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{
"id": "jvasp-40422",
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{
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"structure_string": "Co4 Cu2 S8\n1.0\n5.813697 0.000000 3.356540\n1.937899 5.481206 3.356540\n0.000000 0.000000 6.713079\nCo Cu S\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.875000 0.875001 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.737470 0.737470 0.737469 S\n0.262531 0.262531 0.712408 S\n0.262531 0.712408 0.262531 S\n0.712408 0.262531 0.262531 S\n0.737470 0.287592 0.737469 S\n0.287592 0.737470 0.737469 S\n0.262531 0.262531 0.262531 S\n0.737470 0.737470 0.287592 S\n",
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{
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"structure_string": "Cd2 Fe4 O8\n1.0\n5.180380 -0.000000 2.990894\n1.726793 4.884109 2.990894\n-0.000000 -0.000000 5.981787\nCd Fe O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.874999 Cd\n0.500000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 -0.000001 Fe\n0.500000 0.500000 0.500000 Fe\n0.728966 0.728967 0.728966 O\n0.271033 0.271034 0.686898 O\n0.271033 0.686898 0.271033 O\n0.686898 0.271034 0.271033 O\n0.728966 0.313102 0.728966 O\n0.313101 0.728967 0.728966 O\n0.271033 0.271034 0.271033 O\n0.728966 0.728967 0.313101 O\n",
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{
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"structure_string": "Na2 Ca2 V2 O8\n1.0\n5.528270 0.016860 -0.000000\n-2.348910 5.004464 -0.000000\n-0.000000 -0.000000 7.129771\nNa Ca V O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.819257 0.180743 0.250000 Ca\n0.180743 0.819256 0.750000 Ca\n0.144915 0.855084 0.250000 V\n0.855085 0.144915 0.750000 V\n0.258873 0.199824 0.250000 O\n0.252539 0.747461 0.053666 O\n0.800176 0.741126 0.250000 O\n0.747461 0.252539 0.553666 O\n0.199824 0.258873 0.750000 O\n0.252539 0.747461 0.446334 O\n0.747461 0.252539 0.946334 O\n0.741127 0.800175 0.750000 O\n",
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{
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"structure_string": "La2 H6 O6\n1.0\n6.540951 0.000117 0.000000\n-3.270374 5.664503 0.000000\n0.000000 0.000000 3.841752\nLa H O\n2 6 6\ndirect\n0.333334 0.666669 0.250000 La\n0.666667 0.333331 0.750000 La\n0.865720 0.727262 0.250000 H\n0.861544 0.134269 0.250000 H\n0.272747 0.138470 0.250000 H\n0.134281 0.272738 0.750000 H\n0.138456 0.865731 0.750000 H\n0.727253 0.861530 0.750000 H\n0.918221 0.611261 0.250000 O\n0.693049 0.081772 0.250000 O\n0.388743 0.306969 0.250000 O\n0.081779 0.388739 0.750000 O\n0.306952 0.918228 0.750000 O\n0.611257 0.693031 0.750000 O\n",
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{
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"structure_string": "Al4 Cr2 S8\n1.0\n6.130676 0.034988 3.593646\n2.076546 5.768395 3.593646\n-0.000000 -0.000000 7.187295\nAl Cr S\n4 2 8\ndirect\n0.991244 0.991242 0.008758 Al\n0.258758 0.258758 0.241242 Al\n0.625001 0.625000 0.125000 Al\n0.625001 0.625000 0.625000 Al\n0.125001 0.625000 0.625000 Cr\n0.625001 0.125000 0.625000 Cr\n0.385074 0.385073 0.379416 S\n0.385074 0.385073 0.850437 S\n0.382561 0.856355 0.380542 S\n0.856357 0.382560 0.380542 S\n0.393645 0.867439 0.869458 S\n0.867441 0.393644 0.869458 S\n0.864928 0.864926 0.399563 S\n0.864928 0.864926 0.870584 S\n",
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{
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"structure_string": "Li2 Cr3 Ni1 O8\n1.0\n5.785689 0.004027 0.002848\n2.896333 5.008541 0.002848\n2.896333 1.672199 4.721148\nLi Cr Ni O\n2 3 1 8\ndirect\n0.121207 0.121207 0.121207 Li\n0.498899 0.498899 0.498900 Li\n0.007483 0.498321 0.498321 Cr\n0.498320 0.007484 0.498321 Cr\n0.498320 0.498321 0.007484 Cr\n0.879516 0.879517 0.879518 Ni\n0.259484 0.259485 0.259485 O\n0.249611 0.249612 0.712977 O\n0.249611 0.712977 0.249612 O\n0.712976 0.249612 0.249612 O\n0.283922 0.749107 0.749108 O\n0.749106 0.283924 0.749108 O\n0.749106 0.749107 0.283924 O\n0.742424 0.742426 0.742426 O\n",
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"structure_string": "Tl1 V5 Se8\n1.0\n3.483277 -0.000025 -0.657727\n-0.399153 8.790727 -2.113966\n-0.032841 0.012746 9.379196\nTl V Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.147270 0.492042 0.294607 V\n0.791714 0.159719 0.583363 V\n0.208288 0.840282 0.416637 V\n0.500001 0.500000 -0.000000 V\n0.852732 0.507960 0.705393 V\n0.662944 0.997260 0.325942 Se\n0.260161 0.347426 0.520283 Se\n0.070998 0.678158 0.142014 Se\n0.739841 0.652576 0.479718 Se\n0.929004 0.321843 0.857986 Se\n0.586215 0.315758 0.172456 Se\n0.337058 0.002741 0.674058 Se\n0.413787 0.684244 0.827544 Se\n",
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"structure_string": "Li7 Ni1 O4 F2\n1.0\n5.399724 0.024358 -0.001948\n-1.953829 4.985487 0.036055\n-2.579698 -1.156188 4.746840\nLi Ni O F\n7 1 4 2\ndirect\n0.590252 0.127533 0.311272 Li\n0.751217 0.520618 0.701540 Li\n0.115275 0.197779 0.639276 Li\n0.313029 0.651512 0.984244 Li\n0.901104 0.764745 0.358651 Li\n0.169864 0.455568 0.297695 Li\n0.459137 0.933553 0.682952 Li\n0.013414 0.000283 0.002577 Ni\n0.856201 0.218227 0.763621 O\n0.874208 0.083574 0.227345 O\n0.124307 0.878308 0.767267 O\n0.207982 0.813494 0.254542 O\n0.543589 0.471912 0.289454 F\n0.414984 0.543870 0.711533 F\n",
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}