420441595456} H77 205 0.0 1
1 {} {0.844810413014 0.171302088855 0.493985544404} H78 206 0.0 1
1 {} {0.0643448181592 0.544288718981 0.755657532332} H79 207 0.0 1
1 {} {0.809217660169 0.57353617871 0.597937104566} H80 208 0.0 1
1 {} {0.204683412566 0.829323223838 0.475353861278} H81 209 0.0 1
1 {} {0.808516742956 0.166744057774 0.439450460827} H82 210 0.0 1
1 {} {0.111978288392 0.600057987495 0.735779723631} H83 211 0.0 1
1 {} {0.756547297591 0.51391680892 0.605548526171} H84 212 0.0 1
1 {} {0.305916413378 0.822900710179 0.325747107687} H85 213 0.0 1
1 {} {0.67597292963 0.68802546372 0.602944835762} H86 214 0.0 1
1 {} {0.375558735145 0.781435968774 0.293917134786} H88 215 0.0 1
1 {} {0.529918090842 0.708618194803 0.615244291455} H89 216 0.0 1
19 {} {0.0668304552434 0.184932366006 0.595404781701} K15 217 0.0 1
19 {} {0.425928621212 0.115402259194 0.547530943949} K17 218 0.0 1
19 {} {0.296000541357 -0.00115131264793 0.678056997667} K18 219 0.0 1
12 {} {0.937170617623 0.797091957706 0.673959870626} Mg13 220 0.0 1
12 {} {0.497638829792 0.00136534566209 0.457758211112} Mg14 221 0.0 1
12 {} {0.958299110042 0.0488992709857 0.673360809238} Mg15 222 0.0 1
12 {} {0.733200082056 0.901373609479 0.56945023211} Mg16 223 0.0 1
16 {} {0.990239202339 0.924509076075 0.646427085834} S19 224 0.0 1
16 {} {0.494401804542 0.990045404013 0.576122267248} S20 225 0.0 1
17 {} {0.761318756151 0.136525167911 0.554195806557} Cl16 226 0.0 1
17 {} {0.11207869669 0.0857971039888 0.516876992243} Cl17 227 0.0 1
17 {} {0.574592369793 0.971472271265 0.711761583461} Cl18 228 0.0 1
8 {} {0.404214533337 0.945407453522 0.596491077258} O112 229 0.0 1
8 {} {0.915921369517 0.935871147215 0.600995367091} O113 230 0.0 1
8 {} {0.135799568275 0.912698530848 0.635632417828} O114 231 0.0 1
8 {} {0.915047146722 0.878109911356 0.670492036948} O115 232 0.0 1
8 {} {0.440418094783 0.00369527096946 0.528207747344} O117 233 0.0 1
8 {} {0.640688064482 0.973559168011 0.571989189502} O118 234 0.0 1
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