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{
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{
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"structure_string": "K8 Ca8 S12 O48\n1.0\n10.427200 0.000000 0.000000\n0.000000 10.565217 0.000000\n0.000000 0.000000 10.639885\nK Ca S O\n8 8 12 48\ndirect\n0.309231 0.671399 0.184579 K\n0.190769 0.328601 0.684579 K\n0.440201 0.972287 0.564387 K\n0.690769 0.171399 0.315421 K\n0.059799 0.027713 0.064387 K\n0.559799 0.472287 0.935613 K\n0.940201 0.527713 0.435613 K\n0.809231 0.828601 0.815421 K\n0.331392 0.309146 0.342325 Ca\n0.831392 0.190854 0.657675 Ca\n0.668608 0.809146 0.157675 Ca\n0.168608 0.690854 0.842325 Ca\n0.577058 0.605793 0.592153 Ca\n0.422942 0.105793 0.907847 Ca\n0.922942 0.394207 0.092153 Ca\n0.077058 0.894207 0.407847 Ca\n0.132191 0.001281 0.718124 S\n0.632191 0.498719 0.281876 S\n0.867809 0.501281 0.781876 S\n0.367809 0.998719 0.218124 S\n0.251523 0.610746 0.508019 S\n0.751523 0.889254 0.491981 S\n0.748477 0.110746 0.991981 S\n0.248477 0.389254 0.008019 S\n0.477804 0.787876 0.871936 S\n0.022196 0.212124 0.371936 S\n0.522196 0.287876 0.628064 S\n0.977804 0.712124 0.128064 S\n0.081354 0.899416 0.801939 O\n0.581354 0.600584 0.198061 O\n0.918646 0.399416 0.698061 O\n0.418646 0.100584 0.301939 O\n0.241091 0.067715 0.780586 O\n0.741091 0.432285 0.219414 O\n0.758909 0.567715 0.719414 O\n0.258909 0.932285 0.280586 O\n0.029706 0.094991 0.691757 O\n0.529706 0.405009 0.308243 O\n0.970294 0.594991 0.808243 O\n0.470294 0.905009 0.191757 O\n0.179168 0.943475 0.598639 O\n0.679168 0.556525 0.401361 O\n0.820832 0.443475 0.901361 O\n0.320832 0.056525 0.098639 O\n0.383427 0.661732 0.490972 O\n0.883427 0.838268 0.509028 O\n0.159453 0.690734 0.435708 O\n0.616573 0.161732 0.009028 O\n0.243178 0.479287 0.456851 O\n0.743178 0.020713 0.543149 O\n0.756822 0.979287 0.043149 O\n0.256822 0.520713 0.956851 O\n0.214106 0.607163 0.642758 O\n0.714106 0.892837 0.357242 O\n0.785894 0.107163 0.857242 O\n0.285894 0.392837 0.142758 O\n0.024777 0.303952 0.266121 O\n0.524777 0.196048 0.733879 O\n0.975223 0.803952 0.233879 O\n0.475223 0.696048 0.766121 O\n0.989570 0.083059 0.324503 O\n0.489570 0.416941 0.675497 O\n0.010430 0.583059 0.175497 O\n0.510430 0.916941 0.824503 O\n0.922559 0.254018 0.463468 O\n0.422559 0.245982 0.536532 O\n0.077441 0.754018 0.036532 O\n0.577441 0.745982 0.963468 O\n0.150865 0.209269 0.432708 O\n0.650865 0.290731 0.567292 O\n0.849135 0.709269 0.067292 O\n0.349135 0.790731 0.932708 O\n0.340547 0.309266 0.935708 O\n0.840547 0.190734 0.064292 O\n0.659453 0.809266 0.564292 O\n0.116573 0.338268 0.990972 O\n",
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"formula_full": "K8 Ca8 S12 O48",
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{
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"structure_string": "K2 Ti2 O5\n1.0\n1.903486 5.762372 0.000000\n-1.903486 5.762372 0.000000\n0.000000 1.111730 6.638340\nK Ti O\n2 2 5\ndirect\n0.401296 0.401296 0.351894 K\n0.598704 0.598704 0.648106 K\n0.147379 0.147379 0.091827 Ti\n0.852621 0.852621 0.908173 Ti\n0.322097 0.322097 0.989161 O\n0.677903 0.677903 0.010839 O\n0.125662 0.125662 0.352613 O\n0.874338 0.874338 0.647387 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:39:36.222948Z",
"structure_string": "K4 Mn4 O8\n1.0\n5.813679 0.000229 -0.000006\n-2.907089 -6.682739 0.001130\n0.000002 -0.000036 -6.539878\nK Mn O\n4 4 8\ndirect\n0.499995 0.499985 0.000113 K\n0.999995 0.499985 0.000113 K\n0.999985 0.999975 0.499881 K\n0.499985 0.999975 0.499881 K\n0.499995 0.499985 0.500141 Mn\n0.499995 0.000002 0.999869 Mn\n0.999997 0.499987 0.500142 Mn\n0.999993 0.999998 0.999869 Mn\n0.193869 0.387746 0.341963 O\n0.693878 0.387746 0.341963 O\n0.693880 0.887753 0.158004 O\n0.193871 0.887752 0.158005 O\n0.806157 0.612304 0.658261 O\n0.306148 0.612303 0.658261 O\n0.306146 0.112299 0.841766 O\n0.806154 0.112300 0.841766 O\n",
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{
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"structure_string": "H28 N4 O24\n1.0\n3.591300 0.000000 0.000000\n0.000000 9.877720 0.000000\n0.000000 0.000000 14.220427\nH N O\n28 4 24\ndirect\n0.772024 0.564608 0.194347 H\n0.460782 0.635737 0.128275 H\n0.272024 0.935392 0.805653 H\n0.960782 0.864263 0.871725 H\n0.227976 0.064608 0.305653 H\n0.539218 0.135737 0.371725 H\n0.727976 0.435392 0.694347 H\n0.039218 0.364263 0.628275 H\n0.587297 0.594457 0.463253 H\n0.633904 0.433306 0.440572 H\n0.688826 0.478070 0.557277 H\n0.087297 0.905543 0.536747 H\n0.133904 0.066694 0.559428 H\n0.188826 0.021930 0.442723 H\n0.412703 0.094457 0.036747 H\n0.311174 0.978070 0.942723 H\n0.366096 0.933306 0.059428 H\n0.912703 0.405543 0.963253 H\n0.811174 0.521930 0.057277 H\n0.866096 0.566694 0.940572 H\n0.019816 0.268891 0.415777 H\n0.880989 0.306366 0.316173 H\n0.519816 0.231109 0.584223 H\n0.380989 0.193634 0.683827 H\n0.119011 0.806366 0.183827 H\n0.980184 0.768891 0.084223 H\n0.480184 0.731109 0.915777 H\n0.619011 0.693634 0.816173 H\n0.836487 0.721552 0.332992 N\n0.336487 0.778448 0.667008 N\n0.163513 0.221552 0.167008 N\n0.663513 0.278448 0.832992 N\n0.921951 0.603374 0.304441 O\n0.421951 0.896626 0.695559 O\n0.078049 0.103374 0.195559 O\n0.578049 0.396626 0.804441 O\n0.903282 0.824934 0.282631 O\n0.403282 0.675066 0.717369 O\n0.096718 0.324934 0.217369 O\n0.596718 0.175066 0.782631 O\n0.683452 0.737133 0.412422 O\n0.183452 0.762867 0.587578 O\n0.316548 0.237133 0.087578 O\n0.816548 0.262867 0.912422 O\n0.637053 0.558584 0.133005 O\n0.137053 0.941416 0.866995 O\n0.362947 0.058584 0.366995 O\n0.862947 0.441416 0.633005 O\n0.536501 0.499040 0.488625 O\n0.036501 0.000960 0.511375 O\n0.463499 0.999040 0.011375 O\n0.963499 0.500960 0.988625 O\n0.789028 0.291286 0.383486 O\n0.289028 0.208714 0.616514 O\n0.210972 0.791286 0.116514 O\n0.710972 0.708714 0.883486 O\n",
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{
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"structure_string": "Na16 Zn8 Ge16 H32 O64\n1.0\n8.838708 0.000000 0.000000\n0.000000 13.144533 0.000000\n0.000000 0.000000 13.263048\nNa Zn Ge H O\n16 8 16 32 64\ndirect\n0.744332 0.874441 0.147228 Na\n0.755668 0.374441 0.352772 Na\n0.755668 0.125559 0.647228 Na\n0.744332 0.625559 0.852772 Na\n0.255668 0.125559 0.852772 Na\n0.244332 0.625559 0.647228 Na\n0.244332 0.874441 0.352772 Na\n0.255668 0.374441 0.147228 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.494402 0.750000 0.000000 Na\n0.005598 0.250000 0.500000 Na\n0.505598 0.250000 0.000000 Na\n0.994402 0.750000 0.500000 Na\n0.876206 0.627072 0.251328 Zn\n0.623794 0.127072 0.248672 Zn\n0.623794 0.372928 0.751328 Zn\n0.876206 0.872928 0.748672 Zn\n0.123794 0.372928 0.748672 Zn\n0.376206 0.872928 0.751328 Zn\n0.376206 0.627072 0.248672 Zn\n0.123794 0.127072 0.251328 Zn\n0.874039 0.000664 0.377535 Ge\n0.625961 0.500664 0.122465 Ge\n0.625961 0.999336 0.877535 Ge\n0.874039 0.499336 0.622465 Ge\n0.125961 0.999336 0.622465 Ge\n0.374039 0.499336 0.877535 Ge\n0.374039 0.000664 0.122465 Ge\n0.125961 0.500664 0.377535 Ge\n0.120382 0.752268 0.120692 Ge\n0.379618 0.252268 0.379308 Ge\n0.379618 0.247732 0.620692 Ge\n0.120382 0.747732 0.879308 Ge\n0.879618 0.247732 0.879308 Ge\n0.620382 0.747732 0.620692 Ge\n0.620382 0.752268 0.379308 Ge\n0.879618 0.252268 0.120692 Ge\n0.090533 0.920495 0.169238 H\n0.409467 0.420495 0.330762 H\n0.409467 0.079505 0.669238 H\n0.090533 0.579505 0.830762 H\n0.909467 0.079505 0.830762 H\n0.590533 0.579505 0.669238 H\n0.590533 0.920495 0.330762 H\n0.909467 0.420495 0.169238 H\n0.902838 0.832722 0.329490 H\n0.597162 0.332722 0.170510 H\n0.597162 0.167278 0.829490 H\n0.902838 0.667278 0.670510 H\n0.097162 0.167278 0.670510 H\n0.402838 0.667278 0.829490 H\n0.402838 0.832722 0.170510 H\n0.097162 0.332722 0.329490 H\n0.849509 0.957938 0.545964 H\n0.650491 0.457938 0.954036 H\n0.650491 0.042062 0.045964 H\n0.849509 0.542062 0.454036 H\n0.150491 0.042062 0.454036 H\n0.349509 0.542062 0.045964 H\n0.349509 0.957938 0.954036 H\n0.150491 0.457938 0.545964 H\n0.846182 0.709175 0.044828 H\n0.653818 0.209175 0.455172 H\n0.653818 0.290825 0.544828 H\n0.846182 0.790825 0.955172 H\n0.153818 0.290825 0.955172 H\n0.346182 0.790825 0.544828 H\n0.346182 0.709175 0.455172 H\n0.153818 0.209175 0.044828 H\n0.021305 0.873292 0.131550 O\n0.478695 0.373292 0.368450 O\n0.478695 0.126708 0.631550 O\n0.021305 0.626708 0.868450 O\n0.978695 0.126708 0.868450 O\n0.521305 0.626708 0.631550 O\n0.521305 0.873292 0.368450 O\n0.978695 0.373292 0.131550 O\n0.972179 0.879300 0.367581 O\n0.527821 0.379300 0.132419 O\n0.527821 0.120700 0.867581 O\n0.972179 0.620700 0.632419 O\n0.027821 0.120700 0.632419 O\n0.472179 0.620700 0.867581 O\n0.472179 0.879300 0.132419 O\n0.027821 0.379300 0.367581 O\n0.783706 0.000555 0.500565 O\n0.716294 0.500555 0.999435 O\n0.716294 0.999445 0.000565 O\n0.783706 0.499445 0.499435 O\n0.216294 0.999445 0.499435 O\n0.283706 0.499445 0.000565 O\n0.283706 0.000555 0.999435 O\n0.216294 0.500555 0.500565 O\n0.982953 0.656227 0.122789 O\n0.517047 0.156227 0.377211 O\n0.517047 0.343773 0.622789 O\n0.982953 0.843773 0.877211 O\n0.017047 0.343773 0.877211 O\n0.482953 0.843773 0.622789 O\n0.482953 0.656227 0.377211 O\n0.017047 0.156227 0.122789 O\n0.214812 0.750000 0.000000 O\n0.285188 0.250000 0.500000 O\n0.785188 0.250000 0.000000 O\n0.714812 0.750000 0.500000 O\n0.011286 0.097023 0.377000 O\n0.488714 0.597023 0.123000 O\n0.488714 0.902977 0.877000 O\n0.011286 0.402977 0.623000 O\n0.988714 0.902977 0.623000 O\n0.511286 0.402977 0.877000 O\n0.511286 0.097023 0.123000 O\n0.988714 0.597023 0.377000 O\n0.733201 0.000379 0.284345 O\n0.766799 0.500379 0.215655 O\n0.766799 0.999621 0.784345 O\n0.733201 0.499621 0.715655 O\n0.266799 0.999621 0.715655 O\n0.233201 0.499621 0.784345 O\n0.233201 0.000379 0.215655 O\n0.266799 0.500379 0.284345 O\n0.760594 0.751807 0.285692 O\n0.739406 0.251807 0.214308 O\n0.739406 0.248193 0.785692 O\n0.760594 0.748193 0.714308 O\n0.239406 0.248193 0.714308 O\n0.260594 0.748193 0.785692 O\n0.260594 0.751807 0.214308 O\n0.239406 0.251807 0.285692 O\n0.777209 0.750000 0.000000 O\n0.722791 0.250000 0.500000 O\n0.222791 0.250000 0.000000 O\n0.277209 0.750000 0.500000 O\n",
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{
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