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{
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"structure_string": "Li2 Ga2 Pd2 F12\n1.0\n2.556874 -4.428636 0.000000\n2.556874 4.428636 -0.000000\n-0.000000 -0.000000 9.235972\nLi Ga Pd F\n2 2 2 12\ndirect\n0.666666 0.333332 0.750000 Li\n0.333332 0.666666 0.250000 Li\n0.333332 0.666666 0.750000 Ga\n0.666666 0.333332 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.011721 0.360987 0.864618 F\n0.360987 0.011721 0.364618 F\n0.349264 0.988277 0.864618 F\n0.349265 0.360987 0.635382 F\n0.639011 0.988277 0.635382 F\n0.650734 0.011721 0.135382 F\n0.360987 0.349265 0.135382 F\n0.988277 0.349264 0.364618 F\n0.988277 0.639011 0.135382 F\n0.011721 0.650734 0.635382 F\n0.639011 0.650733 0.864618 F\n0.650733 0.639011 0.364618 F\n",
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{
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{
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"structure_string": "Ag2 Bi1 Sb1 Te4\n1.0\n5.648529 0.013516 -5.028764\n-1.127922 5.534785 -5.028764\n-0.011013 -0.013516 7.562686\nAg Bi Sb Te\n2 1 1 4\ndirect\n0.500000 0.500001 0.000001 Ag\n0.250001 0.750000 0.500001 Ag\n0.000000 0.000000 0.000000 Bi\n0.750001 0.250000 0.500001 Sb\n0.002484 0.502483 0.500001 Te\n0.743191 0.743192 0.000002 Te\n0.497518 0.997518 0.500002 Te\n0.256810 0.256810 0.000001 Te\n",
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{
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"created_at": "2022-09-04T14:36:49.241159Z",
"updated_at": "2022-09-04T14:36:49.241183Z",
"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.830007 0.034648\n5.620423 0.000000 0.000000\n0.000000 -4.719458 -6.265924\nLi Cr Si O\n4 2 2 8\ndirect\n0.505928 0.815234 0.001693 Li\n0.250125 0.346590 0.744779 Li\n0.505927 0.184765 0.501693 Li\n0.250126 0.653409 0.244779 Li\n0.010391 0.152653 -0.011103 Cr\n0.010390 0.847347 0.488896 Cr\n0.739082 0.666155 0.746533 Si\n0.739082 0.333844 0.246533 Si\n0.064956 0.801813 0.966832 O\n0.847496 0.389441 0.743225 O\n0.399749 0.663396 0.749125 O\n0.619271 0.821851 0.528912 O\n0.064956 0.198187 0.466832 O\n0.847496 0.610559 0.243226 O\n0.399749 0.336603 0.249126 O\n0.619272 0.178148 0.028913 O\n",
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{
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"created_at": "2022-09-04T14:36:49.299623Z",
"updated_at": "2022-09-04T14:36:49.299646Z",
"structure_string": "Zr1 P2 H2 O6\n1.0\n5.461459 -0.000009 -0.000029\n-2.730737 4.729764 0.000084\n-0.000018 0.000066 5.390100\nZr P H O\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666669 0.333347 0.695685 P\n0.333330 0.666652 0.304314 P\n0.666664 0.333353 0.435592 H\n0.333336 0.666647 0.564407 H\n0.359966 0.141533 0.779696 O\n0.781572 0.640053 0.779682 O\n0.858479 0.218448 0.779678 O\n0.640033 0.858467 0.220303 O\n0.218427 0.359947 0.220317 O\n0.141521 0.781552 0.220321 O\n",
"nsites": 11,
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{
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"created_at": "2022-09-04T14:36:49.356900Z",
"updated_at": "2022-09-04T14:36:49.356927Z",
"structure_string": "K2 Rb1 Ir1 F6\n1.0\n5.606458 -0.000000 3.236890\n1.868819 5.285819 3.236890\n-0.000000 -0.000000 6.473780\nK Rb Ir F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ir\n0.778643 0.221358 0.221357 F\n0.221358 0.221358 0.778642 F\n0.221358 0.778643 0.778642 F\n0.221358 0.778643 0.221357 F\n0.778643 0.221358 0.778642 F\n0.778643 0.778643 0.221357 F\n",
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{
"id": "jvasp-9790",
"created_at": "2022-09-04T14:36:49.402138Z",
"updated_at": "2022-09-04T14:36:49.402161Z",
"structure_string": "Na4 Mg2 Si2 O8\n1.0\n0.000000 5.293648 0.000975\n5.535386 0.000000 0.000000\n0.000000 -5.272587 -7.017876\nNa Mg Si O\n4 2 2 8\ndirect\n0.737581 0.329696 0.249670 Na\n0.485782 0.183288 0.494481 Na\n0.737581 0.670305 0.749671 Na\n0.485782 0.816712 0.994482 Na\n0.001101 0.184900 0.000206 Mg\n0.001101 0.815101 0.500206 Mg\n0.252751 0.313919 0.747666 Si\n0.252751 0.686082 0.247666 Si\n0.303965 0.789947 0.441191 O\n0.303965 0.210054 0.941191 O\n0.980007 0.843764 0.055852 O\n0.980007 0.156237 0.555852 O\n0.590452 0.288581 0.776676 O\n0.147840 0.602459 0.717808 O\n0.147840 0.397542 0.217807 O\n0.590452 0.711419 0.276676 O\n",
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{
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"created_at": "2022-09-04T14:36:49.467554Z",
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"structure_string": "Cd1 H20 C12 O4\n1.0\n4.173469 0.308211 0.141541\n0.521387 4.233391 -0.152805\n-0.068267 -0.811822 16.522911\nCd H C O\n1 20 12 4\ndirect\n0.054082 0.084873 0.147651 Cd\n0.863883 0.276801 0.441685 H\n0.717193 0.799518 0.377107 H\n0.248086 0.889875 0.981393 H\n0.441618 0.767188 0.803970 H\n0.037232 0.855955 0.844012 H\n0.218578 0.766025 0.660802 H\n0.818444 0.847753 0.703380 H\n-0.013373 0.772980 0.518922 H\n0.591942 0.854975 0.564423 H\n0.665532 0.760518 0.950514 H\n0.345113 0.887448 0.433896 H\n0.547503 0.264835 0.878217 H\n0.139765 0.357484 0.917248 H\n0.339802 0.256995 0.730967 H\n0.938205 0.338058 0.772883 H\n0.113974 0.258260 0.586530 H\n0.715565 0.336496 0.630244 H\n0.212138 0.365482 0.359024 H\n0.190607 0.710434 0.307424 H\n0.475846 0.351397 0.490741 H\n0.501889 0.496915 0.042518 C\n0.442526 0.677681 0.967548 C\n0.342898 0.464865 0.896493 C\n0.240216 0.655495 0.824056 C\n0.135561 0.454088 0.752265 C\n0.021351 0.650062 0.681467 C\n0.527959 0.688502 0.403563 C\n0.790806 0.657007 0.540277 C\n0.667090 0.471223 0.468415 C\n0.360189 0.525431 0.335485 C\n0.576374 0.346228 0.265106 C\n0.911192 0.454194 0.609407 C\n0.296639 0.575741 0.104099 O\n0.824769 0.455613 0.244564 O\n0.512252 0.093439 0.225993 O\n0.741788 0.262351 0.039829 O\n",
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"structure_string": "Sn1 H8 C5 O6\n1.0\n4.790779 -0.034172 -0.264289\n0.679278 5.451084 -0.726560\n0.016354 0.276469 7.142534\nSn H C O\n1 8 5 6\ndirect\n0.968867 0.600476 0.644604 Sn\n0.387413 0.159310 0.363610 H\n0.330194 0.910915 0.204722 H\n0.691310 -0.005415 0.997035 H\n0.841062 0.189007 0.175464 H\n0.432607 0.495209 0.171525 H\n0.231085 0.300873 0.023321 H\n0.293410 0.910992 0.702696 H\n0.989539 0.155594 0.598191 H\n0.497548 0.016735 0.267659 C\n0.642892 0.128515 0.117357 C\n0.543004 0.445948 0.884131 C\n0.683752 0.855457 0.390498 C\n0.443933 0.349852 0.055394 C\n0.586829 0.814377 0.550525 O\n0.104268 0.915076 0.752194 O\n0.938467 0.280590 0.506748 O\n0.396347 0.440530 0.730636 O\n0.787627 0.523507 0.895727 O\n0.928533 0.753935 0.351831 O\n",
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{
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"updated_at": "2022-09-04T14:36:49.552060Z",
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{
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"created_at": "2022-09-04T14:36:50.539005Z",
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"structure_string": "Rb2 Dy1 Cu1 Cl6\n1.0\n6.292473 -0.000000 3.632961\n2.097491 5.932601 3.632961\n-0.000000 -0.000000 7.265922\nRb Dy Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cu\n0.745245 0.254755 0.254755 Cl\n0.254755 0.254755 0.745245 Cl\n0.254755 0.745245 0.745245 Cl\n0.254755 0.745245 0.254755 Cl\n0.745245 0.254755 0.745245 Cl\n0.745244 0.745245 0.254755 Cl\n",
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}