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{
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{
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"structure_string": "K2 Li14 Pb3 O14\n1.0\n6.547872 -0.000000 -3.156526\n-1.829061 6.785737 -3.794189\n0.024837 0.015224 8.421211\nK Li Pb O\n2 14 3 14\ndirect\n0.242375 0.500000 -0.000000 K\n0.757625 0.500000 -0.000000 K\n0.139370 0.709549 0.733094 Li\n0.860630 0.976456 0.266906 Li\n0.593724 0.023544 0.733093 Li\n0.500000 0.841347 -0.000000 Li\n0.500000 0.158653 -0.000000 Li\n0.769607 0.414319 0.539213 Li\n0.230393 0.585680 0.460787 Li\n0.230393 0.875106 0.460787 Li\n0.769607 0.124894 0.539213 Li\n0.593724 0.709549 0.733093 Li\n0.860630 0.290451 0.266906 Li\n0.406276 0.976456 0.266906 Li\n0.139370 0.023544 0.733094 Li\n0.406276 0.290451 0.266906 Li\n0.727144 0.727144 0.454288 Pb\n0.000000 0.000000 0.000000 Pb\n0.272857 0.272856 0.545712 Pb\n0.045367 0.751521 0.503042 O\n0.542325 0.248479 0.496958 O\n0.954633 0.248479 0.496957 O\n0.457675 0.751521 0.503042 O\n0.702404 0.000000 -0.000000 O\n0.297596 0.000000 -0.000000 O\n0.873357 0.682234 0.746713 O\n0.126643 0.317766 0.253286 O\n0.126644 0.935521 0.253287 O\n0.873357 0.064480 0.746713 O\n0.626042 0.408908 0.252084 O\n0.373959 0.591092 0.747915 O\n0.373958 0.156823 0.747915 O\n0.626042 0.843177 0.252084 O\n",
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{
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"structure_string": "Ti1 H18 C10 O4\n1.0\n4.853474 0.105298 0.984339\n0.899336 6.539061 1.421801\n-0.221833 -0.099609 8.851490\nTi H C O\n1 18 10 4\ndirect\n0.252022 0.259730 0.813203 Ti\n0.429357 0.623734 0.126061 H\n0.481583 0.389806 0.253497 H\n0.945114 0.635280 0.087996 H\n0.000754 0.399109 0.210457 H\n0.870743 0.579803 0.675575 H\n0.004979 0.657836 0.360491 H\n0.696383 0.557971 0.434050 H\n0.223581 0.564966 0.577494 H\n0.129581 0.662718 0.758426 H\n0.423501 0.859063 0.280471 H\n-0.019469 0.920204 0.920738 H\n0.507418 0.881756 0.550871 H\n0.439639 0.117678 0.429004 H\n0.205189 0.955016 0.050068 H\n0.953155 0.133569 0.368623 H\n0.024250 0.897301 0.491158 H\n0.353117 0.853983 0.874061 H\n0.731329 0.958176 0.200652 H\n0.585030 0.486609 0.153369 C\n0.848584 0.540187 0.190904 C\n0.800583 0.650215 0.331191 C\n0.631260 0.866924 0.305449 C\n0.594576 0.977998 0.445092 C\n0.636486 0.376074 0.015577 C\n0.844906 0.141034 0.610032 C\n0.090084 0.552870 0.691267 C\n0.181602 0.959788 0.927889 C\n0.864605 0.033815 0.472163 C\n0.877574 0.328120 0.949266 O\n0.066012 0.169952 0.646009 O\n0.602278 0.198079 0.685502 O\n0.418065 0.336635 0.972123 O\n",
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{
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"structure_string": "Cd11 I22\n1.0\n4.287337 -0.000000 -0.000000\n-2.143669 3.712943 -0.000000\n-0.000000 0.000000 75.639552\nCd I\n11 22\ndirect\n0.666667 0.333333 0.204539 Cd\n0.666667 0.333333 0.295465 Cd\n0.666667 0.333333 0.477260 Cd\n0.666667 0.333333 0.749971 Cd\n0.666667 0.333333 0.113640 Cd\n0.666667 0.333333 0.659083 Cd\n0.666667 0.333333 0.386386 Cd\n-0.000000 -0.000000 0.840904 Cd\n0.666667 0.333333 0.022730 Cd\n0.666667 0.333333 0.931810 Cd\n-0.000000 -0.000000 0.568169 Cd\n0.333333 0.666667 0.227460 I\n0.666667 0.333333 0.817996 I\n0.333333 0.666667 0.682003 I\n-0.000000 -0.000000 0.090725 I\n0.666667 0.333333 0.545262 I\n0.333333 0.666667 0.318387 I\n-0.000000 -0.000000 0.999816 I\n-0.000000 -0.000000 0.272550 I\n-0.000000 -0.000000 0.908896 I\n0.333333 0.666667 0.045652 I\n-0.000000 -0.000000 0.636171 I\n-0.000000 -0.000000 0.727059 I\n0.333333 0.666667 0.954731 I\n0.333333 0.666667 0.863832 I\n0.333333 0.666667 0.136561 I\n-0.000000 -0.000000 0.181624 I\n0.333333 0.666667 0.409305 I\n-0.000000 -0.000000 0.454350 I\n0.333333 0.666667 0.591097 I\n-0.000000 -0.000000 0.363471 I\n0.333333 0.666667 0.772901 I\n0.333333 0.666667 0.500189 I\n",
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{
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"structure_string": "Ti1 H18 C10 O4\n1.0\n5.980833 0.047549 -0.497683\n-0.587334 5.167356 -1.250212\n-0.140328 0.196373 9.145730\nTi H C O\n1 18 10 4\ndirect\n0.692823 0.358115 0.690260 Ti\n0.181719 0.909568 0.231646 H\n0.047134 0.130488 0.606951 H\n0.889303 0.734468 0.900998 H\n-0.003838 0.786998 0.733744 H\n0.092971 0.533762 0.820506 H\n0.158890 0.650633 0.073137 H\n0.787790 0.936833 0.522853 H\n0.219788 0.347368 0.250859 H\n0.892584 0.192079 0.440135 H\n0.083695 0.612974 0.517727 H\n0.266977 0.856132 0.478943 H\n0.411835 0.796294 0.903172 H\n0.269349 0.046146 -0.006086 H\n0.570299 0.163964 0.208861 H\n0.758419 0.978056 0.107486 H\n0.582842 0.778372 0.303599 H\n0.550304 0.576431 0.121672 H\n0.972321 0.502388 0.262523 H\n0.497107 0.753857 0.188612 C\n0.580118 0.985255 0.125236 C\n0.438878 -0.009039 0.977035 C\n0.225648 0.646457 0.454063 C\n0.157170 0.536303 0.284626 C\n0.536162 0.152612 0.879722 C\n0.413093 0.534404 0.528914 C\n0.879621 0.130566 0.546580 C\n0.949623 0.639575 0.795406 C\n0.240437 0.720279 0.189118 C\n0.459282 0.303030 0.486223 O\n0.407200 0.242196 0.786526 O\n0.750174 0.199027 0.876852 O\n0.532801 0.670905 0.649360 O\n",
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{
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"structure_string": "V18 C15\n1.0\n2.555824 -4.426817 0.000000\n2.555824 4.426817 -0.000000\n-0.000000 -0.000000 14.386703\nV C\n18 15\ndirect\n0.248677 0.470709 0.418476 V\n0.888329 0.753326 0.423570 V\n0.246672 0.135003 0.756903 V\n0.888330 0.135002 0.576430 V\n0.864996 0.753326 0.909763 V\n0.246672 0.111669 0.243097 V\n0.527707 0.416989 0.582292 V\n0.889280 0.472291 0.248958 V\n0.583010 0.110718 0.915625 V\n0.864996 0.111668 0.090236 V\n0.889280 0.416988 0.751042 V\n0.583010 0.472292 0.084375 V\n0.248676 0.777967 0.581523 V\n0.529289 0.751321 0.248190 V\n0.222032 0.470709 0.914856 V\n0.222031 0.751322 0.085143 V\n0.529289 0.777967 0.751810 V\n0.527707 0.110718 0.417708 V\n0.554163 0.445836 0.333333 C\n0.559339 0.779669 0.000000 C\n0.220329 0.440660 0.666667 C\n0.220329 0.779669 0.333333 C\n0.215539 0.107769 0.500000 C\n0.892229 0.784459 0.166667 C\n0.555996 0.444003 0.833333 C\n0.888006 0.444002 0.500000 C\n0.555996 0.111992 0.166667 C\n0.560253 0.780126 0.500000 C\n0.219872 0.439745 0.166667 C\n0.219872 0.780127 0.833333 C\n0.554163 0.108325 0.666667 C\n0.892230 0.107768 0.833333 C\n0.891673 0.445835 0.000000 C\n",
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{
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"structure_string": "Sn1 H18 C10 O4\n1.0\n4.547978 0.042242 0.090996\n1.422530 6.638557 2.311628\n-0.212367 -0.254103 9.434039\nSn H C O\n1 18 10 4\ndirect\n0.275397 0.305223 0.334398 Sn\n0.504514 0.640392 0.884861 H\n0.235874 0.958072 0.296732 H\n-0.012047 0.685090 0.318260 H\n0.865340 0.611584 0.164036 H\n0.220123 0.682690 0.163707 H\n0.383337 0.831869 0.716658 H\n0.507464 0.915569 0.448897 H\n0.973583 0.508550 0.780593 H\n0.107522 0.963939 0.476040 H\n0.419083 0.598232 0.560932 H\n0.502765 0.395961 0.720334 H\n0.920685 0.019816 0.063566 H\n0.823921 0.225190 0.905345 H\n0.360916 0.104113 0.849065 H\n0.454501 0.902011 0.012919 H\n0.955700 0.784137 0.908606 H\n0.831595 0.976337 0.740852 H\n0.890218 0.709578 0.615652 H\n0.751811 0.876223 0.838430 C\n0.553263 0.001780 0.922848 C\n0.726585 0.119502 0.990791 C\n0.609759 0.496916 0.635986 C\n0.785674 0.612287 0.704613 C\n0.531836 0.234240 0.081020 C\n0.797485 0.375842 0.548424 C\n0.281194 0.994226 0.398252 C\n0.058409 0.611721 0.233381 C\n0.586333 0.739681 0.787622 C\n0.082845 0.345257 0.560143 O\n0.660674 0.250866 0.199271 O\n0.253138 0.301046 0.050523 O\n0.674428 0.307846 0.456596 O\n",
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{
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"updated_at": "2022-09-04T14:38:33.998806Z",
"structure_string": "Rb2 Li14 Pb3 O14\n1.0\n6.574561 0.000000 -3.166436\n-1.825541 6.808078 -3.790420\n0.018112 0.003405 8.446299\nRb Li Pb O\n2 14 3 14\ndirect\n0.231743 0.500000 -0.000000 Rb\n0.768257 0.500000 -0.000000 Rb\n0.138621 0.709924 0.731967 Li\n0.861379 0.977959 0.268034 Li\n0.593345 0.022042 0.731966 Li\n0.500000 0.841469 -0.000000 Li\n0.500000 0.158531 -0.000000 Li\n0.768536 0.413907 0.537072 Li\n0.231464 0.586094 0.462928 Li\n0.231464 0.876836 0.462928 Li\n0.768536 0.123165 0.537072 Li\n0.593345 0.709924 0.731966 Li\n0.861379 0.290077 0.268034 Li\n0.406655 0.977959 0.268034 Li\n0.138621 0.022042 0.731966 Li\n0.406655 0.290077 0.268034 Li\n0.727382 0.727383 0.454764 Pb\n0.000000 0.000000 0.000000 Pb\n0.272618 0.272618 0.545236 Pb\n0.044854 0.751375 0.502749 O\n0.542104 0.248626 0.497251 O\n0.955145 0.248626 0.497251 O\n0.457896 0.751375 0.502749 O\n0.702886 -0.000000 -0.000000 O\n0.297114 -0.000000 -0.000000 O\n0.873081 0.682779 0.746163 O\n0.126919 0.317222 0.253837 O\n0.126919 0.936615 0.253837 O\n0.873081 0.063386 0.746163 O\n0.627899 0.408358 0.255797 O\n0.372101 0.591642 0.744203 O\n0.372101 0.152561 0.744203 O\n0.627899 0.847440 0.255797 O\n",
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{
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"structure_string": "K2 Li14 Zr3 O14\n1.0\n6.518632 0.000000 -3.218633\n-1.825616 6.610184 -3.697383\n0.005120 0.008388 8.220713\nK Li Zr O\n2 14 3 14\ndirect\n0.764093 0.500000 0.000000 K\n0.235906 0.500000 -0.000000 K\n0.408002 0.976126 0.270507 Li\n0.862505 0.294381 0.270507 Li\n0.591997 0.705618 0.729493 Li\n0.770775 0.129173 0.541551 Li\n0.229224 0.870826 0.458449 Li\n0.137494 0.705618 0.729493 Li\n0.500000 0.154272 0.000000 Li\n0.499999 0.845728 -0.000000 Li\n0.137495 0.023874 0.729493 Li\n0.408002 0.294381 0.270507 Li\n0.591997 0.023874 0.729493 Li\n0.862504 0.976126 0.270507 Li\n0.770775 0.412378 0.541551 Li\n0.229224 0.587622 0.458449 Li\n0.000000 0.000000 0.000000 Zr\n0.727528 0.727528 0.455057 Zr\n0.272471 0.272471 0.544943 Zr\n0.371492 0.161866 0.742984 O\n0.032430 0.745655 0.491310 O\n0.541120 0.254344 0.508690 O\n0.967569 0.254344 0.508690 O\n0.458879 0.745655 0.491310 O\n0.711530 -0.000000 0.000000 O\n0.288470 -0.000000 0.000000 O\n0.872229 0.691022 0.744461 O\n0.127770 0.308978 0.255539 O\n0.127769 0.946562 0.255539 O\n0.628507 0.418881 0.257016 O\n0.872230 0.053438 0.744461 O\n0.371492 0.581118 0.742984 O\n0.628507 0.838134 0.257016 O\n",
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