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{
"id": "jvasp-114123",
"created_at": "2022-09-04T14:38:26.028023Z",
"updated_at": "2022-09-04T14:38:26.028053Z",
"structure_string": "Ag1 Cl2\n1.0\n6.447077 0.000000 0.000000\n0.000000 3.574771 0.000000\n0.000000 0.000000 3.627367\nAg Cl\n1 2\ndirect\n0.000000 0.450654 0.000000 Ag\n0.261218 -0.049327 0.000000 Cl\n0.738782 -0.049327 0.000000 Cl\n",
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{
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"structure_string": "Li3 Mn1 O4\n1.0\n2.380715 -0.004547 4.303599\n-0.072649 2.822097 9.543026\n-0.067653 -0.019680 9.537328\nLi Mn O\n3 1 4\ndirect\n0.998150 0.004494 -0.004529 Li\n0.998148 0.504464 0.995510 Li\n0.498151 0.004530 0.495439 Li\n0.498130 0.504445 0.495533 Mn\n0.271289 0.004527 0.222268 O\n0.178402 0.504511 0.268716 O\n0.724967 0.004499 0.768652 O\n0.817877 0.504519 0.722193 O\n",
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{
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"structure_string": "Li3 Co3 B3 O9\n1.0\n8.191816 0.000000 -0.000000\n-4.095909 7.094321 -0.000000\n-0.000000 0.000000 3.009662\nLi Co B O\n3 3 3 9\ndirect\n0.043837 0.696392 0.000000 Li\n0.303608 0.347445 0.000000 Li\n0.652555 0.956162 0.000000 Li\n0.963133 0.319256 0.500000 Co\n0.680744 0.643876 0.500000 Co\n0.356124 0.036868 0.500000 Co\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.500000 B\n0.446366 0.861151 0.500000 O\n0.771607 0.242590 0.000000 O\n0.805917 0.916299 0.500000 O\n0.757410 0.529017 0.000000 O\n0.110381 0.194083 0.500000 O\n0.083701 0.889618 0.500000 O\n0.138849 0.585215 0.500000 O\n0.470984 0.228393 0.000000 O\n0.414785 0.553634 0.500000 O\n",
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{
"id": "jvasp-104513",
"created_at": "2022-09-04T14:37:09.623366Z",
"updated_at": "2022-09-04T14:37:09.623385Z",
"structure_string": "Na2 Cu1 Sb1 F6\n1.0\n5.293158 -0.000000 3.056006\n1.764386 4.990437 3.056006\n-0.000000 -0.000000 6.112012\nNa Cu Sb F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.746485 0.253515 0.253515 F\n0.253515 0.253515 0.746485 F\n0.253515 0.746485 0.746485 F\n0.253515 0.746485 0.253515 F\n0.746485 0.253515 0.746485 F\n0.746486 0.746485 0.253515 F\n",
"nsites": 10,
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{
"id": "jvasp-112218",
"created_at": "2022-09-04T14:38:46.780862Z",
"updated_at": "2022-09-04T14:38:46.780884Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.241135 -0.005424 0.848472\n1.440230 5.592356 1.656063\n0.161042 -0.154706 7.276919\nSn H C F\n2 8 4 4\ndirect\n0.446696 0.595574 0.479221 Sn\n0.159683 0.109162 0.984497 Sn\n0.093299 0.488726 0.136073 H\n0.494025 0.270813 0.279576 H\n0.827812 0.197193 0.405581 H\n0.766555 0.539379 0.007678 H\n0.626390 0.922713 0.585272 H\n0.356498 0.690448 0.894269 H\n0.968643 0.837787 0.824626 H\n0.233733 0.055533 0.513913 H\n0.689637 0.336447 0.302949 C\n0.903964 0.412703 0.117186 C\n0.378081 0.902088 0.602978 C\n0.219379 0.852883 0.809177 C\n0.151753 0.834716 0.242201 F\n-0.015412 0.519457 0.551947 F\n0.462724 0.336566 0.746982 F\n0.622037 0.030227 0.062348 F\n",
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"formula_full": "Sn2 H8 C4 F4",
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{
"id": "jvasp-24984",
"created_at": "2022-09-04T14:38:18.996548Z",
"updated_at": "2022-09-04T14:38:18.996577Z",
"structure_string": "Na4 Cd2 S4 O16\n1.0\n6.167947 -0.001437 2.076695\n0.649808 6.133621 2.076695\n-0.023994 -0.021581 8.649573\nNa Cd S O\n4 2 4 16\ndirect\n0.307457 0.419377 0.436326 Na\n0.692545 0.580622 0.563674 Na\n0.580623 0.692544 0.063675 Na\n0.419378 0.307456 0.936326 Na\n0.933731 0.066269 0.250000 Cd\n0.066270 0.933731 0.750000 Cd\n0.977054 0.403805 0.811015 S\n0.596195 0.022947 0.688986 S\n0.403806 0.977053 0.311015 S\n0.022947 0.596195 0.188986 S\n0.049780 0.228477 0.946739 O\n0.995915 0.687139 0.334403 O\n0.122764 0.580016 0.748566 O\n0.312861 0.004086 0.165598 O\n0.877238 0.419983 0.251435 O\n0.004087 0.312860 0.665597 O\n0.512389 0.254607 0.632965 O\n0.687141 0.995913 0.834403 O\n0.254607 0.512388 0.132965 O\n0.950221 0.771523 0.053261 O\n0.419985 0.877237 0.751435 O\n0.745394 0.487612 0.867036 O\n0.771524 0.950220 0.553261 O\n0.580017 0.122763 0.248566 O\n0.487613 0.745393 0.367036 O\n0.228477 0.049780 0.446740 O\n",
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"formula_full": "Na4 Cd2 S4 O16",
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{
"id": "jvasp-12751",
"created_at": "2022-09-04T14:38:16.461314Z",
"updated_at": "2022-09-04T14:38:16.461334Z",
"structure_string": "Se4 O4 F8\n1.0\n5.447295 0.000000 0.000000\n0.000000 6.087027 0.000000\n0.000000 0.000000 7.498739\nSe O F\n4 4 8\ndirect\n0.460180 0.751813 0.810852 Se\n0.539819 0.251813 0.189148 Se\n0.039820 0.251813 0.810852 Se\n0.960179 0.751813 0.189148 Se\n0.267354 0.383801 0.906298 O\n0.232645 0.883801 0.906298 O\n0.767354 0.383801 0.093702 O\n0.732645 0.883801 0.093702 O\n0.128472 0.983034 0.275263 F\n0.628471 0.983034 0.724737 F\n0.871527 0.483034 0.724737 F\n0.371528 0.483034 0.275263 F\n0.833491 0.699354 0.402015 F\n0.166508 0.199354 0.597986 F\n0.666508 0.199354 0.402015 F\n0.333491 0.699354 0.597986 F\n",
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"formula_full": "Se4 O4 F8",
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{
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"created_at": "2022-09-04T14:36:02.478387Z",
"updated_at": "2022-09-04T14:36:02.478411Z",
"structure_string": "K2 Mg1 Cu1 F6\n1.0\n4.030059 0.000000 0.000000\n0.000000 4.030059 0.000000\n0.000000 0.000000 8.061030\nK Mg Cu F\n2 1 1 6\ndirect\n0.500000 0.500000 0.247296 K\n0.500000 0.500000 0.752704 K\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.252096 F\n0.000000 0.000000 0.747904 F\n0.000000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:38:54.127680Z",
"updated_at": "2022-09-04T14:38:54.127724Z",
"structure_string": "Mn2 P2 O8 F2\n1.0\n4.800121 0.015249 -1.466286\n-1.116801 4.638549 -1.703681\n0.016163 -0.029373 7.095636\nMn P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.439761 0.126479 0.764684 P\n0.560239 0.873522 0.235316 P\n0.231539 0.791445 0.120401 O\n0.706278 0.847229 0.068618 O\n0.658026 0.181854 0.412286 O\n0.646174 0.652723 0.333522 O\n0.293721 0.152772 0.931383 O\n0.341973 0.818147 0.587714 O\n0.353825 0.347277 0.666479 O\n0.768460 0.208556 0.879599 O\n0.142425 0.317154 0.270070 F\n0.857575 0.682847 0.729930 F\n",
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{
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"structure_string": "Rb1 F3\n1.0\n4.053458 0.000000 0.000000\n0.000000 4.053458 0.000000\n-0.000000 0.000000 4.053458\nRb F\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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{
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"structure_string": "Mg1 Be1 Se1\n1.0\n-1.645611 1.645611 4.845613\n1.645611 -1.645611 4.845613\n1.645611 1.645611 -4.845613\nMg Be Se\n1 1 1\ndirect\n0.341097 0.341097 0.000000 Mg\n0.039778 0.039778 0.000000 Be\n0.619124 0.619124 0.000000 Se\n",
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{
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}