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{
"id": "jvasp-61768",
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{
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"created_at": "2022-09-04T14:38:40.986543Z",
"updated_at": "2022-09-04T14:38:40.986576Z",
"structure_string": "Al12 Fe8 Si4\n1.0\n6.598257 -0.000000 3.809505\n2.199419 6.220896 3.809505\n-0.000000 -0.000000 7.619010\nAl Fe Si\n12 8 4\ndirect\n0.799313 0.799313 0.200688 Al\n0.049313 0.450688 0.450687 Al\n0.049313 0.450688 0.049313 Al\n0.450687 0.049313 0.450687 Al\n0.049313 0.049313 0.450687 Al\n0.450687 0.450688 0.049313 Al\n0.450687 0.049313 0.049313 Al\n0.200687 0.799313 0.799313 Al\n0.200687 0.799313 0.200688 Al\n0.799313 0.200687 0.799313 Al\n0.200687 0.200687 0.799313 Al\n0.799313 0.200687 0.200688 Al\n0.840715 0.840715 0.840715 Fe\n0.840715 0.840715 0.477858 Fe\n0.840715 0.477858 0.840715 Fe\n0.477857 0.840715 0.840715 Fe\n0.409286 0.409286 0.409286 Fe\n0.409286 0.772143 0.409286 Fe\n0.772143 0.409286 0.409286 Fe\n0.409286 0.409286 0.772143 Fe\n0.625000 0.625000 0.125000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.625000 Si\n",
"nsites": 24,
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{
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"updated_at": "2022-09-04T14:38:35.262302Z",
"structure_string": "Ba3 B3 P3 O15\n1.0\n3.581776 -6.203818 -0.000000\n3.581776 6.203818 0.000000\n0.000000 0.000000 7.039395\nBa B P O\n3 3 3 15\ndirect\n0.000000 0.394932 0.333333 Ba\n0.605069 0.605069 0.000000 Ba\n0.394932 0.000000 0.666667 Ba\n0.093533 0.093533 0.000000 B\n0.906468 0.000000 0.666667 B\n0.000000 0.906468 0.333333 B\n0.000000 0.390382 0.833332 P\n0.609619 0.609619 0.500000 P\n0.390382 0.000000 0.166667 P\n0.571211 0.142794 0.300183 O\n0.860281 0.182805 0.703718 O\n0.322526 0.139720 0.037051 O\n0.817196 0.677475 0.370385 O\n0.139720 0.322526 0.962948 O\n0.677475 0.817196 0.629615 O\n0.959942 0.000000 0.166667 O\n0.428790 0.571584 0.366484 O\n0.428417 0.857207 0.033151 O\n0.142794 0.571211 0.699816 O\n0.571584 0.428790 0.633516 O\n0.000000 0.959942 0.833332 O\n0.040059 0.040059 0.500000 O\n0.182805 0.860281 0.296282 O\n0.857207 0.428417 0.966849 O\n",
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{
"id": "jvasp-59547",
"created_at": "2022-09-04T14:37:53.464605Z",
"updated_at": "2022-09-04T14:37:53.464621Z",
"structure_string": "Al8 Re12 B4\n1.0\n6.599181 -0.000000 3.810038\n2.199727 6.221767 3.810038\n-0.000000 -0.000000 7.620077\nAl Re B\n8 12 4\ndirect\n0.710982 0.710983 0.710983 Al\n0.710982 0.710983 0.367054 Al\n0.289018 0.632946 0.289018 Al\n0.367054 0.710983 0.710983 Al\n0.289018 0.289018 0.289018 Al\n0.632946 0.289018 0.289018 Al\n0.289018 0.289018 0.632946 Al\n0.710982 0.367054 0.710983 Al\n0.934007 0.934007 0.315993 Re\n0.315993 0.315993 0.934007 Re\n0.065993 0.684007 0.684007 Re\n0.315993 0.934007 0.934007 Re\n0.684007 0.065993 0.684007 Re\n0.684007 0.684007 0.065993 Re\n0.065993 0.065993 0.684007 Re\n0.934007 0.315993 0.934007 Re\n0.315993 0.934007 0.315993 Re\n0.934007 0.315993 0.315993 Re\n0.684007 0.065993 0.065993 Re\n0.065993 0.684007 0.065993 Re\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n",
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{
"id": "jvasp-46823",
"created_at": "2022-09-04T14:38:14.043058Z",
"updated_at": "2022-09-04T14:38:14.043084Z",
"structure_string": "K2 Nb2 P2 C2 O14\n1.0\n0.000000 5.026185 -0.418843\n6.456167 0.000000 0.000000\n0.000000 0.626951 -9.694182\nK Nb P C O\n2 2 2 2 14\ndirect\n0.903961 0.651655 0.157768 K\n0.096039 0.151655 0.842231 K\n0.266966 0.226104 0.329299 Nb\n0.733035 0.726104 0.670701 Nb\n0.325088 0.728766 0.433844 P\n0.674913 0.228766 0.566155 P\n0.477186 0.244404 0.072964 C\n0.522815 0.744404 0.927035 C\n0.383432 0.748255 0.821300 O\n0.719623 0.419362 0.658979 O\n0.725554 0.038872 0.656713 O\n0.127958 0.733226 0.569156 O\n0.383945 0.227525 0.536569 O\n0.616056 0.727525 0.463430 O\n0.616569 0.248255 0.178699 O\n0.274447 0.538872 0.343287 O\n0.280378 0.919363 0.341020 O\n0.788833 0.741764 0.880648 O\n0.211168 0.241764 0.119352 O\n0.427561 0.742219 0.051767 O\n0.872043 0.233226 0.430843 O\n0.572440 0.242219 -0.051767 O\n",
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{
"id": "jvasp-122611",
"created_at": "2022-09-04T14:38:51.904641Z",
"updated_at": "2022-09-04T14:38:51.904668Z",
"structure_string": "Sm1 Sn7\n1.0\n6.788914 -0.000000 -0.000000\n-0.000000 6.788914 -0.000000\n0.000000 -0.000000 6.788914\nSm Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Sm\n0.259413 0.259413 0.759412 Sn\n0.000000 0.500000 0.000000 Sn\n0.259413 0.740587 0.240587 Sn\n0.500000 0.000000 0.000000 Sn\n0.740587 0.259413 0.240587 Sn\n0.500000 0.500000 0.500000 Sn\n0.740587 0.740587 0.759412 Sn\n",
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},
{
"id": "jvasp-111203",
"created_at": "2022-09-04T14:38:49.037517Z",
"updated_at": "2022-09-04T14:38:49.037538Z",
"structure_string": "Na2 Tl1 Cu1 Br6\n1.0\n6.599524 0.000000 3.810237\n2.199841 6.222091 3.810237\n-0.000000 -0.000000 7.620474\nNa Tl Cu Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\n0.737239 0.262760 0.262761 Br\n0.262760 0.262760 0.737240 Br\n0.262760 0.737240 0.737240 Br\n0.262760 0.737240 0.262761 Br\n0.737239 0.262760 0.737240 Br\n0.737239 0.737240 0.262761 Br\n",
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{
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"created_at": "2022-09-04T14:38:15.164386Z",
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"structure_string": "Mn29\n1.0\n6.984219 0.000000 -2.469294\n-3.492109 6.048511 -2.469294\n0.000000 0.000000 7.407883\nMn\n29\ndirect\n0.000000 0.000000 0.000000 Mn\n0.177840 0.370369 0.370370 Mn\n-0.000000 0.629631 0.807470 Mn\n0.629631 0.000000 0.807470 Mn\n0.807470 0.000000 0.629631 Mn\n0.192530 0.822160 0.192530 Mn\n0.822160 0.192530 0.192530 Mn\n-0.000000 0.807470 0.629631 Mn\n0.807470 0.629631 0.000001 Mn\n0.629631 0.807470 0.000001 Mn\n0.370369 0.370369 0.177840 Mn\n0.681671 0.681671 0.286840 Mn\n0.394831 0.713160 0.394832 Mn\n0.370369 0.177840 0.370370 Mn\n0.713160 0.394831 0.394832 Mn\n0.605169 0.000000 0.318329 Mn\n0.318329 0.000000 0.605169 Mn\n0.681671 0.286840 0.681671 Mn\n0.286840 0.681671 0.681671 Mn\n-0.000000 0.318329 0.605169 Mn\n0.318329 0.605169 0.000000 Mn\n0.605169 0.318329 0.000001 Mn\n0.394831 0.394831 0.713160 Mn\n0.000000 0.000000 0.362781 Mn\n-0.000000 0.362781 0.000000 Mn\n0.362782 0.000000 0.000000 Mn\n0.637219 0.637218 0.637219 Mn\n-0.000000 0.605169 0.318329 Mn\n0.192530 0.192530 0.822160 Mn\n",
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{
"id": "jvasp-117769",
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"updated_at": "2022-09-04T14:38:53.684309Z",
"structure_string": "Rb1 Cd1 Br1\n1.0\n5.757319 0.000000 0.000000\n0.000000 5.757319 0.000000\n0.000000 -0.000000 9.441790\nRb Cd Br\n1 1 1\ndirect\n0.000000 0.000000 -0.030845 Rb\n0.000000 0.000000 0.593778 Cd\n0.000000 0.000000 0.296403 Br\n",
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},
{
"id": "jvasp-85787",
"created_at": "2022-09-04T14:38:08.708319Z",
"updated_at": "2022-09-04T14:38:08.708351Z",
"structure_string": "Ba2 Ca2 C2 O6\n1.0\n5.240012 0.000000 0.000000\n-2.620006 4.538041 0.000000\n0.000000 0.000000 13.161489\nBa Ca C O\n2 2 2 6\ndirect\n0.666699 0.333399 0.502726 Ba\n0.333300 0.666601 0.002726 Ba\n0.666631 0.333262 0.805131 Ca\n0.333368 0.666738 0.305131 Ca\n-0.000032 -0.000065 0.922121 C\n0.000032 0.000065 0.422121 C\n0.857327 0.714656 0.924009 O\n0.285250 0.142572 0.924007 O\n0.857321 0.142572 0.924007 O\n0.142672 0.285344 0.424009 O\n0.714749 0.857428 0.424007 O\n0.142677 0.857428 0.424007 O\n",
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"spacegroup": 186
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{
"id": "jvasp-56453",
"created_at": "2022-09-04T14:37:32.764335Z",
"updated_at": "2022-09-04T14:37:32.764354Z",
"structure_string": "Th2 Br8\n1.0\n6.945472 2.878225 -3.660800\n-1.480133 7.371089 -3.660800\n-1.534783 -2.878224 7.699706\nTh Br\n2 8\ndirect\n0.375000 0.125000 0.250000 Th\n0.625001 0.875001 0.750001 Th\n0.676101 0.538716 0.813440 Br\n0.362661 0.176101 0.637386 Br\n0.323900 0.461285 0.186561 Br\n0.961285 0.274725 0.137385 Br\n0.038716 0.725277 0.862616 Br\n0.774724 0.137340 0.313440 Br\n0.637340 0.823901 0.362616 Br\n0.225277 0.862661 0.686562 Br\n",
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}
]
}