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{
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{
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{
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"structure_string": "Ca1 Al2 Sb2\n1.0\n2.164747 1.249817 8.859333\n-2.164747 1.249817 8.859333\n0.000000 -2.499635 8.859333\nCa Al Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.451957 0.451957 0.451953 Al\n0.548046 0.548046 0.548041 Al\n0.256981 0.256981 0.256979 Sb\n0.743022 0.743022 0.743016 Sb\n",
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{
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"updated_at": "2022-09-04T14:38:33.588945Z",
"structure_string": "Ca10 Al4 Sb12\n1.0\n4.478103 0.000000 0.000000\n0.000000 12.044961 -0.000000\n0.000000 0.000000 14.090585\nCa Al Sb\n10 4 12\ndirect\n0.500000 0.091801 0.746965 Ca\n0.500000 0.408199 0.246965 Ca\n0.500000 0.326343 0.513101 Ca\n0.500000 0.908199 0.253035 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.173657 0.013101 Ca\n0.500000 0.826343 0.986899 Ca\n0.500000 0.673657 0.486899 Ca\n0.500000 0.591801 0.753035 Ca\n0.000000 0.331711 0.712430 Al\n0.000000 0.668289 0.287570 Al\n0.000000 0.168289 0.212430 Al\n0.000000 0.831711 0.787570 Al\n0.000000 0.026644 0.899224 Sb\n0.000000 0.844259 0.406685 Sb\n0.000000 0.155741 0.593315 Sb\n0.000000 0.655741 0.906685 Sb\n0.000000 0.344259 0.093315 Sb\n0.500000 0.338099 0.823223 Sb\n0.500000 0.661901 0.176776 Sb\n0.500000 0.838099 0.676776 Sb\n0.500000 0.161901 0.323223 Sb\n0.000000 0.526644 0.600776 Sb\n0.000000 0.473356 0.399224 Sb\n0.000000 0.973356 0.100776 Sb\n",
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{
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"structure_string": "Ca1 Al1 S1\n1.0\n5.044150 -0.000000 0.000000\n-2.522075 4.368362 -0.000000\n0.000000 -0.000000 3.744068\nCa Al S\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Ca\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.000000 S\n",
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{
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{
"id": "jvasp-118371",
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"structure_string": "Ca1 Al1 S2\n1.0\n3.740423 0.000000 0.000000\n-1.870211 3.239301 0.000000\n0.000000 -0.000000 6.353247\nCa Al S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.786333 S\n0.666667 0.333334 0.213668 S\n",
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{
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{
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{
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{
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}