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{
"id": "jvasp-50858",
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"structure_string": "Ca2 Tb4 O8\n1.0\n1.662993 5.544034 0.000000\n-1.662993 5.544034 0.000000\n0.000000 -0.000000 10.978623\nTb Ca O\n4 2 8\ndirect\n0.367892 0.367892 0.425075 Tb\n0.367892 0.367892 0.074925 Tb\n0.632107 0.632107 0.574925 Tb\n0.632107 0.632107 0.925075 Tb\n0.112867 0.112867 0.250000 Ca\n0.887133 0.887133 0.750000 Ca\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.267598 0.267598 0.614174 O\n0.469015 0.469015 0.250000 O\n0.530985 0.530985 0.750000 O\n0.732401 0.732401 0.385826 O\n0.267598 0.267598 0.885826 O\n0.732401 0.732401 0.114174 O\n",
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{
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"structure_string": "Ca2 Tc2 O6\n1.0\n4.751714 -0.018939 2.630232\n1.541726 4.494528 2.630119\n-0.026345 -0.018878 5.430749\nCa Tc O\n2 2 6\ndirect\n0.255762 0.255758 0.255758 Ca\n0.755756 0.755760 0.755762 Ca\n0.005696 0.005697 0.005696 Tc\n0.505694 0.505695 0.505694 Tc\n0.255686 0.836791 0.674586 O\n0.836789 0.674590 0.255641 O\n0.674615 0.255661 0.836780 O\n0.174593 0.336792 0.755686 O\n0.755638 0.174591 0.336798 O\n0.336766 0.755669 0.174602 O\n",
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{
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"updated_at": "2022-09-04T14:35:44.196319Z",
"structure_string": "Ca2 Th1 Si8 O20\n1.0\n6.864945 0.000000 -3.082117\n-1.383762 6.724036 -3.082117\n0.030018 0.036824 9.253223\nCa Th Si O\n2 1 8 20\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Th\n0.815165 0.895301 0.293792 Si\n0.521372 0.104699 0.706207 Si\n0.184835 0.601508 0.706207 Si\n0.601508 0.521372 0.706207 Si\n0.478628 0.398492 0.293792 Si\n0.895300 0.478628 0.293792 Si\n0.398492 0.815166 0.293792 Si\n0.104700 0.184834 0.706207 Si\n0.127170 0.422760 0.748686 O\n0.422760 0.621517 0.748686 O\n0.872830 0.674074 0.251313 O\n0.954280 0.045719 0.499999 O\n0.023522 0.175775 0.838982 O\n0.545719 0.454280 0.499999 O\n0.336792 0.184540 0.161017 O\n0.045720 0.545720 0.500000 O\n0.184540 0.824225 0.161017 O\n0.378483 0.577240 0.251313 O\n0.621517 0.325926 0.748686 O\n0.325927 0.127169 0.748686 O\n0.976477 0.336793 0.161017 O\n0.577240 0.872831 0.251313 O\n0.815460 0.663208 0.838982 O\n0.824225 0.976479 0.161017 O\n0.454281 0.954281 0.500000 O\n0.663207 0.023522 0.838982 O\n0.175775 0.815461 0.838982 O\n0.674073 0.378483 0.251313 O\n",
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"structure_string": "Ca2 Th2 Br12\n1.0\n4.220677 0.000000 0.000000\n0.000000 9.111813 0.000000\n0.000000 0.000000 12.162426\nCa Th Br\n2 2 12\ndirect\n0.500000 0.750000 0.732994 Ca\n0.500000 0.250000 0.267006 Ca\n0.000000 0.750000 0.256078 Th\n0.000000 0.250000 0.743923 Th\n0.000000 0.750000 0.566780 Br\n0.500000 0.566719 0.363319 Br\n0.500000 0.750000 0.086202 Br\n0.500000 0.250000 0.913798 Br\n0.000000 0.556464 0.848047 Br\n0.000000 0.250000 0.433221 Br\n0.000000 0.443536 0.151953 Br\n0.500000 0.066719 0.636681 Br\n0.000000 0.056464 0.151953 Br\n0.000000 0.943535 0.848047 Br\n0.500000 0.933281 0.363319 Br\n0.500000 0.433281 0.636681 Br\n",
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"structure_string": "Ca2 Ti1 O3\n1.0\n0.000000 6.943894 2.308555\n2.308253 0.000000 2.308555\n2.308253 6.943894 0.000000\nCa Ti O\n2 1 3\ndirect\n0.897742 0.571896 0.428103 Ca\n0.571895 0.897742 0.102257 Ca\n0.234857 0.234858 0.765141 Ti\n0.392785 0.076873 0.923126 O\n0.076873 0.392785 0.607214 O\n0.734929 0.734929 0.265070 O\n",
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"structure_string": "Ca2 Ti1 O4\n1.0\n3.683015 -0.000000 -1.087185\n-0.320925 3.669007 -1.087185\n-0.065545 -0.071529 6.559948\nCa Ti O\n2 1 4\ndirect\n0.353964 0.353964 0.707925 Ca\n0.646037 0.646037 0.292074 Ca\n0.000000 0.000000 0.000000 Ti\n0.500001 -0.000000 -0.000000 O\n0.000001 0.500000 -0.000000 O\n0.166240 0.166240 0.332479 O\n0.833761 0.833760 0.667520 O\n",
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"structure_string": "Ca2 Ti1 Si2 Sn1 O10\n1.0\n5.322355 -0.030380 -1.289524\n-1.923083 5.051172 -1.375390\n0.089112 -0.010583 7.163459\nCa Ti Si Sn O\n2 1 2 1 10\ndirect\n0.164410 0.833225 0.779851 Ca\n0.835589 0.166775 0.220150 Ca\n0.500000 0.500000 0.000000 Ti\n0.179486 0.816210 0.249815 Si\n0.820513 0.183791 0.750186 Si\n0.500000 0.500000 0.500000 Sn\n0.226826 0.111988 0.401761 O\n0.111188 0.259489 0.925907 O\n0.773173 0.888013 0.598240 O\n0.888812 0.740511 0.074094 O\n0.580843 0.422020 0.239012 O\n0.419156 0.577980 0.760989 O\n0.594399 0.181682 0.870436 O\n0.174986 0.611359 0.380314 O\n0.405600 0.818318 0.129565 O\n0.825013 0.388641 0.619687 O\n",
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}