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{
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{
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{
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"structure_string": "Cd11 I22\n1.0\n2.172415 -3.762734 0.000000\n2.172415 3.762734 0.000000\n0.000000 0.000000 80.945152\nCd I\n11 22\ndirect\n0.000000 0.000000 0.204536 Cd\n0.000000 0.000000 0.022731 Cd\n0.666667 0.333333 0.113656 Cd\n0.333333 0.666667 0.840921 Cd\n0.000000 0.000000 0.386386 Cd\n0.666667 0.333333 0.295458 Cd\n0.666667 0.333333 0.477278 Cd\n0.666667 0.333333 0.749995 Cd\n0.666667 0.333333 0.931810 Cd\n0.000000 0.000000 0.568170 Cd\n0.666667 0.333333 0.659067 Cd\n0.333333 0.666667 0.092266 I\n0.666667 0.333333 0.589532 I\n0.000000 0.000000 0.862295 I\n0.000000 0.000000 0.680446 I\n0.333333 0.666667 0.455891 I\n0.666667 0.333333 0.407766 I\n0.333333 0.666667 0.183162 I\n0.333333 0.666667 0.637699 I\n0.000000 0.000000 0.771366 I\n0.000000 0.000000 0.953181 I\n0.333333 0.666667 0.728606 I\n0.333333 0.666667 0.546804 I\n0.666667 0.333333 0.044110 I\n0.666667 0.333333 0.819541 I\n0.666667 0.333333 0.225908 I\n0.333333 0.666667 0.910402 I\n0.333333 0.666667 0.274091 I\n0.333333 0.666667 0.001389 I\n0.333333 0.666667 0.365015 I\n0.000000 0.000000 0.498645 I\n0.000000 0.000000 0.316846 I\n0.000000 0.000000 0.135030 I\n",
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{
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"structure_string": "Lu2 Cu6 S6\n1.0\n6.559421 -3.321220 0.000000\n6.559421 3.321220 0.000000\n4.877794 0.000000 5.501240\nLu Cu S\n2 6 6\ndirect\n0.833452 0.833452 0.833452 Lu\n0.166548 0.166548 0.166548 Lu\n0.287846 0.960139 0.623755 Cu\n0.623755 0.287846 0.960139 Cu\n0.960139 0.623755 0.287846 Cu\n0.039861 0.376245 0.712154 Cu\n0.376245 0.712154 0.039861 Cu\n0.712154 0.039861 0.376245 Cu\n0.083446 0.752848 0.419500 S\n0.752848 0.419500 0.083446 S\n0.419500 0.083446 0.752848 S\n0.580500 0.916554 0.247151 S\n0.247152 0.580500 0.916554 S\n0.916554 0.247152 0.580500 S\n",
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{
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"structure_string": "Nb2 C12 N18\n1.0\n7.001116 0.405667 0.000000\n9.868408 6.805576 0.000000\n0.000000 0.000000 12.355788\nNb C N\n2 12 18\ndirect\n0.000000 0.274269 0.250000 Nb\n0.000000 0.725731 0.750000 Nb\n0.686226 0.754472 0.250000 C\n0.686226 0.559301 0.750000 C\n0.313774 0.245528 0.750000 C\n0.313774 0.440699 0.250000 C\n0.688598 0.303731 0.902445 C\n0.688598 0.007671 0.097555 C\n0.688598 0.303731 0.597555 C\n0.688598 0.007671 0.402445 C\n0.311402 0.696269 0.097555 C\n0.311402 0.992329 0.902445 C\n0.311402 0.696269 0.402445 C\n0.311402 0.992329 0.597555 C\n0.000000 0.547230 0.250000 N\n0.000000 0.452770 0.750000 N\n0.388447 0.942655 0.250000 N\n0.388447 0.668898 0.750000 N\n0.611553 0.057345 0.750000 N\n0.611553 0.331102 0.250000 N\n0.000000 0.121425 0.943722 N\n0.000000 0.878575 0.056278 N\n0.000000 0.121425 0.556278 N\n0.000000 0.878575 0.443722 N\n0.392473 0.473203 0.869077 N\n0.392473 0.134324 0.130923 N\n0.392473 0.473203 0.630923 N\n0.392473 0.134324 0.369077 N\n0.607527 0.526797 0.130923 N\n0.607527 0.865676 0.869077 N\n0.607527 0.526797 0.369077 N\n0.607527 0.865676 0.630923 N\n",
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{
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"created_at": "2022-09-04T14:42:03.131544Z",
"structure_string": "Ca2 Mg2 B12 H44 O44\n1.0\n3.729548 6.054343 0.000000\n-3.729548 6.054343 0.000000\n0.000000 0.126886 19.464074\nCa Mg B H O\n2 2 12 44 44\ndirect\n0.214074 0.785926 0.750000 Ca\n0.785926 0.214074 0.250000 Ca\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.859623 0.942975 0.650073 B\n0.057025 0.140377 0.849927 B\n0.140377 0.057025 0.349927 B\n0.942975 0.859623 0.150073 B\n0.946900 0.246304 0.642163 B\n0.753696 0.053100 0.857837 B\n0.053100 0.753696 0.357837 B\n0.246304 0.946900 0.142163 B\n0.579281 0.309593 0.665389 B\n0.690407 0.420719 0.834611 B\n0.420719 0.690407 0.334611 B\n0.309593 0.579281 0.165389 B\n0.783841 0.824018 0.563218 H\n0.175982 0.216159 0.936782 H\n0.216159 0.175982 0.436782 H\n0.824018 0.783841 0.063218 H\n0.944860 0.628525 0.683792 H\n0.371475 0.055140 0.816208 H\n0.055140 0.371475 0.316208 H\n0.628525 0.944860 0.183792 H\n0.270909 0.389834 0.674960 H\n0.610166 0.729091 0.825040 H\n0.729091 0.610166 0.325040 H\n0.389834 0.270909 0.174960 H\n0.115845 0.260789 0.722933 H\n0.739211 0.884155 0.777067 H\n0.884155 0.739211 0.277067 H\n0.260789 0.115845 0.222933 H\n0.885977 0.384255 0.544263 H\n0.615745 0.114023 0.955737 H\n0.114023 0.615745 0.455737 H\n0.384255 0.885977 0.044263 H\n0.344293 0.826851 0.587350 H\n0.173149 0.655707 0.912650 H\n0.655707 0.173149 0.412650 H\n0.826851 0.344293 0.087350 H\n0.440721 0.749073 0.513080 H\n0.250927 0.559279 0.986920 H\n0.559279 0.250927 0.486920 H\n0.749073 0.440721 0.013080 H\n0.520140 0.919514 0.671483 H\n0.080486 0.479860 0.828517 H\n0.479860 0.080486 0.328517 H\n0.919514 0.520140 0.171483 H\n0.588016 0.668470 0.665820 H\n0.331530 0.411984 0.834180 H\n0.411984 0.331530 0.334180 H\n0.668470 0.588016 0.165820 H\n0.283011 0.488874 0.554085 H\n0.511126 0.716989 0.945915 H\n0.716989 0.511126 0.445915 H\n0.488874 0.283011 0.054085 H\n0.228365 0.301005 0.544557 H\n0.698995 0.771635 0.955443 H\n0.771635 0.698995 0.455443 H\n0.301005 0.228365 0.044557 H\n0.002825 0.032305 0.663329 O\n0.967695 0.997175 0.836671 O\n0.997175 0.967695 0.336671 O\n0.032305 0.002825 0.163329 O\n0.891349 0.864426 0.577506 O\n0.135574 0.108651 0.922494 O\n0.108651 0.135574 0.422494 O\n0.864426 0.891349 0.077506 O\n0.907456 0.771126 0.700936 O\n0.228874 0.092544 0.799064 O\n0.092544 0.228874 0.299064 O\n0.771126 0.907456 0.200936 O\n0.635042 0.098528 0.660826 O\n0.901472 0.364958 0.839174 O\n0.364958 0.901472 0.339174 O\n0.098528 0.635042 0.160826 O\n0.720652 0.390830 0.657803 O\n0.609170 0.279348 0.842197 O\n0.279348 0.609170 0.342197 O\n0.390830 0.720652 0.157803 O\n0.370546 0.454360 0.676998 O\n0.545640 0.629454 0.823002 O\n0.629454 0.545640 0.323002 O\n0.454360 0.370546 0.176998 O\n0.078055 0.328072 0.677235 O\n0.671928 0.921945 0.822765 O\n0.921945 0.671928 0.322765 O\n0.328072 0.078055 0.177235 O\n0.980342 0.248470 0.565030 O\n0.751530 0.019658 0.934970 O\n0.019658 0.751530 0.434970 O\n0.248470 0.980342 0.065030 O\n0.306293 0.812635 0.538967 O\n0.187365 0.693707 0.961033 O\n0.693707 0.187365 0.461033 O\n0.812635 0.306293 0.038967 O\n0.467136 0.812310 0.667617 O\n0.187690 0.532864 0.832383 O\n0.532864 0.187690 0.332383 O\n0.812310 0.467136 0.167617 O\n0.301359 0.374931 0.522305 O\n0.625069 0.698642 0.977695 O\n0.698641 0.625069 0.477695 O\n0.374931 0.301359 0.022305 O\n",
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{
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