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{
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{
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{
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"structure_string": "La8 S12\n1.0\n4.160674 0.000000 0.000000\n0.000000 7.616566 0.000000\n0.000000 0.000000 15.884064\nLa S\n8 12\ndirect\n0.250000 0.146626 0.794984 La\n0.750000 0.853374 0.205016 La\n0.250000 0.646626 0.705016 La\n0.750000 0.353374 0.294984 La\n0.250000 0.763976 0.456068 La\n0.750000 0.236024 0.543932 La\n0.250000 0.263976 0.043932 La\n0.750000 0.736024 0.956068 La\n0.250000 0.371227 0.432639 S\n0.750000 0.628773 0.567361 S\n0.250000 0.871227 0.067361 S\n0.750000 0.128773 0.932639 S\n0.250000 0.145229 0.219592 S\n0.750000 0.854771 0.780408 S\n0.250000 0.645229 0.280408 S\n0.750000 0.354771 0.719592 S\n0.750000 0.488127 0.109446 S\n0.250000 0.511873 0.890554 S\n0.750000 0.988127 0.390554 S\n0.250000 0.011873 0.609446 S\n",
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{
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{
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"structure_string": "Nd4 In2 Ge4\n1.0\n7.596327 0.000000 0.000000\n0.000000 7.596327 0.000000\n0.000000 0.000000 4.361679\nNd In Ge\n4 2 4\ndirect\n0.320553 0.820553 0.500000 Nd\n0.820553 0.679447 0.500000 Nd\n0.179447 0.320553 0.500000 Nd\n0.679447 0.179447 0.500000 Nd\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.380881 0.119119 0.000000 Ge\n0.880881 0.380881 0.000000 Ge\n0.119119 0.619119 0.000000 Ge\n0.619119 0.880881 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:40:15.116007Z",
"structure_string": "Te8 As8 Se16 F48\n1.0\n9.131208 0.000000 0.000000\n0.000000 13.644472 0.000000\n0.000000 0.000000 16.161641\nTe As Se F\n8 8 16 48\ndirect\n0.504557 0.781883 0.110046 Te\n0.995443 0.218117 0.610046 Te\n0.004557 0.718117 0.889954 Te\n0.185111 0.822330 0.774085 Te\n0.495443 0.281883 0.389954 Te\n0.814889 0.322330 0.725915 Te\n0.314889 0.177670 0.274085 Te\n0.685111 0.677670 0.225915 Te\n0.722547 0.728191 0.708951 As\n0.277453 0.228191 0.791049 As\n0.735117 0.538677 0.995148 As\n0.264883 0.038677 0.504852 As\n0.235117 0.961323 0.004852 As\n0.777453 0.271809 0.208951 As\n0.222547 0.771809 0.291049 As\n0.764883 0.461323 0.495148 As\n0.864838 0.916408 0.182734 Se\n0.717209 0.860330 0.296993 Se\n0.138694 0.546730 0.874771 Se\n0.135162 0.416408 0.317266 Se\n0.217209 0.639670 0.703007 Se\n0.782791 0.139670 0.796993 Se\n0.861306 0.046730 0.625229 Se\n0.361306 0.453270 0.374771 Se\n0.178199 0.244305 0.103828 Se\n0.635162 0.083592 0.682734 Se\n0.638694 0.953270 0.125229 Se\n0.282791 0.360330 0.203007 Se\n0.321801 0.755695 0.603828 Se\n0.678199 0.255695 0.896172 Se\n0.364838 0.583592 0.817266 Se\n0.821801 0.744305 0.396172 Se\n0.823311 0.838254 0.701700 F\n0.409457 0.232278 0.493338 F\n0.434658 0.288060 0.835112 F\n0.165459 0.737279 0.190427 F\n0.565342 0.788060 0.664888 F\n0.143409 0.935149 0.856752 F\n0.120177 0.881515 0.281766 F\n0.856591 0.435149 0.643248 F\n0.269378 0.971522 0.114475 F\n0.879823 0.381515 0.218234 F\n0.334541 0.262721 0.690427 F\n0.380709 0.832794 0.243796 F\n0.379823 0.118485 0.781766 F\n0.408743 0.951671 0.508515 F\n0.356591 0.064851 0.356752 F\n0.908743 0.548329 0.491485 F\n0.676689 0.161746 0.201700 F\n0.230622 0.028478 0.614475 F\n0.143584 0.750528 0.556492 F\n0.643409 0.564851 0.143248 F\n0.590543 0.732278 0.006662 F\n0.909457 0.267722 0.506662 F\n0.591257 0.451671 0.991485 F\n0.378316 0.042902 0.979164 F\n0.213385 0.192334 0.888088 F\n0.090543 0.767722 0.993338 F\n0.620177 0.618485 0.718234 F\n0.880709 0.667206 0.756204 F\n0.286615 0.807666 0.388088 F\n0.619291 0.332794 0.256204 F\n0.713385 0.307666 0.111912 F\n0.121684 0.957098 0.479164 F\n0.643584 0.749472 0.443508 F\n0.065342 0.711940 0.335112 F\n0.665459 0.762721 0.809573 F\n0.119291 0.167206 0.743796 F\n0.176689 0.338254 0.798300 F\n0.323311 0.661746 0.298300 F\n0.091257 0.048329 0.008515 F\n0.934658 0.211940 0.164888 F\n0.356416 0.249472 0.056492 F\n0.730622 0.471522 0.385525 F\n0.834541 0.237279 0.309573 F\n0.786615 0.692334 0.611912 F\n0.856416 0.250528 0.943508 F\n0.878316 0.457098 0.020836 F\n0.769378 0.528478 0.885525 F\n0.621684 0.542902 0.520836 F\n",
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{
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"structure_string": "Ca7 Tl3 N2\n1.0\n2.483765 -12.443335 0.000000\n2.483765 12.443335 0.000000\n0.000000 0.000000 4.886354\nCa Tl N\n7 3 2\ndirect\n0.600224 0.399776 0.000000 Ca\n0.196495 0.803505 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.399776 0.600224 0.000000 Ca\n0.900961 0.099039 0.500000 Ca\n0.099039 0.900961 0.500000 Ca\n0.803505 0.196495 0.000000 Ca\n0.500000 0.500000 0.500000 Tl\n0.293415 0.706585 0.500000 Tl\n0.706585 0.293415 0.500000 Tl\n0.102848 0.897152 0.000000 N\n0.897152 0.102848 0.000000 N\n",
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{
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{
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{
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"created_at": "2022-09-04T14:46:15.090225Z",
"structure_string": "Ba1 Mg14 Sb1\n1.0\n6.584071 0.000000 0.000000\n-3.292035 5.701972 0.000000\n-0.000000 -0.000000 10.727525\nBa Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ba\n0.178874 0.839436 0.125000 Mg\n0.158903 0.829451 0.625000 Mg\n0.660564 0.321126 0.125000 Mg\n0.670549 0.341097 0.625000 Mg\n0.660564 0.839436 0.125000 Mg\n0.670549 0.829451 0.625000 Mg\n0.338844 0.161156 0.388266 Mg\n0.338844 0.161156 0.861734 Mg\n0.338844 0.677689 0.388266 Mg\n0.338844 0.677689 0.861734 Mg\n0.822311 0.161156 0.388266 Mg\n0.822311 0.161156 0.861734 Mg\n0.833333 0.666667 0.367684 Mg\n0.833333 0.666667 0.882316 Mg\n0.166667 0.333333 0.625000 Sb\n",
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}