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{
"id": "jvasp-99629",
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"structure_string": "Sn2 Ge2 O6\n1.0\n4.943769 0.012652 5.091806\n2.073477 4.487951 5.091806\n0.019727 0.012652 7.096968\nSn Ge O\n2 2 6\ndirect\n0.166664 0.166664 0.166664 Sn\n0.833338 0.833335 0.833337 Sn\n0.392006 0.392004 0.392005 Ge\n0.607996 0.607994 0.607996 Ge\n0.106369 0.440883 0.776606 O\n0.440885 0.776605 0.106369 O\n0.223395 0.893631 0.559116 O\n0.776606 0.106368 0.440885 O\n0.559117 0.223394 0.893632 O\n0.893632 0.559115 0.223395 O\n",
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{
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"structure_string": "Sn2 Ge4 O12\n1.0\n5.468944 0.036628 1.266072\n1.498783 6.588415 0.684033\n0.129992 -0.078997 6.789575\nSn Ge O\n2 4 12\ndirect\n0.749999 0.896564 0.103435 Sn\n0.250000 0.103435 0.896565 Sn\n0.735660 0.392239 0.216529 Ge\n0.764338 0.783470 0.607761 Ge\n0.264338 0.607760 0.783471 Ge\n0.235661 0.216529 0.392239 Ge\n0.638766 0.957448 0.815926 O\n0.861232 0.184075 0.042551 O\n0.679194 0.623717 0.080142 O\n0.820804 0.919857 0.376283 O\n0.320804 0.376283 0.919858 O\n0.528092 0.655325 0.601356 O\n-0.028093 0.398644 0.344675 O\n0.138766 0.815924 0.957449 O\n0.028093 0.601355 0.655326 O\n0.471906 0.344674 0.398644 O\n0.179195 0.080142 0.623718 O\n0.361233 0.042551 0.184075 O\n",
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{
"id": "jvasp-103995",
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"structure_string": "Sn2 H16 C8 Cl4\n1.0\n3.991139 -0.001482 0.003465\n0.001675 5.993984 0.782007\n-0.011835 -0.105332 13.383367\nSn H C Cl\n2 16 8 4\ndirect\n0.092592 0.160459 0.038815 Sn\n0.137482 0.660467 0.538814 Sn\n0.988766 0.542248 0.115856 H\n0.412896 0.456773 0.134463 H\n0.810123 0.270584 0.264114 H\n0.241009 0.042254 0.615879 H\n0.816914 0.956693 0.634457 H\n0.419671 0.770523 0.764130 H\n0.007547 0.668596 0.780166 H\n0.222232 0.168635 0.280166 H\n0.240937 0.278675 0.461742 H\n0.419681 0.550400 0.313497 H\n0.007569 0.652350 0.297447 H\n0.412846 0.864124 0.943166 H\n0.988698 0.778697 0.961759 H\n0.222256 0.152297 0.797460 H\n0.810133 0.050378 0.813499 H\n0.816867 0.364297 0.443154 H\n0.151731 0.403309 0.145505 C\n0.074734 0.318990 0.254872 C\n0.078097 0.903279 0.645512 C\n0.074737 0.001953 0.822750 C\n0.155070 0.501996 0.322741 C\n0.078066 0.417673 0.432106 C\n0.151698 0.917615 0.932117 C\n0.155066 0.818945 0.754879 C\n0.600678 0.429773 0.643168 Cl\n0.629166 0.391116 0.934454 Cl\n0.629188 0.929804 0.143171 Cl\n0.600649 0.891168 0.434452 Cl\n",
"nsites": 30,
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{
"id": "jvasp-104006",
"created_at": "2022-09-04T14:36:52.971658Z",
"updated_at": "2022-09-04T14:36:52.971673Z",
"structure_string": "Sn2 H16 C8 F4\n1.0\n3.632211 0.031689 -0.319724\n-0.058913 5.213833 -1.044780\n-0.001630 -0.395476 13.516209\nSn H C F\n2 16 8 4\ndirect\n0.995438 0.982337 0.973336 Sn\n0.994601 0.982278 0.473330 Sn\n0.689273 0.537644 0.874371 H\n0.168966 0.495150 0.897421 H\n0.809035 0.745862 0.727484 H\n0.168442 0.495150 0.397434 H\n0.688754 0.537507 0.374303 H\n0.282702 0.701427 0.251522 H\n0.808613 0.745702 0.227437 H\n0.283085 0.701179 0.751456 H\n0.301196 0.426867 0.572282 H\n0.181426 0.218775 0.719185 H\n0.707374 0.263458 0.695226 H\n0.301715 0.427005 0.072348 H\n0.822059 0.469541 0.049251 H\n0.181866 0.218935 0.219231 H\n0.707773 0.263208 0.195162 H\n0.821537 0.469542 0.549263 H\n0.959773 0.614788 0.867265 C\n0.012819 0.620208 0.757108 C\n0.959253 0.614736 0.367247 C\n0.977929 0.344418 0.189565 C\n0.977633 0.344427 0.689566 C\n0.030650 0.349827 0.579405 C\n0.031174 0.349879 0.079422 C\n0.012535 0.620218 0.257109 C\n0.467677 0.099931 0.394396 F\n0.468250 0.099970 0.894397 F\n0.522745 0.864690 0.052276 F\n0.522169 0.864653 0.552275 F\n",
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{
"id": "jvasp-101973",
"created_at": "2022-09-04T14:37:04.135164Z",
"updated_at": "2022-09-04T14:37:04.135182Z",
"structure_string": "Sn2 H16 C8 F4\n1.0\n4.269866 0.073776 -0.320759\n-1.738391 4.299468 -0.088712\n0.275159 -0.072247 14.189947\nSn H C F\n2 16 8 4\ndirect\n-0.031622 0.924752 0.949054 Sn\n0.715146 0.059081 0.471616 Sn\n0.602989 0.495672 0.828721 H\n0.013817 0.631011 0.789336 H\n0.522409 0.715813 0.682122 H\n0.564295 0.255535 0.306697 H\n0.005394 0.390390 0.332985 H\n0.567050 0.730823 0.254700 H\n0.999138 0.850576 0.287467 H\n0.554908 0.010933 0.767092 H\n0.080586 0.488130 0.591950 H\n0.161130 0.267980 0.738550 H\n0.128632 0.972862 0.653578 H\n0.678028 0.593401 0.087665 H\n0.119114 0.728257 0.113984 H\n0.684218 0.133177 0.133192 H\n0.116299 0.252967 0.165968 H\n0.669768 0.352832 0.631341 H\n0.809347 0.702554 0.810453 C\n0.697410 0.881704 0.735579 C\n0.775142 0.183994 0.327623 C\n0.880806 0.050394 0.160641 C\n0.986136 0.102096 0.685091 C\n0.874214 0.281261 0.610219 C\n0.908281 0.799800 0.093042 C\n0.802561 0.933379 0.260023 C\n0.547486 0.590711 0.471319 F\n0.136059 0.393132 0.949366 F\n0.493838 0.024219 0.947786 F\n0.189675 0.959588 0.472871 F\n",
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},
{
"id": "jvasp-112209",
"created_at": "2022-09-04T14:38:46.680337Z",
"updated_at": "2022-09-04T14:38:46.680363Z",
"structure_string": "Sn2 H16 C8 F4\n1.0\n4.422193 0.011810 -0.034387\n-1.841858 7.114428 -0.316533\n0.037711 0.011421 8.824541\nSn H C F\n2 16 8 4\ndirect\n0.999492 0.896753 0.008952 Sn\n0.429489 0.580829 0.497564 Sn\n0.122445 0.849096 0.722152 H\n0.815568 0.964535 0.729734 H\n0.379420 0.142233 0.631860 H\n0.334590 0.626133 0.204551 H\n0.648526 0.519195 0.226802 H\n0.240154 0.294817 0.087121 H\n0.945886 0.327358 0.212086 H\n0.487291 0.176271 0.824262 H\n0.049693 0.335527 0.874742 H\n0.306538 0.628634 0.784335 H\n0.613457 0.513227 0.776826 H\n0.780519 0.958488 0.279715 H\n0.094440 0.851539 0.301979 H\n0.483176 0.150311 0.294404 H\n0.188927 0.182856 0.419377 H\n0.941729 0.301439 0.682351 H\n0.048515 0.968488 0.774654 C\n0.284870 0.153951 0.746453 C\n0.405733 0.510688 0.257276 C\n0.237311 0.156695 0.298334 C\n0.144185 0.323772 0.760141 C\n0.380508 0.509226 0.731889 C\n0.023305 0.966977 0.249237 C\n0.191750 0.320974 0.208161 C\n0.527215 0.860448 0.506825 F\n0.901728 0.617137 -0.000288 F\n0.501612 0.896159 0.010141 F\n0.927290 0.581204 0.496345 F\n",
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{
"id": "jvasp-33344",
"created_at": "2022-09-04T14:38:06.553123Z",
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"structure_string": "Sn2 H16 C8 I8\n1.0\n9.334151 -0.000000 0.000000\n-0.000000 9.334151 -0.000000\n-0.000000 0.000000 7.295601\nSn H C I\n2 16 8 8\ndirect\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.298210 0.534299 0.724385 H\n0.701790 0.465701 0.724385 H\n0.798210 0.965701 0.775615 H\n0.465701 0.298210 0.275615 H\n0.965701 0.201790 0.224385 H\n0.534299 0.701790 0.275615 H\n0.034299 0.798210 0.224385 H\n0.201790 0.034299 0.775615 H\n0.240983 0.156916 0.591273 H\n0.740983 0.343084 0.908727 H\n0.759017 0.843084 0.591273 H\n0.343084 0.259017 0.091273 H\n0.843084 0.240983 0.408727 H\n0.656916 0.740983 0.091273 H\n0.156916 0.759017 0.408727 H\n0.259017 0.656916 0.908727 H\n0.343835 0.606783 0.827150 C\n0.156165 0.106783 0.672850 C\n0.656165 0.393217 0.827150 C\n0.843835 0.893217 0.672850 C\n0.393217 0.343835 0.172850 C\n0.606783 0.656165 0.172850 C\n0.106783 0.843835 0.327150 C\n0.893217 0.156165 0.327150 C\n0.059039 0.280769 0.825787 I\n0.280769 0.940961 0.174213 I\n0.780769 0.559039 0.325787 I\n0.719231 0.059039 0.174213 I\n0.219231 0.440961 0.325787 I\n0.940961 0.719231 0.825787 I\n0.559039 0.219231 0.674213 I\n0.440961 0.780769 0.674213 I\n",
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{
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"structure_string": "Sn2 H18 C18 N2 O8\n1.0\n6.223331 0.128707 1.397154\n1.878528 8.316528 1.655507\n0.127523 0.305817 9.423473\nSn H C N O\n2 18 18 2 8\ndirect\n0.757918 0.779280 0.524886 Sn\n0.257658 0.779474 0.024924 Sn\n0.742569 0.328001 0.189326 H\n0.891312 0.786259 0.928174 H\n0.822919 0.786563 0.124332 H\n0.516215 0.095845 -0.015038 H\n0.987699 0.517388 0.044496 H\n0.503772 0.719845 0.237135 H\n0.855504 0.970520 -0.006442 H\n0.870074 0.555083 0.757052 H\n0.610679 0.574210 0.114981 H\n0.242925 0.327920 0.689280 H\n0.488113 0.517249 0.544439 H\n0.323294 0.786259 0.624578 H\n0.355641 0.970204 0.493705 H\n0.004037 0.719574 0.737147 H\n0.391401 0.785883 0.428428 H\n0.369818 0.555316 0.257148 H\n0.016528 0.095640 0.484950 H\n0.110964 0.574022 0.614917 H\n0.430817 0.428244 0.933255 C\n0.915299 0.283842 0.141920 C\n0.910784 0.838503 0.018029 C\n0.003397 0.117488 0.162234 C\n0.346528 0.150862 0.031328 C\n0.051698 0.386618 0.064011 C\n0.273938 0.320512 0.011966 C\n0.859277 0.013312 0.264543 C\n0.461632 0.639759 0.179777 C\n0.774311 0.320339 0.511933 C\n0.552083 0.386478 0.563971 C\n0.415650 0.283733 0.641886 C\n0.503695 0.117373 0.662217 C\n0.846852 0.150684 0.531316 C\n0.931207 0.428053 0.433204 C\n0.961905 0.639546 0.679724 C\n0.410989 0.838194 0.518204 C\n0.359485 0.013271 0.764538 C\n0.213714 0.050274 0.101589 N\n0.714001 0.050119 0.601587 N\n0.468834 0.882886 0.843352 O\n0.834767 0.582759 0.400116 O\n0.155636 0.055714 0.779402 O\n0.632220 0.369108 0.901764 O\n0.968763 0.882882 0.343245 O\n0.655423 0.055703 0.279486 O\n0.132605 0.368903 0.401713 O\n0.334351 0.582940 0.900191 O\n",
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{
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"structure_string": "Sn2 H20 Cl8 O10\n1.0\n6.197766 4.856061 -0.066146\n-6.197766 4.856061 0.066146\n-2.179236 0.000000 8.304115\nSn H Cl O\n2 20 8 10\ndirect\n0.743245 0.743246 0.750000 Sn\n0.256754 0.256754 0.250000 Sn\n0.869167 0.428659 0.249611 H\n0.571341 0.130833 0.749611 H\n0.614441 0.382848 0.335928 H\n0.531871 0.306162 0.513986 H\n0.398088 0.210041 0.721507 H\n0.617152 0.385559 0.835929 H\n0.908101 0.843184 0.342078 H\n0.843184 0.908101 0.157922 H\n0.693838 0.468129 0.013985 H\n0.789959 0.601912 0.221507 H\n0.156816 0.091899 0.842078 H\n0.091899 0.156817 0.657922 H\n0.382848 0.614441 0.164072 H\n0.601912 0.789959 0.278493 H\n0.468129 0.693838 0.486015 H\n0.385559 0.617152 0.664072 H\n0.210040 0.398088 0.778493 H\n0.428659 0.869167 0.250390 H\n0.130833 0.571341 0.750390 H\n0.306162 0.531871 0.986015 H\n0.978110 0.209387 0.061675 Cl\n0.790612 0.021890 0.561675 Cl\n0.413671 0.132296 0.098123 Cl\n0.867704 0.586329 0.598123 Cl\n0.132296 0.413671 0.401878 Cl\n0.209387 0.978110 0.438325 Cl\n0.021890 0.790613 0.938326 Cl\n0.586329 0.867704 0.901878 Cl\n0.527107 0.242117 0.710134 O\n0.242117 0.527107 0.789867 O\n0.472893 0.757883 0.289867 O\n0.492646 0.654375 0.607268 O\n0.185437 0.185438 0.750000 O\n0.345625 0.507354 0.107268 O\n0.654374 0.492646 0.892733 O\n0.814562 0.814562 0.250000 O\n0.507354 0.345625 0.392733 O\n0.757883 0.472893 0.210133 O\n",
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"formula_full": "Sn2 H20 Cl8 O10",
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{
"id": "jvasp-101974",
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{
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}