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{
"id": "jvasp-24306",
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"structure_string": "Ba10 Ta4 Cl4 O18\n1.0\n2.998485 -5.193529 -0.000000\n2.998485 5.193529 0.000000\n0.000000 0.000000 25.086312\nBa Ta Cl O\n10 4 4 18\ndirect\n0.333332 0.666666 0.581033 Ba\n0.333332 0.666666 0.918967 Ba\n0.333332 0.666666 0.172046 Ba\n0.666666 0.333332 0.418967 Ba\n0.666666 0.333332 0.081033 Ba\n0.666666 0.333332 0.672046 Ba\n0.666666 0.333332 0.827954 Ba\n0.333332 0.666666 0.750000 Ba\n0.666666 0.333332 0.250000 Ba\n0.333332 0.666666 0.327954 Ba\n0.000000 0.000000 0.189681 Ta\n0.000000 0.000000 0.689681 Ta\n0.000000 0.000000 0.810319 Ta\n0.000000 0.000000 0.310319 Ta\n0.666666 0.333332 0.952757 Cl\n0.666666 0.333332 0.547243 Cl\n0.333332 0.666666 0.452757 Cl\n0.333332 0.666666 0.047243 Cl\n0.673717 0.836858 0.844744 O\n0.163140 0.836858 0.655256 O\n0.836858 0.163140 0.155256 O\n0.148510 0.851488 0.250000 O\n0.326281 0.163140 0.155256 O\n0.297022 0.148511 0.750000 O\n0.851488 0.148510 0.750000 O\n0.836858 0.673717 0.155256 O\n0.326281 0.163140 0.344744 O\n0.163140 0.326281 0.844744 O\n0.163140 0.326281 0.655256 O\n0.851487 0.702976 0.750000 O\n0.836858 0.163140 0.344744 O\n0.702976 0.851487 0.250000 O\n0.163140 0.836858 0.844744 O\n0.148511 0.297022 0.250000 O\n0.836858 0.673717 0.344744 O\n0.673717 0.836858 0.655256 O\n",
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{
"id": "jvasp-26951",
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"updated_at": "2022-09-04T14:38:19.435539Z",
"structure_string": "Er8 Ti12 Si16\n1.0\n7.039058 0.000000 0.000000\n0.000000 7.039058 -0.000000\n0.000000 -0.000000 12.913882\nEr Ti Si\n8 12 16\ndirect\n0.340589 0.001415 0.466959 Er\n0.498586 0.840589 0.716959 Er\n0.501415 0.159411 0.216959 Er\n0.840589 0.498586 0.283041 Er\n0.159411 0.501415 0.783040 Er\n0.659412 0.998586 0.966959 Er\n0.001415 0.340589 0.533041 Er\n0.998586 0.659412 0.033041 Er\n0.992893 0.847428 0.624311 Ti\n0.007107 0.152573 0.124311 Ti\n0.347428 0.507107 0.374311 Ti\n0.652573 0.492893 0.874311 Ti\n0.507107 0.347428 0.625689 Ti\n0.847428 0.992893 0.375689 Ti\n0.152573 0.007107 0.875689 Ti\n0.672194 0.672194 0.500000 Ti\n0.827806 0.172194 0.750000 Ti\n0.172194 0.827806 0.250000 Ti\n0.327806 0.327806 0.000000 Ti\n0.492893 0.652573 0.125689 Ti\n0.708479 0.045131 0.564847 Si\n0.208478 0.454869 0.185153 Si\n0.791522 0.545131 0.685152 Si\n0.454869 0.208478 0.814847 Si\n0.545131 0.791522 0.314847 Si\n0.291522 0.954869 0.064847 Si\n0.869024 0.797200 0.817429 Si\n0.297200 0.630977 0.567429 Si\n0.797200 0.869024 0.182571 Si\n0.702800 0.369024 0.067429 Si\n0.630977 0.297200 0.432570 Si\n0.369024 0.702800 0.932570 Si\n0.202800 0.130976 0.682570 Si\n0.954869 0.291522 0.935152 Si\n0.130976 0.202800 0.317429 Si\n0.045131 0.708479 0.435153 Si\n",
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{
"id": "jvasp-20968",
"created_at": "2022-09-04T14:38:19.281328Z",
"updated_at": "2022-09-04T14:38:19.281354Z",
"structure_string": "Sr4 N8 O24\n1.0\n7.776440 0.000000 0.000000\n0.000000 7.776440 0.000000\n0.000000 0.000000 7.776440\nSr N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.843541 0.156459 0.656459 N\n0.156459 0.656459 0.843541 N\n0.656459 0.656459 0.656459 N\n0.656459 0.843541 0.156459 N\n0.156459 0.843541 0.343541 N\n0.343541 0.156459 0.843541 N\n0.343541 0.343541 0.343541 N\n0.843541 0.343541 0.156459 N\n0.781573 0.023664 0.727778 O\n0.281573 0.023664 0.772222 O\n0.023664 0.772222 0.281573 O\n0.781573 0.476336 0.227778 O\n0.718427 0.523664 0.727778 O\n0.523664 0.727778 0.718427 O\n0.727778 0.718427 0.523664 O\n0.227778 0.718427 0.976336 O\n0.727778 0.781573 0.023664 O\n0.772222 0.218427 0.523664 O\n0.523664 0.772222 0.218427 O\n0.476336 0.272222 0.281573 O\n0.718427 0.976336 0.227778 O\n0.976336 0.227778 0.718427 O\n0.218427 0.523664 0.772222 O\n0.281573 0.476336 0.272222 O\n0.976336 0.272222 0.218427 O\n0.272222 0.281573 0.476336 O\n0.272222 0.218427 0.976336 O\n0.227778 0.781573 0.476336 O\n0.218427 0.976336 0.272222 O\n0.772222 0.281573 0.023664 O\n0.023664 0.727778 0.781573 O\n0.476336 0.227778 0.781573 O\n",
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{
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"created_at": "2022-09-04T14:38:18.721254Z",
"updated_at": "2022-09-04T14:38:18.721264Z",
"structure_string": "K2 Sm2 P8 O24\n1.0\n7.174526 0.016914 -1.394145\n-3.435952 6.298281 -1.394145\n0.003951 0.006675 10.582167\nK Sm P O\n2 2 8 24\ndirect\n0.681024 0.318976 0.750001 K\n0.318976 0.681024 0.250001 K\n0.380647 0.619354 0.750001 Sm\n0.619354 0.380646 0.250000 Sm\n0.804659 0.763100 0.064384 P\n0.763101 0.804659 0.564384 P\n0.195341 0.236900 0.935617 P\n0.866741 0.214486 0.501549 P\n0.133260 0.785514 0.498452 P\n0.214486 0.866740 0.001549 P\n0.236899 0.195341 0.435617 P\n0.785514 0.133259 -0.001548 P\n0.324767 0.804260 0.594252 O\n0.416857 0.007547 0.114822 O\n0.992453 0.583143 0.385179 O\n0.583143 0.992453 0.885179 O\n0.007548 0.416857 0.614822 O\n0.195741 0.675234 0.905750 O\n0.141512 -0.008266 0.912547 O\n0.339635 0.363991 0.076835 O\n0.008267 0.858488 0.587454 O\n0.858488 0.008266 0.087454 O\n-0.008267 0.141512 0.412547 O\n0.965234 0.219009 0.923981 O\n0.780991 0.034766 0.576021 O\n0.034767 0.780991 0.076021 O\n0.675234 0.195740 0.405749 O\n0.219009 0.965234 0.423981 O\n0.702627 0.745702 0.683074 O\n0.745703 0.702626 0.183073 O\n0.297373 0.254298 0.316928 O\n0.363992 0.339635 0.576835 O\n0.660366 0.636009 0.923166 O\n0.636009 0.660365 0.423166 O\n0.254298 0.297374 0.816928 O\n0.804260 0.324766 0.094252 O\n",
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{
"id": "jvasp-29982",
"created_at": "2022-09-04T14:38:05.377025Z",
"updated_at": "2022-09-04T14:38:05.377042Z",
"structure_string": "Re12 Se12 Cl12\n1.0\n9.031575 0.044655 -0.000000\n-1.806067 8.849263 -0.000000\n-0.000000 -0.000000 11.299794\nRe Se Cl\n12 12 12\ndirect\n0.130284 0.869715 0.000000 Re\n0.863124 0.136875 0.000000 Re\n0.929777 0.936056 0.150474 Re\n0.848797 0.855849 0.930694 Re\n0.651202 0.644149 0.430694 Re\n0.570222 0.563943 0.650474 Re\n0.636875 0.363124 0.500000 Re\n0.355850 0.348797 0.569305 Re\n0.369715 0.630284 0.500000 Re\n0.144150 0.151202 0.069305 Re\n0.063943 0.070222 0.849526 Re\n0.436056 0.429777 0.349526 Re\n0.551001 0.294258 0.711906 Se\n0.948998 0.205741 0.211906 Se\n0.794258 0.051001 0.788093 Se\n0.839931 0.576646 0.579825 Se\n0.705741 0.448998 0.288093 Se\n0.660067 0.923353 0.079825 Se\n0.423353 0.160068 0.420174 Se\n0.453578 0.703664 0.288341 Se\n0.296335 0.546421 0.711659 Se\n0.076646 0.339932 0.920174 Se\n0.203664 0.953578 0.211659 Se\n0.046421 0.796335 0.788341 Se\n0.856088 0.846678 0.355434 Cl\n0.692221 0.307778 0.000000 Cl\n0.643911 0.653321 0.855434 Cl\n0.573906 0.830206 0.576815 Cl\n0.330206 0.073906 0.923184 Cl\n0.299092 0.700907 0.000000 Cl\n0.807778 0.192221 0.500000 Cl\n0.153321 0.143911 0.644565 Cl\n0.169793 0.426093 0.423185 Cl\n0.200907 0.799092 0.500000 Cl\n0.346678 0.356088 0.144566 Cl\n0.926092 0.669793 0.076815 Cl\n",
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{
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"created_at": "2022-09-04T14:38:07.578166Z",
"updated_at": "2022-09-04T14:38:07.578191Z",
"structure_string": "Rb4 Ga12 S20\n1.0\n7.185208 0.027608 0.000000\n-2.152187 9.884328 0.000000\n0.000000 0.000000 12.743839\nRb Ga S\n4 12 20\ndirect\n0.161608 0.408120 0.608301 Rb\n0.838392 0.091880 0.108301 Rb\n0.838392 0.591880 0.391699 Rb\n0.161608 0.908120 0.891699 Rb\n0.714633 0.376228 0.833218 Ga\n0.285367 0.623773 0.166783 Ga\n0.557575 0.701559 0.899228 Ga\n0.796765 0.600364 0.084046 Ga\n0.557576 0.201559 0.600772 Ga\n0.714633 0.876228 0.666783 Ga\n0.442425 0.298442 0.100772 Ga\n0.442424 0.798442 0.399228 Ga\n0.796765 0.100364 0.415954 Ga\n0.203235 0.899636 0.584046 Ga\n0.203235 0.399636 0.915954 Ga\n0.285367 0.123773 0.333218 Ga\n0.058066 0.247248 0.358678 S\n0.345163 0.585353 0.338939 S\n0.654837 0.914647 0.838939 S\n0.058066 0.747248 0.141322 S\n0.941934 0.252752 0.858678 S\n0.435988 0.262728 0.916854 S\n0.564012 0.737272 0.083146 S\n0.719453 0.403817 0.170771 S\n0.941934 0.752752 0.641322 S\n0.185779 0.406677 0.099980 S\n0.814221 0.093323 0.599980 S\n0.435988 0.762728 0.583146 S\n0.654837 0.414647 0.661061 S\n0.719453 0.903818 0.329229 S\n0.185779 0.906677 0.400020 S\n0.280547 0.096183 0.670771 S\n0.564012 0.237272 0.416854 S\n0.280547 0.596183 0.829229 S\n0.814221 0.593323 0.900020 S\n0.345163 0.085353 0.161061 S\n",
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{
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"structure_string": "Na8 Ge8 Se20\n1.0\n6.212734 0.000000 0.000000\n0.000000 11.277605 0.000000\n0.000000 0.000000 13.865721\nNa Ge Se\n8 8 20\ndirect\n0.997696 0.495859 0.060784 Na\n0.002303 0.995859 0.939216 Na\n0.502303 0.495859 0.560784 Na\n0.497697 0.995859 0.439216 Na\n0.997530 0.247088 0.461831 Na\n0.002469 0.747088 0.538169 Na\n0.502469 0.247088 0.961831 Na\n0.497530 0.747088 0.038169 Na\n0.545217 0.701136 0.347179 Ge\n0.454783 0.201137 0.652821 Ge\n0.954782 0.701136 0.847179 Ge\n0.045217 0.201137 0.152821 Ge\n0.962157 0.392989 0.704946 Ge\n0.462157 0.892989 0.795054 Ge\n0.537842 0.392989 0.204946 Ge\n0.037842 0.892989 0.295054 Ge\n0.092022 0.857244 0.741164 Se\n0.499919 0.983507 0.944432 Se\n0.500080 0.483507 0.055568 Se\n0.001226 0.246749 0.990364 Se\n0.998774 0.746749 0.009636 Se\n0.498774 0.246749 0.490364 Se\n0.501225 0.746749 0.509636 Se\n0.907977 0.357244 0.258836 Se\n0.592022 0.357244 0.758836 Se\n0.612116 0.004628 0.661739 Se\n0.411633 0.187997 0.211630 Se\n0.588367 0.687997 0.788370 Se\n0.088367 0.187997 0.711630 Se\n0.911633 0.687997 0.288370 Se\n0.887883 0.004628 0.161739 Se\n0.112116 0.504628 0.838261 Se\n-0.000080 0.483507 0.555567 Se\n0.387883 0.504628 0.338261 Se\n0.407977 0.857244 0.241164 Se\n0.000080 0.983507 0.444432 Se\n",
"nsites": 36,
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{
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"created_at": "2022-09-04T14:38:15.211725Z",
"updated_at": "2022-09-04T14:38:15.211744Z",
"structure_string": "Re4 Te12 Br20\n1.0\n8.620811 0.000000 0.000000\n0.000000 10.896695 -3.032593\n0.000000 -0.001740 12.404740\nRe Te Br\n4 12 20\ndirect\n0.860433 0.779768 0.209091 Re\n0.083663 0.634146 0.278653 Re\n0.583662 0.365853 0.721347 Re\n0.360434 0.220232 0.790909 Re\n0.956146 0.564013 0.077210 Te\n0.766004 0.391166 0.547672 Te\n0.308498 0.062742 0.922213 Te\n0.468926 0.162067 0.576641 Te\n0.160121 0.811909 0.183236 Te\n0.660121 0.188091 0.816764 Te\n0.968926 0.837933 0.423359 Te\n0.266004 0.608834 0.452328 Te\n0.456146 0.435987 0.922790 Te\n0.277747 0.361671 0.652101 Te\n0.808498 0.937258 0.077787 Te\n0.777747 0.638328 0.347899 Te\n0.448376 0.159913 0.111276 Br\n0.241104 0.601000 0.896614 Br\n0.740610 0.988721 0.646416 Br\n0.741104 0.399000 0.103386 Br\n0.175541 0.030803 0.698357 Br\n0.366885 0.550422 0.218974 Br\n0.491451 0.878410 0.853971 Br\n0.111312 0.274402 0.920192 Br\n0.240610 0.011278 0.353585 Br\n0.569678 0.587872 0.684554 Br\n0.675541 0.969197 0.301643 Br\n0.447103 0.797914 0.509622 Br\n0.086589 0.665867 0.628784 Br\n0.586589 0.334132 0.371216 Br\n0.947103 0.202085 0.490378 Br\n0.611312 0.725597 0.079808 Br\n0.866885 0.449578 0.781026 Br\n0.991451 0.121590 0.146029 Br\n0.948376 0.840087 0.888724 Br\n0.069678 0.412128 0.315446 Br\n",
"nsites": 36,
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"elements": [
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],
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{
"id": "jvasp-20453",
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