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{
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{
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"structure_string": "Ce8 S8 Cl8\n1.0\n6.837497 0.000000 0.000000\n0.000000 6.979807 0.000000\n-0.000000 -0.000000 13.432134\nCe S Cl\n8 8 8\ndirect\n0.258164 0.961781 0.901376 Ce\n0.741836 0.038219 0.098624 Ce\n0.241836 0.461781 0.098624 Ce\n0.741836 0.538219 0.401376 Ce\n0.758164 0.538219 0.901376 Ce\n0.258164 0.461781 0.598624 Ce\n0.758164 0.038219 0.598624 Ce\n0.241836 0.961781 0.401376 Ce\n0.501421 0.741880 0.027069 S\n0.498579 0.258120 0.972931 S\n-0.001421 0.241880 0.972931 S\n0.498579 0.758120 0.527069 S\n0.001421 0.758120 0.027069 S\n0.501421 0.241880 0.472931 S\n0.001421 0.258120 0.472931 S\n-0.001421 0.741880 0.527069 S\n0.136782 0.620363 0.788791 Cl\n0.863219 0.379638 0.211209 Cl\n0.363219 0.120363 0.211209 Cl\n0.863219 0.879638 0.288791 Cl\n0.636782 0.879638 0.788791 Cl\n0.136782 0.120363 0.711208 Cl\n0.636782 0.379638 0.711208 Cl\n0.363219 0.620363 0.288791 Cl\n",
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{
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"structure_string": "H24 C24\n1.0\n6.629559 -0.000000 0.000000\n-0.000000 7.272486 0.000000\n0.000000 0.000000 9.200948\nH C\n24 24\ndirect\n0.014546 0.892926 0.256641 H\n0.773134 0.752299 0.582083 H\n0.726867 0.252298 0.582083 H\n0.273133 0.747702 0.417918 H\n0.273133 0.752299 0.917918 H\n0.726867 0.247702 0.082082 H\n0.773134 0.747702 0.082082 H\n0.226867 0.252298 0.917918 H\n0.243200 0.358324 0.671959 H\n0.756800 0.641677 0.328041 H\n0.743200 0.141677 0.328041 H\n0.256800 0.858324 0.671959 H\n0.226867 0.247702 0.417918 H\n0.743200 0.358324 0.828041 H\n0.756800 0.858324 0.828041 H\n0.243200 0.141677 0.171959 H\n0.014546 0.607075 0.756641 H\n0.985455 0.392926 0.243359 H\n0.514546 0.892926 0.243359 H\n0.485455 0.107074 0.756641 H\n0.485455 0.392926 0.256641 H\n0.514546 0.607075 0.743359 H\n0.985455 0.107074 0.743359 H\n0.256800 0.641677 0.171959 H\n0.635914 0.079981 0.403105 C\n0.864086 0.579981 0.403105 C\n0.135914 0.420020 0.596895 C\n0.127825 0.141209 0.953037 C\n0.627826 0.141209 0.546963 C\n0.627826 0.358791 0.046963 C\n0.372175 0.641210 0.953037 C\n0.372175 0.858791 0.453037 C\n0.364086 0.920020 0.596895 C\n0.872175 0.858791 0.046963 C\n0.364086 0.579981 0.096895 C\n0.991967 0.439422 0.355912 C\n0.864086 0.920020 0.903105 C\n0.135914 0.079981 0.096895 C\n0.008033 0.560579 0.644088 C\n0.508033 0.939422 0.355912 C\n0.491967 0.060579 0.644088 C\n0.491967 0.439422 0.144088 C\n0.508033 0.560579 0.855912 C\n0.991967 0.060579 0.855912 C\n0.008033 0.939422 0.144088 C\n0.872175 0.641210 0.546963 C\n0.635914 0.420020 0.903105 C\n0.127825 0.358791 0.453037 C\n",
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{
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"structure_string": "Nb8 Ni16 O36\n1.0\n5.091788 0.000000 0.000000\n-0.000000 8.733878 0.000000\n0.000000 0.000000 14.425320\nNb Ni O\n8 16 36\ndirect\n0.005016 0.031701 0.355608 Nb\n0.505016 0.468299 0.355608 Nb\n0.494984 0.468299 0.855608 Nb\n0.994984 0.031701 0.855608 Nb\n0.005016 0.968299 0.144392 Nb\n0.505016 0.531701 0.144392 Nb\n0.994984 0.968299 0.644392 Nb\n0.494984 0.531701 0.644392 Nb\n0.496109 0.164377 0.501394 Ni\n-0.004188 0.338028 0.685660 Ni\n0.495812 0.161972 0.685660 Ni\n0.496109 0.835623 0.998606 Ni\n0.003892 0.664377 0.498606 Ni\n0.504188 0.161972 0.185660 Ni\n0.504188 0.838029 0.314340 Ni\n0.503892 0.835623 0.498606 Ni\n0.996109 0.335623 0.501394 Ni\n-0.004188 0.661972 0.814340 Ni\n0.003892 0.335623 0.001394 Ni\n0.495812 0.838029 0.814340 Ni\n0.996109 0.664377 0.998606 Ni\n0.004188 0.338028 0.185660 Ni\n0.503892 0.164377 0.001394 Ni\n0.004188 0.661972 0.314340 Ni\n0.710674 0.000000 0.250000 O\n0.654530 0.652023 0.251001 O\n0.654530 0.347977 0.248999 O\n0.845470 0.152023 0.748999 O\n0.659723 0.995550 0.916182 O\n0.210674 0.500000 0.250000 O\n0.340278 0.004450 0.083818 O\n0.325079 0.326076 0.428799 O\n0.840278 0.504450 0.416182 O\n0.789327 0.500000 0.750000 O\n0.825079 0.173924 0.428799 O\n0.159722 0.504450 0.916182 O\n0.345470 0.652023 0.751001 O\n0.674921 0.326076 0.928799 O\n0.174921 0.173924 0.928799 O\n0.333986 0.336350 0.095212 O\n0.340278 0.995550 0.416182 O\n0.325079 0.673924 0.071201 O\n0.345470 0.347977 0.748999 O\n0.845470 0.847977 0.751001 O\n0.666014 0.336350 0.595212 O\n0.833986 0.836350 0.404788 O\n0.166014 0.163650 0.595212 O\n0.289327 0.000000 0.750000 O\n0.154530 0.152023 0.248999 O\n0.174921 0.826076 0.571201 O\n0.659723 0.004450 0.583818 O\n0.674921 0.673924 0.571201 O\n0.825079 0.826076 0.071201 O\n0.166014 0.836350 0.904788 O\n0.333986 0.663651 0.404788 O\n0.840278 0.495550 0.083818 O\n0.154530 0.847977 0.251001 O\n0.159722 0.495550 0.583818 O\n0.833986 0.163650 0.095212 O\n0.666014 0.663651 0.904788 O\n",
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{
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"created_at": "2022-09-04T14:35:45.627759Z",
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"structure_string": "Sr4 Ca4 I16\n1.0\n7.052338 -0.000000 0.000000\n-0.000000 7.881294 0.000000\n0.000000 0.000000 18.548973\nSr Ca I\n4 4 16\ndirect\n0.000000 0.750000 0.066920 Sr\n0.000000 0.250000 0.933080 Sr\n0.500000 0.250000 0.433080 Sr\n0.500000 0.750000 0.566920 Sr\n0.000000 0.750000 0.314156 Ca\n0.000000 0.250000 0.685844 Ca\n0.500000 0.750000 0.814156 Ca\n0.500000 0.250000 0.185844 Ca\n0.257219 0.086992 0.805094 I\n0.257219 0.586992 0.194906 I\n0.242781 0.086992 0.305094 I\n0.242781 0.586992 0.694906 I\n0.237416 0.088291 0.561356 I\n0.237416 0.588290 0.438644 I\n0.762584 0.411709 0.561356 I\n0.742782 0.413007 0.805094 I\n0.757219 0.913007 0.694906 I\n0.757219 0.413007 0.305094 I\n0.262584 0.088291 0.061356 I\n0.742782 0.913007 0.194906 I\n0.737417 0.911709 0.938644 I\n0.737417 0.411709 0.061356 I\n0.762584 0.911709 0.438644 I\n0.262584 0.588290 0.938644 I\n",
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{
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"structure_string": "Tb4 B12 O24\n1.0\n6.097002 -0.000216 0.000000\n-0.005394 7.802130 0.000000\n0.000000 0.000000 8.324985\nTb B O\n4 12 24\ndirect\n0.491537 0.249954 0.499090 Tb\n0.508463 0.750046 0.500911 Tb\n0.008463 0.750046 0.999090 Tb\n0.991537 0.249953 0.000911 Tb\n0.118987 0.506105 0.315232 B\n0.118772 0.994847 0.684817 B\n0.988983 0.249985 0.499474 B\n0.381228 0.005152 0.184817 B\n0.381014 0.493895 0.815233 B\n0.488983 0.249985 0.000526 B\n0.618987 0.506105 0.184768 B\n0.618772 0.994847 0.815184 B\n0.511017 0.750014 0.999475 B\n0.011017 0.750015 0.500526 B\n0.881013 0.493895 0.684768 B\n0.881228 0.005152 0.315183 B\n0.062894 0.007110 0.839972 O\n0.436660 0.505225 0.659963 O\n0.563340 0.494775 0.340038 O\n0.839597 0.333100 0.614558 O\n0.660403 0.666899 0.114557 O\n0.063340 0.494775 0.159963 O\n0.142379 0.364832 0.416448 O\n0.857621 0.635167 0.583552 O\n0.936660 0.505224 0.840038 O\n0.437107 0.992890 0.339972 O\n0.357798 0.864901 0.082390 O\n0.160172 0.833296 0.616038 O\n0.339597 0.333101 0.885443 O\n0.339829 0.166704 0.116038 O\n0.839828 0.166704 0.383962 O\n0.160404 0.666899 0.385443 O\n0.660172 0.833296 0.883963 O\n0.642379 0.364832 0.083552 O\n0.642202 0.135099 0.917611 O\n0.357622 0.635168 0.916449 O\n0.857798 0.864900 0.417610 O\n0.937107 0.992890 0.160029 O\n0.142202 0.135099 0.582390 O\n0.562894 0.007109 0.660029 O\n",
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"structure_string": "Li4 V4 F16\n1.0\n0.000000 4.513166 -0.000192\n11.490174 0.000000 0.000000\n0.000000 -0.000235 -4.849209\nLi V F\n4 4 16\ndirect\n0.000001 0.947110 0.500000 Li\n0.000000 0.052889 0.000000 Li\n0.500001 0.447110 0.500000 Li\n0.500000 0.552892 -0.000000 Li\n0.000001 0.678972 0.500000 V\n0.000000 0.321028 0.000000 V\n0.500001 0.178970 0.500000 V\n0.500000 0.821030 -0.000000 V\n0.751254 0.066655 0.332160 F\n0.751255 0.933345 0.832159 F\n0.748743 0.433345 0.832162 F\n0.748744 0.566655 0.332160 F\n0.735980 0.692840 0.826583 F\n0.735980 0.307159 0.326584 F\n0.264022 0.307159 0.673416 F\n0.248748 0.066655 0.667840 F\n0.251258 0.566655 0.667840 F\n0.251259 0.433345 0.167838 F\n0.764026 0.807163 0.326587 F\n0.248747 0.933345 0.167840 F\n0.235977 0.192836 0.173413 F\n0.235976 0.807163 0.673413 F\n0.264022 0.692840 0.173417 F\n0.764025 0.192836 0.826587 F\n",
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{
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