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"id": "jvasp-10264",
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{
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"structure_string": "H6 C14 N2 O2\n1.0\n3.625922 0.040292 0.010134\n0.261226 5.426356 0.006026\n-0.006226 0.000630 11.653166\nH C N O\n6 14 2 2\ndirect\n0.558524 0.615400 0.764185 H\n0.633401 0.522014 0.977444 H\n0.190642 0.815992 0.900975 H\n0.338947 0.643533 0.477418 H\n0.414076 0.550209 0.264151 H\n0.781792 0.349577 0.400971 H\n0.915961 0.177294 0.371403 C\n0.954609 0.122924 0.255304 C\n0.953404 0.118606 0.071704 C\n0.132585 0.898557 0.221063 C\n0.276775 0.719985 0.296084 C\n0.234900 0.774256 0.412419 C\n0.057490 0.999549 0.449783 C\n0.019111 0.046979 0.571697 C\n0.017935 0.042673 0.755304 C\n0.056494 0.988275 0.871408 C\n0.914940 0.166014 0.949795 C\n0.737531 0.391309 0.912440 C\n0.695772 0.445613 0.796106 C\n0.839980 0.267048 0.721074 C\n0.129515 0.908521 0.658105 N\n0.843046 0.257078 0.158120 N\n0.838260 0.272003 0.603029 O\n0.134298 0.893594 0.103022 O\n",
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{
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"updated_at": "2022-09-04T14:37:33.806876Z",
"structure_string": "Na4 Ni4 F12\n1.0\n5.346565 0.000000 0.000000\n0.000000 5.576620 0.000000\n0.000000 0.000000 7.686630\nNa Ni F\n4 4 12\ndirect\n0.018534 0.935800 0.750000 Na\n0.518534 0.564200 0.250000 Na\n0.481467 0.435800 0.750000 Na\n0.981467 0.064200 0.250000 Na\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.610476 0.038486 0.750000 F\n0.110475 0.461514 0.250000 F\n0.692962 0.301950 0.056907 F\n0.192962 0.198050 0.943093 F\n0.807039 0.801950 0.443093 F\n0.192962 0.198050 0.556907 F\n0.307039 0.698050 0.943093 F\n0.807039 0.801950 0.056907 F\n0.389525 0.961514 0.250000 F\n0.692962 0.301950 0.443093 F\n0.307039 0.698050 0.556907 F\n0.889525 0.538486 0.750000 F\n",
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"structure_string": "Mg2 Bi4 O8\n1.0\n6.836179 0.104826 -0.001218\n0.097345 6.836356 -0.000755\n-3.465840 -3.469936 4.906453\nMg Bi O\n2 4 8\ndirect\n0.624999 0.875020 0.750035 Mg\n0.374987 0.124991 0.249968 Mg\n0.938373 0.438391 0.438403 Bi\n-0.000050 0.000000 0.561610 Bi\n0.061668 0.561665 0.061661 Bi\n0.500006 0.499946 0.938331 Bi\n0.263755 0.762513 0.016741 O\n0.253028 0.254226 0.490488 O\n0.737459 0.236264 0.483223 O\n0.746983 0.745750 0.983241 O\n0.262512 0.763746 0.509500 O\n0.754232 0.753034 0.516788 O\n0.245744 0.246973 0.009474 O\n0.736300 0.237487 -0.009461 O\n",
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"updated_at": "2022-09-04T14:36:05.025392Z",
"structure_string": "U4 Co4 B16\n1.0\n3.400828 0.000000 0.000000\n0.000000 5.895643 0.000000\n0.000000 -0.000000 11.432086\nU Co B\n4 4 16\ndirect\n0.000000 0.126577 0.849678 U\n0.000000 0.873422 0.150322 U\n0.000000 0.373422 0.349678 U\n0.000000 0.626577 0.650322 U\n0.000000 0.132152 0.587742 Co\n0.000000 0.867847 0.412258 Co\n0.000000 0.367847 0.087742 Co\n0.000000 0.632152 0.912258 Co\n0.500000 0.526127 0.191883 B\n0.500000 0.473873 0.808118 B\n0.500000 0.886908 0.546160 B\n0.500000 0.113092 0.453841 B\n0.500000 0.613091 0.046160 B\n0.500000 0.386908 0.953841 B\n0.500000 0.864350 0.966396 B\n0.500000 0.783031 0.813510 B\n0.500000 0.635649 0.466396 B\n0.500000 0.364350 0.533605 B\n0.500000 0.026127 0.308118 B\n0.500000 0.216968 0.186490 B\n0.500000 0.716968 0.313510 B\n0.500000 0.283031 0.686490 B\n0.500000 0.135650 0.033604 B\n0.500000 0.973872 0.691883 B\n",
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{
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"structure_string": "Ba4 Tl1 Ru1\n1.0\n0.000000 4.857484 4.857484\n4.857484 -0.000000 4.857484\n4.857484 4.857484 0.000000\nBa Tl Ru\n4 1 1\ndirect\n0.126523 0.624492 0.624492 Ba\n0.624492 0.624492 0.624492 Ba\n0.624492 0.126523 0.624492 Ba\n0.624492 0.624492 0.126523 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ru\n",
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{
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}