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{
"id": "jvasp-11361",
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{
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{
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"structure_string": "Nd8 C12\n1.0\n7.035394 0.000000 -2.487387\n-3.517697 6.092830 -2.487387\n-0.000000 -0.000000 7.462162\nNd C\n8 12\ndirect\n0.103979 0.103979 0.103979 Nd\n-0.000000 0.896021 0.499999 Nd\n0.500000 0.000000 0.896021 Nd\n-0.000000 0.396021 0.500000 Nd\n0.500000 0.000000 0.396021 Nd\n0.396021 0.500000 -0.000000 Nd\n0.603978 0.603979 0.603978 Nd\n0.896020 0.500000 -0.000001 Nd\n0.798278 0.048279 0.749999 C\n0.048279 0.750000 0.798278 C\n0.749999 0.798279 0.048278 C\n0.701720 0.451721 0.249999 C\n0.250000 0.701721 0.451720 C\n0.951720 0.201721 0.749999 C\n0.201721 0.750000 0.951720 C\n0.548278 0.298279 0.249999 C\n0.298279 0.250000 0.548278 C\n0.749999 0.951721 0.201720 C\n0.250000 0.548279 0.298278 C\n0.451721 0.250000 0.701720 C\n",
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{
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"structure_string": "Pr6 O9\n1.0\n3.745361 0.000000 0.000000\n-1.872680 7.173914 -1.259618\n0.000000 0.023594 9.124884\nPr O\n6 9\ndirect\n0.965693 0.931386 0.188984 Pr\n0.034307 0.068613 0.811015 Pr\n0.310087 0.620174 0.861922 Pr\n0.634713 0.269424 0.489494 Pr\n0.365287 0.730574 0.510505 Pr\n0.689912 0.379825 0.138077 Pr\n0.129799 0.259597 0.287259 O\n0.175408 0.350815 0.974023 O\n0.474637 0.949276 0.344606 O\n0.799276 0.598551 0.370996 O\n0.870200 0.740401 0.712741 O\n0.500000 0.000000 0.000000 O\n0.525362 0.050723 0.655393 O\n0.824591 0.649184 0.025976 O\n0.200724 0.401447 0.629003 O\n",
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{
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"updated_at": "2022-09-04T14:37:06.454276Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 -0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
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{
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"created_at": "2022-09-04T14:37:07.777721Z",
"updated_at": "2022-09-04T14:37:07.777740Z",
"structure_string": "K4 Se6\n1.0\n6.464735 -0.025388 -0.000000\n-1.921681 6.172568 0.000000\n0.000000 0.000000 7.566236\nK Se\n4 6\ndirect\n0.098762 0.901238 0.871558 K\n0.901239 0.098762 0.371557 K\n0.584993 0.415008 0.151260 K\n0.415008 0.584992 0.651261 K\n0.788933 0.211068 0.812090 Se\n0.211068 0.788932 0.312090 Se\n0.090068 0.405561 0.001446 Se\n0.909933 0.594439 0.501446 Se\n0.594440 0.909932 0.001446 Se\n0.405561 0.090068 0.501446 Se\n",
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{
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"created_at": "2022-09-04T14:37:49.519923Z",
"updated_at": "2022-09-04T14:37:49.519942Z",
"structure_string": "Pu6 O4\n1.0\n-6.152107 -0.000000 -0.000000\n3.076054 -5.327881 0.000000\n-3.076054 1.775961 5.535663\nPu O\n6 4\ndirect\n0.250001 0.082572 0.249999 Pu\n0.917429 0.417428 0.249999 Pu\n0.582574 0.750001 0.249999 Pu\n0.417427 0.250000 0.749999 Pu\n0.082573 0.582572 0.749999 Pu\n0.750001 0.917426 0.749999 Pu\n0.662862 0.337138 0.011414 O\n0.837137 0.162862 0.488584 O\n0.162862 0.837139 0.511415 O\n0.337138 0.662862 0.988585 O\n",
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{
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"updated_at": "2022-09-04T14:37:06.506639Z",
"structure_string": "Si12 Ru8\n1.0\n5.625344 0.000000 0.000000\n0.000000 5.625344 0.000000\n-0.000000 0.000000 8.986626\nSi Ru\n12 8\ndirect\n0.171220 0.828779 0.750000 Si\n0.353536 0.790509 0.089561 Si\n0.790509 0.646463 0.910439 Si\n0.646463 0.209490 0.089561 Si\n0.790509 0.353536 0.410439 Si\n0.209490 0.646463 0.410439 Si\n0.209490 0.353536 0.910439 Si\n0.353536 0.209490 0.589561 Si\n0.828779 0.171220 0.750000 Si\n0.171220 0.171220 0.250000 Si\n0.828779 0.828779 0.250000 Si\n0.646463 0.790509 0.589561 Si\n0.000000 0.500000 0.626564 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.750000 Ru\n0.500000 0.500000 0.250000 Ru\n0.500000 0.000000 0.873437 Ru\n0.000000 0.500000 0.126564 Ru\n0.500000 0.000000 0.373437 Ru\n",
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"structure_string": "Cr8 Te12\n1.0\n3.435563 -5.950571 -0.000000\n3.435563 5.950571 -0.000000\n0.000000 0.000000 12.287873\nCr Te\n8 12\ndirect\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.006554 Cr\n0.666667 0.333333 0.493446 Cr\n0.333333 0.666667 0.993446 Cr\n0.333333 0.666667 0.506554 Cr\n0.667343 0.669940 0.123621 Te\n0.002597 0.669940 0.376379 Te\n0.330059 0.332656 0.376379 Te\n0.667343 0.997402 0.376379 Te\n0.997402 0.667343 0.876379 Te\n0.669940 0.667343 0.623621 Te\n0.332656 0.330059 0.876379 Te\n0.997402 0.330059 0.623621 Te\n0.330059 0.997402 0.123621 Te\n0.332657 0.002597 0.623621 Te\n0.669940 0.002597 0.876379 Te\n0.002597 0.332657 0.123621 Te\n",
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}