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{
"id": "jvasp-39488",
"created_at": "2022-09-04T14:38:03.019829Z",
"updated_at": "2022-09-04T14:38:03.019846Z",
"structure_string": "Re2 Br2\n1.0\n1.531765 -2.653094 -0.000000\n1.531765 2.653094 -0.000000\n-0.000000 0.000000 8.883579\nRe Br\n2 2\ndirect\n0.333332 0.666665 0.324283 Re\n0.666665 0.333332 0.824283 Re\n0.333332 0.666665 0.050718 Br\n0.666665 0.333332 0.550718 Br\n",
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{
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"structure_string": "Ti2 I2\n1.0\n1.779276 -3.081796 0.000000\n1.779276 3.081796 -0.000000\n-0.000000 0.000000 9.284455\nTi I\n2 2\ndirect\n0.333334 0.666668 0.337555 Ti\n0.666668 0.333334 0.837555 Ti\n0.333334 0.666668 0.037444 I\n0.666668 0.333334 0.537443 I\n",
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{
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"structure_string": "Ba1 N1\n1.0\n-2.851347 -2.851347 -0.000000\n-2.851347 -0.000000 -2.851347\n-0.000000 -2.851347 -2.851347\nBa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.500001 N\n",
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{
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"created_at": "2022-09-04T14:37:44.229998Z",
"updated_at": "2022-09-04T14:37:44.230025Z",
"structure_string": "U2 Pt2\n1.0\n3.828470 -0.000000 -1.313643\n0.000000 4.223439 0.000000\n-0.226536 0.000000 5.575441\nU Pt\n2 2\ndirect\n0.129445 0.750000 0.258889 U\n0.870554 0.250000 0.741111 U\n0.602394 0.250000 0.204787 Pt\n0.397605 0.750000 0.795213 Pt\n",
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{
"id": "jvasp-37140",
"created_at": "2022-09-04T14:38:04.052925Z",
"updated_at": "2022-09-04T14:38:04.052948Z",
"structure_string": "Nb2 N2\n1.0\n1.478615 -2.561036 -0.000000\n1.478615 2.561036 0.000000\n0.000000 0.000000 5.902984\nNb N\n2 2\ndirect\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333331 0.666666 0.250000 N\n0.666666 0.333331 0.750000 N\n",
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"elements": [
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"volume": 44.706677232962996,
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"formula_full": "Nb2 N2",
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{
"id": "jvasp-39406",
"created_at": "2022-09-04T14:37:58.412032Z",
"updated_at": "2022-09-04T14:37:58.412062Z",
"structure_string": "Lu2 Br2\n1.0\n1.784292 -3.090485 -0.000000\n1.784292 3.090485 -0.000000\n0.000000 0.000000 9.821643\nLu Br\n2 2\ndirect\n0.333333 0.666666 0.330561 Lu\n0.666666 0.333333 0.830561 Lu\n0.333333 0.666666 0.044440 Br\n0.666666 0.333333 0.544440 Br\n",
"nsites": 4,
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{
"id": "jvasp-110250",
"created_at": "2022-09-04T14:37:53.709592Z",
"updated_at": "2022-09-04T14:37:53.709602Z",
"structure_string": "Fe1 Ir1\n1.0\n2.523991 -0.002768 3.675646\n1.138459 2.252654 3.675646\n-0.004506 -0.002768 4.458799\nFe Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.499998 0.500003 Ir\n",
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{
"id": "jvasp-16578",
"created_at": "2022-09-04T14:38:02.117946Z",
"updated_at": "2022-09-04T14:38:02.117978Z",
"structure_string": "Mn1 Zn1\n1.0\n2.989805 -0.000000 -0.000000\n-0.000000 2.989805 -0.000000\n0.000000 0.000000 2.989805\nMn Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500001 Zn\n",
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{
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"created_at": "2022-09-04T14:37:54.212551Z",
"updated_at": "2022-09-04T14:37:54.212570Z",
"structure_string": "Mo1 N1\n1.0\n1.438886 -2.492223 -0.000000\n1.438886 2.492223 -0.000000\n-0.000000 -0.000000 2.855852\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.666668 0.333335 0.500000 N\n",
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{
"id": "jvasp-91234",
"created_at": "2022-09-04T14:36:00.773408Z",
"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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"created_at": "2022-09-04T14:35:56.573502Z",
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"structure_string": "Ba2 P20\n1.0\n6.522011 0.000000 0.000000\n-3.261006 6.348253 0.000000\n0.000000 0.000000 12.064909\nBa P\n2 20\ndirect\n0.186001 0.372004 0.002050 Ba\n0.813998 0.627996 0.502050 Ba\n0.227103 0.957181 0.318058 P\n0.772896 0.042819 0.818058 P\n0.615743 0.741778 0.167804 P\n0.384256 0.258221 0.667804 P\n0.126034 0.741778 0.167804 P\n0.873965 0.258221 0.667804 P\n0.445941 0.891883 0.065092 P\n0.554058 0.108117 0.565092 P\n0.094258 0.188516 0.276532 P\n0.730076 0.957181 0.318058 P\n0.804134 0.608270 0.926449 P\n0.596056 0.192113 0.284960 P\n0.403943 0.807887 0.784960 P\n0.928490 0.856980 0.057728 P\n0.071509 0.143020 0.557728 P\n0.612664 0.225329 0.104865 P\n0.387335 0.774671 0.604865 P\n0.269923 0.042819 0.818058 P\n0.195865 0.391730 0.426449 P\n0.905741 0.811483 0.776532 P\n",
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{
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"updated_at": "2022-09-04T14:38:10.434871Z",
"structure_string": "Mg10 Fe1 O11\n1.0\n5.158598 0.012187 0.007894\n-0.878010 6.600924 0.005769\n-1.723951 -2.249025 6.026118\nMg Fe O\n10 1 11\ndirect\n0.955045 0.090099 0.820103 Mg\n0.044956 0.909900 0.179897 Mg\n0.409188 0.180961 0.640257 Mg\n0.861929 0.271196 0.452682 Mg\n0.772652 0.450955 0.090908 Mg\n0.320967 0.362173 0.272203 Mg\n0.679034 0.637826 0.727797 Mg\n0.227349 0.549044 0.909092 Mg\n0.590813 0.819038 0.359743 Mg\n0.138071 0.728803 0.547318 Mg\n0.500000 0.000000 -0.000000 Fe\n0.545740 0.909842 0.683464 O\n0.907171 0.180418 0.135718 O\n0.000000 -0.000000 0.500000 O\n0.818027 0.364109 0.773186 O\n0.454260 0.090157 0.316536 O\n0.364336 0.271699 0.955863 O\n0.727480 0.546245 0.409194 O\n0.635664 0.728300 0.044136 O\n0.272521 0.453754 0.590806 O\n0.092829 0.819581 0.864282 O\n0.181973 0.635890 0.226813 O\n",
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}