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{
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{
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"structure_string": "Ti12 O4\n1.0\n5.097429 0.000000 -0.000000\n-2.548715 4.414503 -0.000000\n0.000000 -0.000000 9.853674\nTi O\n12 4\ndirect\n0.330728 -0.000000 0.624997 Ti\n0.669272 -0.000000 0.375002 Ti\n0.669271 0.669271 0.124998 Ti\n-0.000001 0.669271 0.375002 Ti\n-0.000000 0.330728 0.624997 Ti\n0.669272 -0.000000 0.875002 Ti\n-0.000001 0.669271 0.875002 Ti\n0.330728 0.330728 0.875002 Ti\n0.330728 0.330728 0.375002 Ti\n0.669271 0.669271 0.624997 Ti\n0.330728 -0.000000 0.124998 Ti\n-0.000000 0.330728 0.124998 Ti\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:34.056162Z",
"structure_string": "Y1 Mn6 Ge6\n1.0\n2.544816 -4.407751 0.000000\n2.544816 4.407751 -0.000000\n0.000000 -0.000000 8.103114\nY Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.749521 Mn\n0.000000 0.500000 0.250478 Mn\n0.500000 0.000000 0.250478 Mn\n0.500001 0.500001 0.250478 Mn\n0.000000 0.500000 0.749521 Mn\n0.500000 0.000000 0.749521 Mn\n0.666668 0.333334 0.000000 Ge\n0.000000 0.000000 0.345625 Ge\n0.000000 0.000000 0.654374 Ge\n0.666668 0.333334 0.500000 Ge\n0.333334 0.666668 0.500000 Ge\n0.333334 0.666668 0.000000 Ge\n",
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{
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"updated_at": "2022-09-04T14:36:00.204899Z",
"structure_string": "Nd20 Ir12\n1.0\n6.590318 -0.000000 0.000000\n0.000000 11.226961 -0.000000\n-0.000000 0.000000 11.226961\nNd Ir\n20 12\ndirect\n0.118055 0.042096 0.340158 Nd\n0.500000 0.750000 0.250000 Nd\n0.500000 0.250000 0.750000 Nd\n0.000000 0.250000 0.750000 Nd\n0.000000 0.750000 0.250000 Nd\n0.618055 0.159842 0.457904 Nd\n0.618055 0.042096 0.159842 Nd\n0.618055 0.457904 0.340158 Nd\n0.881945 0.542096 0.840157 Nd\n0.881945 0.659842 0.542096 Nd\n0.618055 0.340158 0.042096 Nd\n0.881945 0.957904 0.659842 Nd\n0.381945 0.659842 0.957904 Nd\n0.381945 0.840157 0.542096 Nd\n0.381945 0.957904 0.840157 Nd\n0.381945 0.542096 0.659842 Nd\n0.118055 0.457904 0.159842 Nd\n0.118055 0.340158 0.457904 Nd\n0.118055 0.159842 0.042096 Nd\n0.881945 0.840157 0.957904 Nd\n0.118939 0.750000 0.750000 Ir\n0.381061 0.250000 0.250000 Ir\n0.750000 0.096303 0.903697 Ir\n0.750000 0.596303 0.096303 Ir\n0.750000 0.903697 0.403697 Ir\n0.250000 0.096303 0.596303 Ir\n0.250000 0.903697 0.096303 Ir\n0.250000 0.403697 0.903697 Ir\n0.250000 0.596303 0.403697 Ir\n0.618939 0.750000 0.750000 Ir\n0.750000 0.403697 0.596303 Ir\n0.881061 0.250000 0.250000 Ir\n",
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{
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"updated_at": "2022-09-04T14:36:03.596293Z",
"structure_string": "Zn2 H8 N4 O16\n1.0\n5.600472 0.000000 -0.018244\n0.000000 5.988716 0.000000\n0.128025 0.000000 8.555735\nZn H N O\n2 8 4 16\ndirect\n0.500000 0.500000 0.000000 Zn\n0.499999 0.000000 0.500001 Zn\n0.696932 0.165553 0.891483 H\n0.303066 0.665553 0.608518 H\n0.303067 0.834448 0.108518 H\n0.696932 0.334448 0.391483 H\n0.911829 0.277688 0.980866 H\n0.088169 0.777688 0.519135 H\n0.088170 0.722313 0.019135 H\n0.911830 0.222313 0.480866 H\n0.243479 0.354580 0.303728 N\n0.756520 0.854581 0.196273 N\n0.243478 0.145420 0.803728 N\n0.756520 0.645420 0.696273 N\n0.229867 0.260705 0.931125 O\n0.261898 0.745500 0.511384 O\n0.738100 0.245499 0.988617 O\n0.229867 0.239295 0.431125 O\n0.770132 0.739295 0.068876 O\n0.770131 0.760706 0.568876 O\n0.451324 0.390976 0.244951 O\n0.060278 0.073794 0.742546 O\n0.548675 0.609025 0.755050 O\n0.451323 0.109025 0.744951 O\n0.060278 0.426207 0.242546 O\n0.939721 0.926207 0.257455 O\n0.939721 0.573794 0.757455 O\n0.261899 0.754501 0.011384 O\n0.548676 0.890976 0.255050 O\n0.738101 0.254501 0.488617 O\n",
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{
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{
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"updated_at": "2022-09-04T14:37:52.742287Z",
"structure_string": "Ho1 Sc1 Ru2\n1.0\n0.000000 3.286820 3.286820\n3.286820 -0.000000 3.286820\n3.286820 3.286820 -0.000000\nHo Sc Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
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{
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"structure_string": "Li2 Mn4 P4 H2 O16\n1.0\n5.100326 0.051778 0.818702\n-2.535408 7.941347 0.721813\n-0.370757 -0.123159 8.571202\nLi Mn P H O\n2 4 4 2 16\ndirect\n0.632604 0.318622 0.171503 Li\n0.367396 0.681378 0.828496 Li\n0.760806 0.413099 0.780684 Mn\n0.239193 0.586901 0.219315 Mn\n0.296576 0.110585 0.609656 Mn\n0.703425 0.889416 0.390344 Mn\n0.142893 0.739801 0.562335 P\n0.857108 0.260201 0.437664 P\n0.850327 0.738806 0.061388 P\n0.149673 0.261194 0.938612 P\n0.864222 0.924284 0.864243 H\n0.135777 0.075715 0.135755 H\n0.695874 0.261776 0.604417 O\n0.338589 0.876045 0.641397 O\n0.661411 0.123955 0.358602 O\n0.244131 0.195130 0.098561 O\n0.755869 0.804870 0.901438 O\n0.304125 0.738225 0.395583 O\n0.883060 0.307227 0.979410 O\n0.891432 0.879968 0.168025 O\n0.127048 0.222731 0.453593 O\n0.872953 0.777271 0.546406 O\n0.615170 0.582277 0.131245 O\n0.384830 0.417723 0.868754 O\n0.898334 0.425320 0.330459 O\n0.108568 0.120032 0.831974 O\n0.116940 0.692773 0.020590 O\n0.101665 0.574681 0.669541 O\n",
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