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{
"id": "jvasp-28559",
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{
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"structure_string": "Li4 Fe4 O2 F8\n1.0\n2.860657 0.000000 0.000000\n-1.430329 4.863668 0.000000\n0.000000 0.000000 12.762734\nLi Fe O F\n4 4 2 8\ndirect\n0.225100 0.450200 0.888174 Li\n0.774901 0.549801 0.388175 Li\n0.488811 0.977620 0.992314 Li\n0.511190 0.022380 0.492314 Li\n0.037829 0.075658 0.257992 Fe\n0.249404 0.498807 0.616536 Fe\n0.962172 0.924343 0.757992 Fe\n0.750597 0.501193 0.116536 Fe\n0.675929 0.351856 0.254233 O\n0.324072 0.648145 0.754233 O\n0.127177 0.254353 0.028431 F\n0.151318 0.302638 0.465949 F\n0.421562 0.843124 0.143613 F\n0.420727 0.841453 0.352755 F\n0.578439 0.156877 0.643613 F\n0.872824 0.745647 0.528431 F\n0.579274 0.158548 0.852755 F\n0.848683 0.697363 0.965949 F\n",
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"structure_string": "Na2 Zr1 Cu2 S4\n1.0\n3.600924 -0.000000 -0.980848\n-0.707711 6.517183 -2.598173\n0.003214 0.002385 7.112143\nNa Zr Cu S\n2 1 2 4\ndirect\n0.137208 0.559610 0.274417 Na\n0.862790 0.440389 0.725582 Na\n0.000000 0.000000 0.000000 Zr\n0.679287 0.989006 0.358575 Cu\n0.320711 0.010992 0.641424 Cu\n0.204422 0.205949 0.408846 S\n0.795576 0.794050 0.591153 S\n0.509841 0.749968 0.019682 S\n0.490157 0.250031 0.980317 S\n",
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{
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"structure_string": "Pb4 S2 O8 F4\n1.0\n4.452692 0.000000 0.000000\n-2.226347 6.854102 -2.177564\n-0.000000 -0.059901 8.663834\nPb S O F\n4 2 8 4\ndirect\n0.639989 0.308981 0.075897 Pb\n0.360010 0.691019 0.924103 Pb\n0.331008 0.691019 0.424103 Pb\n0.668991 0.308981 0.575897 Pb\n0.043940 0.000000 0.250000 S\n0.956060 0.000000 0.750000 S\n0.245234 0.007859 0.391799 O\n0.237374 0.992141 0.108201 O\n0.948863 0.179799 0.289987 O\n0.769063 0.820201 0.210013 O\n0.762625 0.007859 0.891798 O\n0.754765 0.992141 0.608201 O\n0.230936 0.179799 0.789987 O\n0.051136 0.820201 0.710013 O\n0.217124 0.492315 0.121338 F\n0.782875 0.507685 0.878662 F\n0.275190 0.492315 0.621338 F\n0.724809 0.507685 0.378662 F\n",
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"created_at": "2022-09-04T14:36:34.256833Z",
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"structure_string": "Te4 Mo2 W1 Se2\n1.0\n3.485898 0.000000 0.000000\n-1.742949 3.018892 0.000010\n0.000000 0.000095 30.297479\nTe Mo W Se\n4 2 1 2\ndirect\n0.333305 0.666611 0.403602 Te\n0.666674 0.333346 0.519937 Te\n0.666664 0.333326 0.641529 Te\n0.333310 0.666621 0.281385 Te\n0.333334 0.666668 0.117675 Mo\n0.333334 0.666667 0.580787 Mo\n0.666644 0.333287 0.342487 W\n0.666668 0.333335 0.064180 Se\n0.666671 0.333341 0.171262 Se\n",
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{
"id": "jvasp-28469",
"created_at": "2022-09-04T14:36:34.898878Z",
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"structure_string": "Te4 Mo2 W1 Se2\n1.0\n3.488912 0.000000 0.000000\n-1.744456 3.018151 0.141786\n0.000000 1.043684 20.988232\nTe Mo W Se\n4 2 1 2\ndirect\n0.804462 0.608926 0.933232 Te\n0.587545 0.175091 0.584307 Te\n0.745339 0.490679 0.109331 Te\n0.528123 0.056247 0.761205 Te\n0.441567 0.883137 0.021297 Mo\n0.667246 0.334494 0.346894 Mo\n0.224480 0.448961 0.672800 W\n0.307864 0.615732 0.424453 Se\n0.359962 0.719926 0.269325 Se\n",
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{
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"created_at": "2022-09-04T14:36:38.855926Z",
"updated_at": "2022-09-04T14:36:38.855947Z",
"structure_string": "H8 C4 S2 N4\n1.0\n5.048797 -0.069383 -0.921220\n-1.346798 5.866082 -1.274410\n-0.072442 0.107137 6.150813\nH C S N\n8 4 2 4\ndirect\n0.037099 0.152887 0.047535 H\n0.037756 0.653033 0.547681 H\n0.751056 0.238413 0.133006 H\n0.751330 0.738196 0.632787 H\n0.282695 0.551754 0.164205 H\n0.282770 0.051950 0.664306 H\n0.282762 0.769659 0.946639 H\n0.282689 0.269557 0.446444 H\n0.927184 0.083447 0.478090 C\n0.927183 0.583468 0.978069 C\n0.973601 0.275426 0.170054 C\n0.973894 0.775430 0.670061 C\n0.584969 0.485617 0.880100 S\n0.584968 0.985525 0.380191 S\n0.074626 0.748484 0.899484 N\n0.074559 0.504772 0.143067 N\n0.074636 0.004833 0.643119 N\n0.074550 0.248433 0.399421 N\n",
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"structure_string": "Co1 H4 Br2 O2\n1.0\n3.739447 0.046836 -0.368942\n-0.652215 5.628243 -0.759588\n0.056100 0.039198 5.716593\nCo H Br O\n1 4 2 2\ndirect\n-0.000000 0.000000 -0.000000 Co\n0.845861 0.214958 0.614869 H\n0.154119 0.385187 0.785102 H\n0.845884 0.614814 0.214898 H\n0.154141 0.785042 0.385131 H\n0.437900 0.756289 0.756250 Br\n0.562102 0.243712 0.243750 Br\n0.000046 0.767045 0.232871 O\n-0.000047 0.232954 0.767128 O\n",
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"created_at": "2022-09-04T14:36:37.900046Z",
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