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"structure_string": "V6 O8 F4\n1.0\n0.000000 4.627657 -0.004680\n2.982562 0.000000 0.000000\n0.000000 -0.014125 -13.884263\nV O F\n6 8 4\ndirect\n0.058260 0.000000 0.007620 V\n-0.000009 0.000000 0.333334 V\n0.941752 0.000000 0.659049 V\n0.558249 0.500000 0.159052 V\n0.441744 0.500000 0.507616 V\n0.500011 0.500000 0.833333 V\n0.191935 0.500000 0.399368 O\n0.235550 0.500000 0.067909 O\n0.308075 0.000000 0.899372 O\n0.264448 0.000000 0.567902 O\n0.691941 0.000000 0.767292 O\n0.764448 0.500000 0.598758 O\n0.808047 0.500000 0.267297 O\n0.735557 0.000000 0.098763 O\n0.317132 0.000000 0.231709 F\n0.817159 0.500000 0.934960 F\n0.682844 0.000000 0.434957 F\n0.182868 0.500000 0.731706 F\n",
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{
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{
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"updated_at": "2022-09-04T14:35:52.224452Z",
"structure_string": "Li1 V1 Te3 O12\n1.0\n4.966346 -0.001572 0.000982\n-0.004918 5.299546 -0.024328\n-0.006267 -0.499465 7.282438\nLi V Te O\n1 1 3 12\ndirect\n0.501089 0.933752 0.795818 Li\n0.002835 0.004755 0.019924 V\n0.505156 0.495972 0.998552 Te\n0.007049 0.003209 0.504397 Te\n0.498734 0.499096 0.492991 Te\n0.690061 0.188255 0.933897 O\n0.818969 0.322566 0.568647 O\n0.184961 0.307619 0.057511 O\n0.646261 0.509348 0.248536 O\n0.361931 0.515977 0.744354 O\n0.178609 0.681787 0.420243 O\n0.877852 0.005537 0.248507 O\n0.298641 0.814198 0.048825 O\n0.134292 0.004972 0.746601 O\n0.324185 0.181459 0.420124 O\n0.794485 0.714616 0.932170 O\n0.674886 0.824483 0.565103 O\n",
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"structure_string": "K2 Hg4\n1.0\n4.872646 -0.000000 2.106067\n2.114351 6.007607 1.797956\n0.034785 0.332533 6.609288\nK Hg\n2 4\ndirect\n0.039962 0.710037 0.710038 K\n0.960037 0.289963 0.289964 K\n0.663925 0.293543 0.878607 Hg\n0.336075 0.706457 0.121394 Hg\n0.663925 0.878607 0.293544 Hg\n0.336075 0.121393 0.706457 Hg\n",
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{
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"created_at": "2022-09-04T14:36:43.770065Z",
"updated_at": "2022-09-04T14:36:43.770081Z",
"structure_string": "Mg4 Si4 O12\n1.0\n4.771624 -0.435988 1.009782\n1.040501 6.184661 0.818788\n-0.650531 0.331725 6.282504\nMg Si O\n4 4 12\ndirect\n0.749999 0.887583 0.112416 Mg\n0.750000 0.299290 0.700708 Mg\n0.250000 0.112415 0.887583 Mg\n0.250000 0.700708 0.299291 Mg\n0.472322 0.671474 0.830319 Si\n0.527677 0.328525 0.169681 Si\n0.027678 0.169681 0.328525 Si\n0.972322 0.830318 0.671474 Si\n0.803184 0.600423 0.711309 O\n0.422166 0.384342 0.895442 O\n0.577834 0.615657 0.104558 O\n0.922165 0.895441 0.384343 O\n0.196815 0.399576 0.288690 O\n0.696815 0.288690 0.399576 O\n0.868554 0.200589 0.062167 O\n0.077835 0.104557 0.615657 O\n0.303185 0.711309 0.600424 O\n0.368554 0.062167 0.200589 O\n0.131446 0.799410 0.937833 O\n0.631445 0.937832 0.799410 O\n",
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{
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"structure_string": "Lu6 Ga2\n1.0\n3.268449 -5.661120 0.000000\n3.268449 5.661120 0.000000\n-0.000000 0.000000 5.177325\nLu Ga\n6 2\ndirect\n0.655337 0.827668 0.250000 Lu\n0.172332 0.827668 0.250000 Lu\n0.172332 0.344664 0.250000 Lu\n0.344664 0.172332 0.749999 Lu\n0.827668 0.172332 0.749999 Lu\n0.827668 0.655337 0.749999 Lu\n0.333333 0.666667 0.749999 Ga\n0.666667 0.333333 0.250000 Ga\n",
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{
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"structure_string": "Cu3 Ni1 H6 Cl2 O6\n1.0\n5.706781 -0.024785 1.995657\n1.408348 5.530328 1.995657\n-0.032030 -0.024785 6.045575\nCu Ni H Cl O\n3 1 6 2 6\ndirect\n0.500000 0.500001 0.000000 Cu\n0.500000 0.000001 0.500000 Cu\n0.000000 0.500001 0.500000 Cu\n0.500000 0.500001 0.500000 Ni\n0.228735 0.820027 0.228735 H\n0.820026 0.228736 0.228735 H\n0.771265 0.179975 0.771264 H\n0.771265 0.771266 0.179974 H\n0.179974 0.771266 0.771264 H\n0.228735 0.228736 0.820026 H\n0.821266 0.821268 0.821266 Cl\n0.178733 0.178734 0.178733 Cl\n0.727581 0.727583 0.360464 O\n0.272419 0.272420 0.639536 O\n0.272419 0.639537 0.272419 O\n0.360464 0.727583 0.727581 O\n0.727581 0.360465 0.727581 O\n0.639536 0.272420 0.272419 O\n",
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"structure_string": "Mg2 Ag4 O8\n1.0\n0.000000 5.883701 0.000000\n2.941850 -2.941850 5.533917\n5.883701 0.000000 0.000000\nMg Ag O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.750000 0.500000 0.750000 Mg\n0.875000 0.250000 0.375000 Ag\n0.375000 0.250000 0.375000 Ag\n0.375000 0.750000 0.375000 Ag\n0.375000 0.750000 0.875000 Ag\n0.109831 0.219662 0.157768 O\n0.640169 0.280339 0.127431 O\n0.622569 0.780339 0.109830 O\n0.157768 0.780339 0.109830 O\n0.640169 0.280339 0.592232 O\n0.109831 0.219662 0.622569 O\n0.592232 0.719662 0.640169 O\n0.127431 0.719662 0.640169 O\n",
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}