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{
"id": "jvasp-11082",
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"structure_string": "Li4 Nb4 Ni4 O16\n1.0\n6.003903 0.000000 0.000000\n0.000000 6.003903 -0.000000\n0.000000 -0.000000 8.537751\nLi Nb Ni O\n4 4 4 16\ndirect\n0.000000 0.240021 0.000000 Li\n0.000000 0.759978 0.500000 Li\n0.240021 0.000000 0.250000 Li\n0.759978 0.000000 0.750000 Li\n0.253076 0.253076 0.625000 Nb\n0.253076 0.746924 0.875000 Nb\n0.746924 0.253076 0.375000 Nb\n0.746924 0.746924 0.125000 Nb\n0.755234 0.500000 0.750000 Ni\n0.500000 0.755234 0.500000 Ni\n0.500000 0.244765 0.000000 Ni\n0.244765 0.500000 0.250000 Ni\n0.743090 0.993042 0.497399 O\n0.743090 0.006957 0.002601 O\n0.742593 0.492667 0.990656 O\n0.742593 0.507333 0.509344 O\n0.507333 0.742593 0.740656 O\n0.507333 0.257407 0.759344 O\n0.492667 0.742593 0.259344 O\n0.006957 0.743090 0.247399 O\n0.257407 0.507333 0.490656 O\n0.257407 0.492667 0.009344 O\n0.256910 0.993042 0.502601 O\n0.256910 0.006957 0.997399 O\n0.993042 0.256910 0.747399 O\n0.006957 0.256910 0.252601 O\n0.492667 0.257407 0.240656 O\n0.993042 0.743090 0.752601 O\n",
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{
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"updated_at": "2022-09-04T14:38:32.780501Z",
"structure_string": "Sc12 As8\n1.0\n3.829247 -0.000000 0.000000\n-0.000000 10.287869 0.000000\n0.000000 0.000000 10.435149\nSc As\n12 8\ndirect\n0.250000 0.133167 0.049215 Sc\n0.750001 0.295893 0.275958 Sc\n0.250000 0.704107 0.724042 Sc\n0.250000 0.795893 0.224042 Sc\n0.750001 0.563429 0.128535 Sc\n0.250000 0.436571 0.871465 Sc\n0.750001 0.204107 0.775958 Sc\n0.250000 0.063429 0.371465 Sc\n0.750001 0.633167 0.450785 Sc\n0.250000 0.366833 0.549215 Sc\n0.750001 0.866833 0.950785 Sc\n0.750001 0.936572 0.628535 Sc\n0.250000 0.678806 0.987099 As\n0.250000 0.494138 0.313959 As\n0.750001 0.505862 0.686041 As\n0.250000 0.005862 0.813959 As\n0.750001 0.994138 0.186041 As\n0.250000 0.821195 0.487098 As\n0.750001 0.178806 0.512902 As\n0.750001 0.321195 0.012902 As\n",
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"structure_string": "Bi2 Pb2 Se5\n1.0\n4.269297 -0.000000 0.000000\n-2.134649 3.697320 0.000000\n-0.000000 -0.000000 16.879315\nBi Pb Se\n2 2 5\ndirect\n0.000000 0.000000 0.668125 Bi\n0.000000 0.000000 0.331875 Bi\n0.333333 0.666667 0.109549 Pb\n0.666667 0.333333 0.890450 Pb\n0.666667 0.333333 0.578066 Se\n0.333333 0.666667 0.781943 Se\n0.666667 0.333333 0.218056 Se\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.421934 Se\n",
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"structure_string": "Te2 Pt2\n1.0\n3.874971 0.021033 6.103115\n1.789603 3.437028 6.103115\n0.034454 0.021033 7.229261\nTe Pt\n2 2\ndirect\n0.902221 0.902222 0.902223 Te\n0.097777 0.097777 0.097778 Te\n0.630352 0.630352 0.630353 Pt\n0.369647 0.369647 0.369648 Pt\n",
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{
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"updated_at": "2022-09-04T14:38:32.775615Z",
"structure_string": "Li4 Ti2 Co6 O16\n1.0\n5.689920 0.000025 0.000029\n-2.844938 4.927577 -0.000058\n0.000064 -0.000111 9.206595\nLi Ti Co O\n4 2 6 16\ndirect\n0.333346 0.666695 0.893110 Li\n-0.000075 -0.000076 0.997995 Li\n0.000074 -0.000004 0.497995 Li\n0.666653 0.333348 0.393110 Li\n0.333381 0.666695 0.495460 Ti\n0.666619 0.333315 0.995460 Ti\n0.830168 0.169929 0.715017 Co\n0.830160 0.660268 0.715023 Co\n0.339819 0.169931 0.715017 Co\n0.169832 0.339760 0.215017 Co\n0.169840 0.830107 0.215023 Co\n0.660181 0.830113 0.215017 Co\n0.328967 0.164490 0.099886 O\n0.835435 0.670950 0.099909 O\n0.666721 0.333370 0.609499 O\n0.518425 0.036809 0.835254 O\n0.518425 0.481664 0.835266 O\n0.671033 0.835523 0.599885 O\n0.481574 0.518384 0.335254 O\n0.036753 0.518400 0.335271 O\n0.164561 0.329056 0.599894 O\n0.000048 0.000049 0.807315 O\n-0.000048 0.000001 0.307315 O\n0.333279 0.666648 0.109499 O\n0.963246 0.481648 0.835271 O\n0.164565 0.835514 0.599909 O\n0.481575 0.963239 0.335266 O\n0.835439 0.164496 0.099894 O\n",
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"structure_string": "Ni1 Pt1 F6\n1.0\n4.401756 0.033543 3.111304\n1.628887 4.089413 3.111304\n0.049063 0.033543 5.390106\nNi Pt F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500001 0.499999 0.500000 Pt\n0.908707 0.251495 0.589939 F\n0.251497 0.589938 0.908707 F\n0.410061 0.091293 0.748504 F\n0.748505 0.410060 0.091293 F\n0.091294 0.748503 0.410061 F\n0.589940 0.908705 0.251495 F\n",
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}