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"id": "jvasp-113649",
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{
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{
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{
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"created_at": "2022-09-04T14:38:41.429359Z",
"updated_at": "2022-09-04T14:38:41.429392Z",
"structure_string": "Al1 H8 C5 Cl1 O5\n1.0\n5.254432 -0.126352 0.507822\n1.429944 5.227233 0.911337\n-0.281040 -0.172319 7.178374\nAl H C Cl O\n1 8 5 1 5\ndirect\n0.179051 0.679716 0.395673 Al\n0.568277 0.210868 0.601001 H\n0.757903 0.915518 0.696508 H\n0.466526 0.885905 0.966474 H\n0.201514 0.108920 0.852321 H\n0.459203 0.446566 0.848193 H\n0.682051 0.237797 0.001625 H\n0.742661 0.954463 0.302948 H\n0.975797 0.109464 0.222570 H\n0.554057 0.028992 0.679238 C\n0.413671 0.063479 0.870677 C\n0.291073 0.376209 0.110822 C\n0.425581 0.901756 0.555088 C\n0.479541 0.280233 0.955866 C\n0.945423 0.433678 0.542956 Cl\n0.271493 0.760981 0.623369 O\n0.378703 0.506352 0.223618 O\n0.063219 0.348767 0.123360 O\n0.455462 0.920566 0.375616 O\n0.936125 0.942845 0.279771 O\n",
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{
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"created_at": "2022-09-04T14:36:53.377649Z",
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"structure_string": "Al1 In1 Ag2 S4\n1.0\n5.262837 -0.006490 -4.365164\n-1.165526 5.132158 -4.365164\n0.005188 0.006490 6.837549\nAl In Ag S\n1 1 2 4\ndirect\n0.250000 0.750000 0.500001 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500001 Ag\n0.500000 0.500000 0.000001 Ag\n0.134433 0.091270 0.491550 S\n0.599721 0.642883 0.508451 S\n0.357117 0.865568 0.956839 S\n0.908730 0.400280 0.043163 S\n",
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{
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"structure_string": "Al1 In1 Ag2 Se4\n1.0\n5.511212 -0.007450 -4.615505\n-1.206030 5.377639 -4.615505\n0.005972 0.007450 7.188623\nAl In Ag Se\n1 1 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000001 Ag\n0.601834 0.636706 0.503163 Se\n0.133543 0.098671 0.496838 Se\n0.901329 0.398166 0.034873 Se\n0.363294 0.866457 0.965128 Se\n",
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{
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"created_at": "2022-09-04T14:37:02.925364Z",
"updated_at": "2022-09-04T14:37:02.925383Z",
"structure_string": "Al1 In1 B1\n1.0\n0.000000 3.017458 3.017458\n3.017458 0.000000 3.017458\n3.017458 3.017458 -0.000000\nAl In B\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 B\n",
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{
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"structure_string": "Al1 In1 Cu1 O4\n1.0\n3.290679 0.034401 8.024322\n1.609339 2.870502 8.024322\n0.058027 0.034401 8.672655\nAl In Cu O\n1 1 1 4\ndirect\n0.584790 0.584788 0.584787 Al\n0.799717 0.799714 0.799714 In\n0.012489 0.012489 0.012489 Cu\n0.511727 0.511726 0.511725 O\n0.091557 0.091556 0.091556 O\n0.659486 0.659484 0.659483 O\n0.919904 0.919901 0.919901 O\n",
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"structure_string": "Al1 In1 Cu2 Se4\n1.0\n5.250501 0.013528 -4.668923\n-1.049472 5.144565 -4.668923\n-0.011018 -0.013528 7.026128\nAl In Cu Se\n1 1 2 4\ndirect\n0.750000 0.250000 0.500001 Al\n0.500000 0.500001 0.000001 In\n0.250000 0.750001 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.100633 0.103553 0.468681 Se\n0.634872 0.631953 0.531320 Se\n0.368048 0.899367 0.002921 Se\n0.896447 0.365129 0.997081 Se\n",
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{
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