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{
"id": "jvasp-54286",
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"structure_string": "Mg4 Si4 O12\n1.0\n4.771624 -0.435988 1.009782\n1.040501 6.184661 0.818788\n-0.650531 0.331725 6.282504\nMg Si O\n4 4 12\ndirect\n0.749999 0.887583 0.112416 Mg\n0.750000 0.299290 0.700708 Mg\n0.250000 0.112415 0.887583 Mg\n0.250000 0.700708 0.299291 Mg\n0.472322 0.671474 0.830319 Si\n0.527677 0.328525 0.169681 Si\n0.027678 0.169681 0.328525 Si\n0.972322 0.830318 0.671474 Si\n0.803184 0.600423 0.711309 O\n0.422166 0.384342 0.895442 O\n0.577834 0.615657 0.104558 O\n0.922165 0.895441 0.384343 O\n0.196815 0.399576 0.288690 O\n0.696815 0.288690 0.399576 O\n0.868554 0.200589 0.062167 O\n0.077835 0.104557 0.615657 O\n0.303185 0.711309 0.600424 O\n0.368554 0.062167 0.200589 O\n0.131446 0.799410 0.937833 O\n0.631445 0.937832 0.799410 O\n",
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{
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"structure_string": "Tl2 V4 Ag2 O12\n1.0\n5.827117 0.045508 0.958436\n1.174022 7.298772 0.399636\n0.078908 0.028966 7.402908\nTl V Ag O\n2 4 2 12\ndirect\n0.250000 0.287894 0.712107 Tl\n0.750000 0.712106 0.287895 Tl\n0.717143 0.630134 0.795639 V\n0.782858 0.204362 0.369867 V\n0.282858 0.369867 0.204362 V\n0.217142 0.795639 0.630134 V\n0.250000 0.894408 0.105593 Ag\n0.750001 0.105593 0.894409 Ag\n0.351774 0.201420 0.050428 O\n0.148226 0.949572 0.798581 O\n0.480178 0.640776 0.666773 O\n0.727555 0.098996 0.575211 O\n0.772446 0.424790 0.901005 O\n0.272446 0.901005 0.424790 O\n0.227554 0.575211 0.098996 O\n0.980179 0.666773 0.640777 O\n0.519822 0.359225 0.333228 O\n0.019822 0.333228 0.359225 O\n0.851774 0.050428 0.201421 O\n0.648226 0.798580 0.949573 O\n",
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{
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"updated_at": "2022-09-04T14:38:05.403443Z",
"structure_string": "Ba4 Er1 Ru3 O12\n1.0\n2.948157 1.702120 9.743208\n-2.948157 1.702120 9.743208\n-0.000000 -3.404239 9.743208\nBa Er Ru O\n4 1 3 12\ndirect\n0.286199 0.286199 0.286199 Ba\n0.713801 0.713801 0.713803 Ba\n0.129071 0.129071 0.129071 Ba\n0.870929 0.870929 0.870930 Ba\n0.000000 0.000000 0.000000 Er\n0.413127 0.413127 0.413127 Ru\n0.586873 0.586873 0.586874 Ru\n0.500000 0.500000 0.500000 Ru\n0.853329 0.386997 0.386999 O\n0.146670 0.613003 0.613003 O\n0.613003 0.613003 0.146670 O\n0.613003 0.146670 0.613003 O\n0.218331 0.692792 0.218330 O\n0.781670 0.781670 0.307208 O\n0.692792 0.218331 0.218330 O\n0.307208 0.781669 0.781670 O\n0.386997 0.386997 0.853332 O\n0.781669 0.307208 0.781670 O\n0.218330 0.218330 0.692794 O\n0.386997 0.853329 0.386999 O\n",
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{
"id": "jvasp-46362",
"created_at": "2022-09-04T14:38:02.712189Z",
"updated_at": "2022-09-04T14:38:02.712218Z",
"structure_string": "Mg4 Co4 O12\n1.0\n0.000000 5.121338 -0.000687\n4.883812 0.000000 0.000000\n0.000000 -0.000933 -7.158146\nMg Co O\n4 4 12\ndirect\n0.928180 0.020004 0.250001 Mg\n0.428180 0.479996 0.250001 Mg\n0.571821 0.520004 0.750000 Mg\n0.071821 0.979996 0.750000 Mg\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.808034 0.815035 0.933225 O\n0.308035 0.684964 0.566775 O\n0.308034 0.684965 0.933225 O\n0.053955 0.630204 0.250000 O\n0.946046 0.369796 0.750001 O\n0.191966 0.184964 0.433226 O\n0.691966 0.315036 0.433226 O\n0.191967 0.184965 0.066776 O\n0.808035 0.815036 0.566775 O\n0.446046 0.130204 0.750001 O\n0.691967 0.315035 0.066776 O\n0.553955 0.869795 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:38:12.922807Z",
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"structure_string": "Si4 P4 N12\n1.0\n9.414767 0.008066 0.013798\n0.004187 5.300650 -0.049043\n0.004187 -2.643470 4.594710\nSi P N\n4 4 12\ndirect\n0.750876 0.326839 0.006205 Si\n0.250876 0.006205 0.326838 Si\n0.002618 0.997558 0.680756 Si\n0.502618 0.680756 0.997558 Si\n0.748752 0.989310 0.326779 P\n0.497291 0.004599 0.662377 P\n0.248752 0.326778 0.989309 P\n0.997291 0.662378 0.004600 P\n0.966685 0.750513 0.773773 N\n0.921635 0.898636 0.338960 N\n0.177869 0.094554 0.665383 N\n0.677869 0.665384 0.094554 N\n0.671898 0.085110 0.656746 N\n0.466684 0.773773 0.750512 N\n0.428320 0.922124 0.340994 N\n0.421635 0.338960 0.898635 N\n0.217762 0.250285 0.228516 N\n0.171897 0.656746 0.085109 N\n0.717762 0.228517 0.250285 N\n0.928320 0.340995 0.922124 N\n",
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{
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"created_at": "2022-09-04T14:38:05.063390Z",
"updated_at": "2022-09-04T14:38:05.063411Z",
"structure_string": "Li4 Ca4 Al4 N8\n1.0\n0.000000 5.775238 -0.007065\n6.862633 0.000000 0.000000\n0.000000 -0.019677 -5.804997\nLi Ca Al N\n4 4 4 8\ndirect\n0.366678 0.598381 0.909159 Li\n0.633321 0.098381 0.590841 Li\n0.633322 0.401619 0.090841 Li\n0.366678 0.901619 0.409159 Li\n0.027995 0.871184 0.741138 Ca\n0.972005 0.371185 0.758862 Ca\n0.972005 0.128815 0.258862 Ca\n0.027995 0.628815 0.241137 Ca\n0.620752 0.859782 0.074650 Al\n0.379248 0.359782 0.425349 Al\n0.379248 0.140217 0.925349 Al\n0.620752 0.640217 0.574651 Al\n0.268569 0.145528 0.605862 N\n0.731430 0.645528 0.894138 N\n0.731431 0.854471 0.394138 N\n0.268570 0.354471 0.105862 N\n0.287574 0.606967 0.566794 N\n0.712425 0.106967 0.933206 N\n0.712425 0.393033 0.433206 N\n0.287575 0.893033 0.066793 N\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:38:13.592047Z",
"updated_at": "2022-09-04T14:38:13.592081Z",
"structure_string": "Pr8 C12\n1.0\n7.104836 -0.000000 -2.511939\n-3.552418 6.152968 -2.511939\n0.000000 0.000000 7.535817\nPr C\n8 12\ndirect\n0.604511 0.604511 0.604511 Pr\n0.500000 0.000000 0.395490 Pr\n-0.000000 0.395490 0.500000 Pr\n0.500000 -0.000000 0.895490 Pr\n-0.000000 0.895490 0.500000 Pr\n0.895490 0.500000 -0.000000 Pr\n0.104510 0.104510 0.104510 Pr\n0.395490 0.500000 -0.000000 Pr\n0.750000 0.799144 0.049143 C\n0.750000 0.950857 0.200856 C\n0.250000 0.549144 0.299144 C\n0.200857 0.750000 0.950857 C\n0.950857 0.200857 0.750000 C\n0.250000 0.700857 0.450857 C\n0.700857 0.450857 0.250000 C\n0.799144 0.049144 0.750000 C\n0.049143 0.750000 0.799144 C\n0.450857 0.250000 0.700857 C\n0.549144 0.299144 0.250000 C\n0.299144 0.250000 0.549144 C\n",
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{
"id": "jvasp-30257",
"created_at": "2022-09-04T14:38:07.022414Z",
"updated_at": "2022-09-04T14:38:07.022439Z",
"structure_string": "V4 O4 F12\n1.0\n5.625160 0.000000 0.000000\n0.000000 5.622195 0.000000\n0.000000 0.000000 8.045094\nV O F\n4 4 12\ndirect\n0.483553 0.330404 0.250017 V\n0.483553 0.669597 0.750017 V\n0.983553 0.830405 0.249982 V\n0.983553 0.169596 0.749982 V\n0.270020 0.480571 0.750025 O\n0.270020 0.519430 0.250025 O\n0.770020 0.019429 0.249975 O\n0.770020 0.980571 0.749974 O\n0.743475 0.475742 0.750117 F\n0.743475 0.524259 0.250117 F\n0.499869 0.756132 0.960478 F\n0.499869 0.243869 0.460478 F\n0.500045 0.755868 0.539511 F\n0.999869 0.256132 0.539521 F\n0.243475 0.975742 0.749882 F\n0.243475 0.024259 0.249882 F\n0.000045 0.255867 0.960488 F\n0.999869 0.743869 0.039521 F\n0.500045 0.244133 0.039511 F\n0.000045 0.744134 0.460488 F\n",
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{
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"created_at": "2022-09-04T14:38:10.313713Z",
"updated_at": "2022-09-04T14:38:10.313742Z",
"structure_string": "Sr5 Bi3 O12\n1.0\n6.003604 -0.004795 0.004905\n0.004017 6.201581 -0.010467\n0.028853 0.065077 8.566201\nSr Bi O\n5 3 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.983404 0.445644 0.241883 Sr\n0.512755 0.948963 0.244299 Sr\n0.487244 0.051036 0.755702 Sr\n0.016596 0.554356 0.758117 Sr\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n-0.000000 0.000000 0.500000 Bi\n0.208860 0.323538 0.952415 O\n0.289773 0.792232 0.561105 O\n0.328527 0.788489 0.946655 O\n0.389274 0.546972 0.250567 O\n0.610725 0.453028 0.749433 O\n0.795252 0.715094 0.431470 O\n0.710227 0.207768 0.438895 O\n0.791139 0.676461 0.047585 O\n0.204747 0.284905 0.568531 O\n0.887895 0.951758 0.729558 O\n0.671472 0.211511 0.053345 O\n0.112104 0.048242 0.270442 O\n",
"nsites": 20,
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{
"id": "jvasp-32302",
"created_at": "2022-09-04T14:38:14.711943Z",
"updated_at": "2022-09-04T14:38:14.711962Z",
"structure_string": "Mg4 In4 Br12\n1.0\n3.969774 -0.000000 0.000000\n-0.000000 9.429380 0.000000\n0.000000 0.000000 15.307572\nMg In Br\n4 4 12\ndirect\n0.250000 0.662058 0.055423 Mg\n0.749999 0.337942 0.944577 Mg\n0.250000 0.162058 0.444577 Mg\n0.749999 0.837942 0.555423 Mg\n0.749999 0.046220 0.176278 In\n0.250000 0.953780 0.823722 In\n0.250000 0.453780 0.676278 In\n0.749999 0.546220 0.323722 In\n0.749999 0.327242 0.502788 Br\n0.749999 0.476232 0.101368 Br\n0.749999 0.827242 0.997211 Br\n0.250000 0.172758 0.002788 Br\n0.749999 0.724253 0.710617 Br\n0.250000 0.275747 0.289383 Br\n0.749999 0.224253 0.789383 Br\n0.250000 0.775747 0.210617 Br\n0.250000 0.023768 0.601368 Br\n0.749999 0.976232 0.398632 Br\n0.250000 0.523768 0.898632 Br\n0.250000 0.672758 0.497212 Br\n",
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{
"id": "jvasp-38138",
"created_at": "2022-09-04T14:38:05.167832Z",
"updated_at": "2022-09-04T14:38:05.167855Z",
"structure_string": "Ca4 Re4 N12\n1.0\n-3.078018 5.165935 -1.625504\n0.072911 -0.008206 -7.324004\n-5.199470 -5.093293 0.818715\nCa Re N\n4 4 12\ndirect\n0.750001 0.915363 0.915364 Ca\n0.750001 0.304464 0.304465 Ca\n0.250000 0.084635 0.084636 Ca\n0.250000 0.695534 0.695535 Ca\n0.261900 0.619243 0.200119 Re\n0.238100 0.200119 0.619244 Re\n0.738100 0.380755 0.799881 Re\n0.761901 0.799880 0.380757 Re\n0.539065 0.656445 0.361117 N\n0.338364 0.384523 0.112158 N\n0.658838 0.992647 0.229035 N\n0.161637 0.112157 0.384523 N\n0.838364 0.887841 0.615477 N\n0.341163 0.007352 0.770965 N\n0.841163 0.229033 0.992647 N\n0.158837 0.770965 0.007353 N\n0.661637 0.615475 0.887842 N\n0.960936 0.361115 0.656446 N\n0.039065 0.638883 0.343554 N\n0.460936 0.343553 0.638883 N\n",
"nsites": 20,
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"volume": 311.92918464388856,
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{
"id": "jvasp-58842",
"created_at": "2022-09-04T14:38:13.553542Z",
"updated_at": "2022-09-04T14:38:13.553559Z",
"structure_string": "Tl4 Cd4 Cl12\n1.0\n4.000012 0.000000 0.000000\n-0.000000 8.917183 0.000000\n0.000000 0.000000 14.852913\nTl Cd Cl\n4 4 12\ndirect\n0.250000 0.929397 0.323815 Tl\n0.750000 0.070602 0.676184 Tl\n0.250000 0.429398 0.176184 Tl\n0.750000 0.570602 0.823815 Tl\n0.250000 0.668536 0.557113 Cd\n0.750000 0.331464 0.442886 Cd\n0.250000 0.168536 0.942886 Cd\n0.750000 0.831464 0.057114 Cd\n0.250000 0.291007 0.787254 Cl\n0.750000 0.708993 0.212746 Cl\n0.750000 0.834759 0.494907 Cl\n0.250000 0.165240 0.505093 Cl\n0.750000 0.334760 0.005093 Cl\n0.750000 0.474976 0.602887 Cl\n0.750000 0.974976 0.897112 Cl\n0.250000 0.025024 0.102887 Cl\n0.750000 0.208993 0.287254 Cl\n0.250000 0.525024 0.397113 Cl\n0.250000 0.665240 0.994907 Cl\n0.250000 0.791006 0.712746 Cl\n",
"nsites": 20,
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"elements": [
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],
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}
]
}