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{
"id": "jvasp-10136",
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{
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{
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"structure_string": "Na8 Si8 S20\n1.0\n8.960593 0.051019 -0.000000\n0.023503 8.960708 -0.000000\n0.000000 -0.000000 10.374666\nNa Si S\n8 8 20\ndirect\n0.914261 0.416470 0.750000 Na\n0.849314 0.849315 0.500000 Na\n0.849314 0.849315 0.000000 Na\n0.150685 0.150685 0.500000 Na\n0.583530 0.085739 0.750000 Na\n0.416469 0.914262 0.250000 Na\n0.085738 0.583531 0.250000 Na\n0.150685 0.150685 0.000000 Na\n0.254212 0.745788 0.917957 Si\n0.315508 0.412275 0.750000 Si\n0.745787 0.254212 0.417957 Si\n0.745787 0.254212 0.082044 Si\n0.587725 0.684492 0.750000 Si\n0.412275 0.315509 0.250000 Si\n0.684491 0.587725 0.250000 Si\n0.254212 0.745788 0.582044 Si\n0.725157 0.813663 0.250000 S\n0.447558 0.552442 0.250000 S\n0.492576 0.789636 0.920455 S\n0.507423 0.210365 0.420455 S\n0.789635 0.492577 0.079545 S\n0.210364 0.507424 0.579546 S\n0.507423 0.210365 0.079545 S\n0.274843 0.186337 0.750000 S\n0.186337 0.274843 0.250000 S\n0.789635 0.492577 0.420455 S\n0.158138 0.841862 0.419914 S\n0.841862 0.158138 0.919914 S\n0.841862 0.158138 0.580087 S\n0.158138 0.841862 0.080087 S\n0.845451 0.154549 0.250000 S\n0.210364 0.507424 0.920455 S\n0.552441 0.447559 0.750000 S\n0.492576 0.789636 0.579546 S\n0.813663 0.725158 0.750000 S\n0.154549 0.845451 0.750000 S\n",
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{
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"created_at": "2022-09-04T14:35:48.864210Z",
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"structure_string": "Zn2 Ga2 S5\n1.0\n-1.869664 3.238352 -0.000000\n-3.739327 -0.000000 -0.000000\n-1.869664 1.079451 15.034906\nZn Ga S\n2 2 5\ndirect\n0.311441 0.311441 0.065678 Zn\n0.482475 0.482475 0.552574 Zn\n0.896435 0.896435 0.310695 Ga\n0.076343 0.076342 0.770972 Ga\n0.995010 0.995011 0.014967 S\n0.532332 0.532332 0.403003 S\n0.389788 0.389788 0.830634 S\n0.256390 0.256390 0.230828 S\n0.127783 0.127783 0.616649 S\n",
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{
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"updated_at": "2022-09-04T14:37:54.182366Z",
"structure_string": "Ba2 Sc2 O5\n1.0\n4.168528 0.000000 -0.000000\n0.000000 4.168528 0.000000\n0.000000 -0.000000 8.269364\nBa Sc O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.261133 Sc\n0.500000 0.500000 0.738867 Sc\n0.500000 0.000000 0.221460 O\n0.500000 0.000000 0.778540 O\n0.000000 0.500000 0.221460 O\n0.000000 0.500000 0.778540 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-15227",
"created_at": "2022-09-04T14:36:15.521495Z",
"updated_at": "2022-09-04T14:36:15.521522Z",
"structure_string": "Ge2 Sb2 Te5\n1.0\n2.138916 -3.704710 0.000000\n2.138916 3.704710 0.000000\n-0.000000 -0.000000 17.783029\nGe Sb Te\n2 2 5\ndirect\n0.000000 0.000000 0.661775 Ge\n0.000000 0.000000 0.338225 Ge\n0.666668 0.333334 0.885926 Sb\n0.333334 0.666668 0.114074 Sb\n0.000000 0.000000 0.000000 Te\n0.666668 0.333334 0.212600 Te\n0.333334 0.666668 0.787400 Te\n0.666668 0.333334 0.582019 Te\n0.333334 0.666668 0.417982 Te\n",
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{
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"created_at": "2022-09-04T14:38:15.886417Z",
"updated_at": "2022-09-04T14:38:15.886447Z",
"structure_string": "Ca8 B8 O20\n1.0\n0.000000 7.193193 0.066067\n5.204576 0.000000 0.000000\n0.000000 -0.604763 -11.527511\nCa B O\n8 8 20\ndirect\n0.381178 0.563307 0.632637 Ca\n0.618822 0.063306 0.867363 Ca\n0.618822 0.436694 0.367363 Ca\n0.381178 0.936695 0.132637 Ca\n0.875645 0.600851 0.665290 Ca\n0.124355 0.100851 0.834710 Ca\n0.124355 0.399149 0.334710 Ca\n0.875645 0.899150 0.165290 Ca\n0.845031 0.923028 0.404644 B\n0.154968 0.423028 0.095356 B\n0.154968 0.076973 0.595356 B\n0.845032 0.576973 0.904644 B\n0.337914 0.561900 0.910984 B\n0.337914 0.938101 0.410984 B\n0.662086 0.438101 0.089016 B\n0.662086 0.061900 0.589015 B\n0.409341 0.418745 0.825008 O\n0.145436 0.645379 0.156370 O\n0.854563 0.145378 0.343629 O\n0.106147 0.306192 0.641841 O\n0.893853 0.806192 0.858159 O\n0.893853 0.693809 0.358159 O\n0.106147 0.193809 0.141841 O\n0.590659 0.918746 0.674991 O\n0.409341 0.081255 0.325008 O\n0.230322 0.406081 0.985026 O\n0.643591 0.320514 0.571605 O\n0.356409 0.820515 0.928394 O\n0.356409 0.679486 0.428394 O\n0.643591 0.179486 0.071605 O\n0.769678 0.593920 0.014973 O\n0.230321 0.093919 0.485027 O\n0.145437 0.854622 0.656370 O\n0.769678 0.906081 0.514973 O\n0.590659 0.581255 0.174991 O\n0.854563 0.354622 0.843629 O\n",
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{
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"created_at": "2022-09-04T14:36:08.310065Z",
"updated_at": "2022-09-04T14:36:08.310081Z",
"structure_string": "Ce4 Zn4 Cu10\n1.0\n5.071037 -0.024000 11.957633\n2.411350 4.461096 11.957633\n-0.040471 -0.024000 12.988410\nCe Zn Cu\n4 4 10\ndirect\n0.945238 0.945238 0.945236 Ce\n0.152983 0.152983 0.152983 Ce\n0.847017 0.847017 0.847015 Ce\n0.054762 0.054762 0.054762 Ce\n0.500000 -0.000000 0.500000 Zn\n0.500000 0.500000 0.499999 Zn\n0.500000 0.500000 -0.000001 Zn\n-0.000000 0.500000 0.500000 Zn\n0.388439 0.388439 0.388438 Cu\n0.110589 0.608469 0.608468 Cu\n0.391531 0.889412 0.391530 Cu\n0.391531 0.391531 0.889411 Cu\n0.608469 0.110589 0.608468 Cu\n0.608469 0.608469 0.110588 Cu\n0.889412 0.391531 0.391530 Cu\n0.722725 0.722725 0.722723 Cu\n0.277276 0.277276 0.277275 Cu\n0.611561 0.611561 0.611560 Cu\n",
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{
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"structure_string": "Er10 Ni4 Te4\n1.0\n3.950040 0.000000 0.000000\n-1.975020 7.420879 -0.000000\n0.000000 -0.000000 14.794087\nEr Ni Te\n10 4 4\ndirect\n0.961035 0.922070 0.873341 Er\n0.961035 0.922070 0.626659 Er\n0.260619 0.521239 0.869398 Er\n0.739381 0.478762 0.130603 Er\n0.739381 0.478762 0.369397 Er\n0.392137 0.784274 0.250000 Er\n0.038965 0.077930 0.373341 Er\n0.260619 0.521239 0.630603 Er\n0.038965 0.077930 0.126659 Er\n0.607863 0.215726 0.750000 Er\n0.582820 0.165639 0.250000 Ni\n0.812286 0.624573 0.750000 Ni\n0.417180 0.834361 0.750000 Ni\n0.187714 0.375427 0.250000 Ni\n0.617132 0.234266 0.960774 Te\n0.617132 0.234266 0.539226 Te\n0.382868 0.765734 0.460774 Te\n0.382868 0.765734 0.039226 Te\n",
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"created_at": "2022-09-04T14:37:48.709437Z",
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"structure_string": "Tl8 Ge8 S20\n1.0\n8.617555 -0.011709 -1.829353\n-2.247122 10.477371 0.004180\n0.012512 0.016497 10.715617\nTl Ge S\n8 8 20\ndirect\n0.104477 0.460080 0.201603 Tl\n0.893086 0.926410 0.796328 Tl\n0.606915 0.203672 0.073591 Tl\n0.106915 0.073591 0.203673 Tl\n0.395523 0.798397 0.539920 Tl\n0.604478 0.201603 0.460081 Tl\n0.895523 0.539920 0.798397 Tl\n0.393085 0.796328 0.926410 Tl\n0.588240 0.520459 0.265405 Ge\n0.411760 0.479541 0.734596 Ge\n0.088240 0.265404 0.520459 Ge\n0.112173 0.270023 0.867084 Ge\n0.387827 0.132916 0.729977 Ge\n0.887828 0.729977 0.132916 Ge\n0.612173 0.867084 0.270023 Ge\n0.911761 0.734596 0.479542 Ge\n0.272691 0.466205 0.894054 S\n0.227309 0.105946 0.533796 S\n0.250000 0.462062 0.537939 S\n0.557202 0.326444 0.759548 S\n0.750000 0.537939 0.462062 S\n0.250000 0.109355 0.890646 S\n0.750001 0.890645 0.109355 S\n0.543193 0.999134 0.757051 S\n0.956808 0.242949 0.000866 S\n0.456808 0.000866 0.242950 S\n0.727310 0.533795 0.105946 S\n0.043192 0.757051 0.999134 S\n0.573441 0.665329 0.760335 S\n0.073441 0.760334 0.665329 S\n0.426559 0.334671 0.239666 S\n0.057202 0.759548 0.326444 S\n0.442799 0.673556 0.240452 S\n0.942799 0.240452 0.673557 S\n0.926560 0.239666 0.334672 S\n0.772691 0.894054 0.466205 S\n",
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"created_at": "2022-09-04T14:37:19.190960Z",
"updated_at": "2022-09-04T14:37:19.190970Z",
"structure_string": "Ca4 Mn4 O10\n1.0\n3.807996 0.000000 0.000000\n0.000000 5.409685 0.000000\n0.000000 -0.000000 10.191991\nCa Mn O\n4 4 10\ndirect\n0.500001 0.188963 0.867210 Ca\n0.500001 0.811038 0.132790 Ca\n0.500001 0.688963 0.632790 Ca\n0.500001 0.311038 0.367210 Ca\n0.000000 0.216994 0.619219 Mn\n0.000000 0.783007 0.380781 Mn\n0.000000 0.283007 0.119219 Mn\n0.000000 0.716994 0.880781 Mn\n0.500001 0.207151 0.601703 O\n0.000000 0.917630 0.714318 O\n0.500001 0.707151 0.898297 O\n0.500001 0.292850 0.101703 O\n0.000000 0.500000 0.500000 O\n0.000000 0.582372 0.214318 O\n0.000000 0.082371 0.285682 O\n0.000000 0.000000 0.000000 O\n0.000000 0.417629 0.785682 O\n0.500001 0.792850 0.398297 O\n",
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{
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"updated_at": "2022-09-04T14:37:01.134132Z",
"structure_string": "Li4 B4 Se10\n1.0\n5.155472 -0.000000 1.172849\n2.462074 5.341732 1.094837\n-0.040563 0.056532 12.095642\nLi B Se\n4 4 10\ndirect\n0.856541 0.315707 0.931702 Li\n0.103951 0.184292 0.568298 Li\n0.143458 0.684292 0.068298 Li\n0.896048 0.815707 0.431703 Li\n0.307414 0.574117 0.707381 B\n0.588913 0.925882 0.792619 B\n0.692586 0.425882 0.292619 B\n0.411087 0.074118 0.207381 B\n0.733471 0.928889 0.939009 Se\n0.601369 0.571110 0.560991 Se\n0.076010 0.149080 0.340686 Se\n0.565775 0.350920 0.159314 Se\n0.758818 0.750000 0.250000 Se\n0.434224 0.649079 0.840686 Se\n0.241182 0.250000 0.750000 Se\n0.398630 0.428889 0.439009 Se\n0.923990 0.850919 0.659314 Se\n0.266529 0.071110 0.060991 Se\n",
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}