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"structure_string": "Na1 Be1 Cl2\n1.0\n-2.402589 2.402589 3.397907\n2.402589 -2.402589 3.397907\n2.402589 2.402589 -3.397907\nNa Be Cl\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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{
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"structure_string": "Zn1 H6 C5 O4\n1.0\n4.607267 -0.225306 -1.100287\n-1.919357 4.137696 -0.078208\n-0.381842 0.172862 8.069545\nZn H C O\n1 6 5 4\ndirect\n0.108885 0.444704 0.244551 Zn\n0.607601 0.845693 0.601621 H\n0.609489 0.170758 0.719807 H\n0.068374 0.450568 0.638371 H\n0.261717 0.362930 0.930628 H\n0.062725 0.761585 0.761375 H\n0.629001 0.572669 0.868300 H\n0.252380 -0.000989 0.468627 C\n0.449216 0.937015 0.635952 C\n0.227469 0.677684 0.728337 C\n0.424447 0.597140 0.893935 C\n0.568719 0.865827 0.043459 C\n0.017486 0.758760 0.359025 O\n0.331705 0.301188 0.446831 O\n0.822517 0.133955 0.037476 O\n0.440976 0.834566 0.165332 O\n",
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"structure_string": "Ca4 C8\n1.0\n-4.068356 -0.152072 -0.110478\n-0.328102 -6.677201 -0.395799\n1.466479 2.673487 7.399049\nCa C\n4 8\ndirect\n0.750024 0.499970 0.250006 Ca\n0.249977 0.500029 0.749994 Ca\n0.749943 0.000031 0.749996 Ca\n0.250058 -0.000032 0.250004 Ca\n0.314589 0.249614 0.935697 C\n0.685412 0.750385 0.064303 C\n0.185356 0.250384 0.064295 C\n0.814644 0.749615 0.935705 C\n0.185250 0.750472 0.564290 C\n0.814750 0.249527 0.435710 C\n0.314728 0.749528 0.435715 C\n0.685273 0.250472 0.564285 C\n",
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{
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"updated_at": "2022-09-04T14:37:05.870671Z",
"structure_string": "Mg1 Be2 B1\n1.0\n-0.000000 2.725649 2.725649\n2.725649 -0.000000 2.725649\n2.725649 2.725649 0.000000\nMg Be B\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Be\n0.500000 0.500000 0.500000 B\n",
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{
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"structure_string": "Ca2 C4\n1.0\n3.764497 0.000000 0.000000\n0.000000 4.869180 0.000000\n0.000000 0.000000 5.329022\nCa C\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.871313 0.500002 C\n0.500000 0.628687 0.000002 C\n0.500000 0.371313 -0.000002 C\n0.000000 0.128687 0.499998 C\n",
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{
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"created_at": "2022-09-04T14:38:30.991368Z",
"updated_at": "2022-09-04T14:38:30.991389Z",
"structure_string": "Mg3 Ti1 H8\n1.0\n4.612997 -0.000000 0.000000\n0.000000 4.612997 0.000000\n-0.000000 -0.000000 4.612997\nMg Ti H\n3 1 8\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.244118 0.244118 0.755883 H\n0.244118 0.755883 0.244118 H\n0.755883 0.244118 0.244118 H\n0.755883 0.755883 0.755883 H\n0.755883 0.755883 0.244118 H\n0.755883 0.244118 0.755883 H\n0.244118 0.755883 0.755883 H\n0.244118 0.244118 0.244118 H\n",
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"updated_at": "2022-09-04T14:36:00.773434Z",
"structure_string": "K6 C60\n1.0\n9.253157 -0.000000 -3.271485\n-4.626578 8.013470 -3.271485\n-0.000000 -0.000000 9.814455\nK C\n6 60\ndirect\n0.219146 0.719146 0.500001 K\n0.780854 0.280854 0.500001 K\n0.280854 0.500000 0.780855 K\n0.500000 0.780854 0.280855 K\n0.719146 0.500000 0.219146 K\n0.500000 0.219146 0.719146 K\n0.165498 0.395462 0.023352 C\n0.372111 0.142146 0.976649 C\n0.433783 0.292939 0.268206 C\n0.165579 0.731795 0.024735 C\n0.140845 0.975265 0.707062 C\n0.834421 0.859155 0.566218 C\n0.731795 0.024735 0.165580 C\n0.707062 0.140845 0.975266 C\n0.859155 0.566217 0.834422 C\n0.268205 0.433783 0.292939 C\n0.292939 0.268205 0.433784 C\n0.024735 0.165579 0.731795 C\n0.975266 0.707061 0.140846 C\n0.834503 0.857854 0.229965 C\n0.834421 0.268205 0.975267 C\n0.859156 0.024735 0.292939 C\n0.165579 0.140845 0.433784 C\n0.268205 0.975265 0.834422 C\n0.292939 0.859155 0.024735 C\n0.140845 0.433783 0.165580 C\n0.731795 0.566217 0.707062 C\n0.707061 0.731795 0.566218 C\n0.975266 0.834421 0.268206 C\n0.024734 0.292939 0.859156 C\n0.433783 0.165579 0.140845 C\n0.566217 0.834421 0.859156 C\n0.566217 0.707061 0.731796 C\n0.309031 0.372119 0.063089 C\n0.976649 0.372111 0.142147 C\n0.245942 0.936912 0.309031 C\n0.936912 0.690969 0.627882 C\n0.754058 0.063088 0.690970 C\n0.936912 0.309031 0.245943 C\n0.627881 0.936912 0.690970 C\n0.063088 0.690969 0.754058 C\n0.063088 0.309031 0.372119 C\n0.372119 0.063088 0.309031 C\n0.309031 0.245942 0.936912 C\n0.690969 0.627881 0.936913 C\n0.690969 0.754058 0.063089 C\n0.372111 0.395462 0.229965 C\n0.142146 0.770036 0.165498 C\n0.976649 0.834502 0.604539 C\n0.857854 0.023351 0.627890 C\n0.770036 0.165498 0.142147 C\n0.604538 0.976649 0.834504 C\n0.023351 0.627889 0.857854 C\n0.229964 0.372111 0.395462 C\n0.395462 0.229964 0.372111 C\n0.165498 0.142146 0.770036 C\n0.834503 0.604538 0.976650 C\n0.627889 0.857854 0.023352 C\n0.627890 0.604538 0.770037 C\n0.857854 0.229964 0.834503 C\n0.023351 0.165498 0.395462 C\n0.142146 0.976649 0.372111 C\n0.229964 0.834502 0.857855 C\n0.395462 0.023351 0.165498 C\n0.770036 0.627889 0.604539 C\n0.604538 0.770036 0.627890 C\n",
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{
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"structure_string": "Li5 Fe1 S4\n1.0\n3.578661 0.000893 -0.004033\n-0.001784 6.768450 -0.028659\n-1.780055 -3.354756 6.898157\nLi Fe S\n5 1 4\ndirect\n0.821355 0.618125 0.644016 Li\n0.821381 0.024892 0.643990 Li\n0.169501 0.944579 0.340359 Li\n0.169482 0.394878 0.340350 Li\n0.516698 0.516736 0.034388 Li\n0.529899 0.030019 0.060944 Fe\n-0.003165 0.233205 -0.005222 S\n0.269974 0.770117 0.541183 S\n0.701947 0.202177 0.405271 S\n-0.003138 0.760683 -0.005190 S\n",
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"structure_string": "Sr4 Mg4\n1.0\n6.986426 -0.000000 -0.000000\n0.000000 6.986426 -0.000000\n0.000000 -0.000000 6.986426\nSr Mg\n4 4\ndirect\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
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"structure_string": "Si4 O8\n1.0\n5.067789 -0.052535 -0.000000\n-2.579253 4.362648 -0.000000\n0.000000 -0.000000 8.330201\nSi O\n4 8\ndirect\n0.340426 0.668654 0.062796 Si\n0.668654 0.340425 0.562796 Si\n0.340426 0.668654 0.437204 Si\n0.668654 0.340425 0.937204 Si\n0.611916 0.611916 0.000000 O\n0.460057 0.033576 0.454433 O\n0.567796 0.256948 0.750000 O\n0.033577 0.460057 0.545567 O\n0.256948 0.567796 0.250000 O\n0.033577 0.460057 0.954433 O\n0.611916 0.611916 0.500000 O\n0.460057 0.033576 0.045567 O\n",
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"structure_string": "Na1 Mg6 Ga1\n1.0\n6.411576 0.024882 0.000000\n-3.184240 5.515265 0.000000\n0.000000 0.000000 5.125458\nNa Mg Ga\n1 6 1\ndirect\n0.166124 0.333062 0.250000 Na\n0.667666 0.332434 0.250000 Mg\n0.667666 0.835230 0.250000 Mg\n0.330080 0.158936 0.750000 Mg\n0.330080 0.671142 0.750000 Mg\n0.826578 0.163288 0.750000 Mg\n0.835339 0.667669 0.750000 Mg\n0.176469 0.838233 0.250000 Ga\n",
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}