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{
"id": "jvasp-10877",
"created_at": "2022-09-04T14:37:15.808762Z",
"updated_at": "2022-09-04T14:37:15.808786Z",
"structure_string": "Ba4 Ge2 Se8\n1.0\n0.000000 7.097853 0.045375\n7.112894 0.000000 0.000000\n0.000000 -2.947405 -8.719041\nBa Ge Se\n4 2 8\ndirect\n0.717434 0.250000 0.924262 Ba\n0.282566 0.750000 0.075738 Ba\n0.782579 0.250000 0.451370 Ba\n0.217421 0.750000 0.548630 Ba\n0.792480 0.750000 0.709905 Ge\n0.207520 0.250000 0.290095 Ge\n0.011619 0.011098 0.771903 Se\n0.988381 0.511097 0.228097 Se\n0.988381 0.988902 0.228097 Se\n0.011619 0.488902 0.771903 Se\n0.627913 0.750000 0.437158 Se\n0.372087 0.250000 0.562841 Se\n0.588869 0.750000 0.871765 Se\n0.411131 0.250000 0.128235 Se\n",
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{
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"structure_string": "Mg4 Co2 Sb2 O12\n1.0\n0.000000 5.041459 -0.019794\n7.575420 0.000000 0.000000\n0.000000 -0.047932 -5.274059\nMg Co Sb O\n4 2 2 12\ndirect\n0.478588 0.750000 0.419203 Mg\n0.521413 0.250000 0.580796 Mg\n0.019400 0.750000 0.950798 Mg\n-0.019400 0.250000 0.049202 Mg\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.319963 0.573025 0.693051 O\n0.635575 0.750000 0.064658 O\n0.680037 0.073025 0.306949 O\n0.139739 0.250000 0.433138 O\n0.191621 0.926733 0.189502 O\n0.808380 0.073267 0.810498 O\n0.191621 0.573267 0.189502 O\n0.319963 0.926975 0.693051 O\n0.860262 0.750000 0.566862 O\n0.680037 0.426975 0.306949 O\n0.808380 0.426733 0.810498 O\n0.364426 0.250000 0.935341 O\n",
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{
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"updated_at": "2022-09-04T14:37:16.473994Z",
"structure_string": "Zr4 I8\n1.0\n3.773247 0.000000 0.000000\n0.000000 6.848319 -0.674144\n0.000000 0.010402 15.059258\nZr I\n4 8\ndirect\n0.250000 0.687365 0.996748 Zr\n0.250000 0.188692 0.503665 Zr\n0.750001 0.312635 0.003253 Zr\n0.750001 0.811308 0.496336 Zr\n0.250000 0.602920 0.609687 I\n0.750001 0.397080 0.390313 I\n0.750001 0.551217 0.852990 I\n0.750001 0.944816 0.109782 I\n0.250000 0.448783 0.147011 I\n0.750001 0.111572 0.647105 I\n0.250000 0.055184 0.890219 I\n0.250000 0.888428 0.352896 I\n",
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{
"id": "jvasp-58514",
"created_at": "2022-09-04T14:37:17.079142Z",
"updated_at": "2022-09-04T14:37:17.079166Z",
"structure_string": "Mg2 Bi2 P2 O12\n1.0\n0.000000 6.233951 0.149378\n5.206130 0.000000 0.000000\n0.000000 -2.849038 -7.369461\nMg Bi P O\n2 2 2 12\ndirect\n0.878826 0.250000 0.082847 Mg\n0.121173 0.750000 0.917153 Mg\n0.765741 0.750000 0.440843 Bi\n0.234258 0.250000 0.559156 Bi\n0.384502 0.250000 0.177928 P\n0.615497 0.750000 0.822071 P\n0.488339 0.750000 0.608786 O\n0.220000 0.016155 0.119597 O\n0.983197 0.476358 0.328553 O\n0.983197 0.023642 0.328553 O\n0.511660 0.250000 0.391213 O\n0.559111 0.250000 0.087699 O\n0.440888 0.750000 0.912301 O\n0.780000 0.983845 0.880402 O\n0.780000 0.516155 0.880402 O\n0.016802 0.976358 0.671447 O\n0.016802 0.523642 0.671447 O\n0.220000 0.483845 0.119597 O\n",
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{
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"created_at": "2022-09-04T14:37:17.163725Z",
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"structure_string": "Rb2 S2 O4 F2\n1.0\n0.000000 4.812394 -0.079858\n5.835008 0.000000 0.000000\n0.000000 -2.112173 -6.675416\nRb S O F\n2 2 4 2\ndirect\n0.840307 0.750000 0.718126 Rb\n0.159693 0.250000 0.281875 Rb\n0.600988 0.750000 0.176525 S\n0.399012 0.250000 0.823476 S\n0.669326 0.541329 0.298926 O\n0.330674 0.041329 0.701075 O\n0.330674 0.458671 0.701075 O\n0.669326 0.958672 0.298926 O\n0.802418 0.250000 0.869947 F\n0.197582 0.750000 0.130054 F\n",
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{
"id": "jvasp-10915",
"created_at": "2022-09-04T14:37:17.187782Z",
"updated_at": "2022-09-04T14:37:17.187804Z",
"structure_string": "Mg2 Bi2 As2 O12\n1.0\n0.000000 6.331666 0.585844\n5.675854 0.000000 0.000000\n0.000000 -2.925505 -6.924716\nMg Bi As O\n2 2 2 12\ndirect\n0.138560 0.750000 0.945325 Mg\n0.861440 0.250000 0.054676 Mg\n0.217895 0.250000 0.579570 Bi\n0.782105 0.750000 0.420432 Bi\n0.401313 0.250000 0.146111 As\n0.598687 0.750000 0.853890 As\n0.768734 0.517637 0.850053 O\n0.062747 0.525657 0.697322 O\n0.514635 0.750000 0.039266 O\n0.937253 0.474343 0.302679 O\n0.062747 0.974342 0.697322 O\n0.937253 0.025657 0.302679 O\n0.485366 0.250000 -0.039265 O\n0.231266 0.017637 0.149948 O\n0.666978 0.250000 0.378627 O\n0.768734 -0.017637 0.850053 O\n0.231266 0.482363 0.149948 O\n0.333022 0.750000 0.621375 O\n",
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"density_atomic": 0.07527287404223096,
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{
"id": "jvasp-11521",
"created_at": "2022-09-04T14:37:17.498961Z",
"updated_at": "2022-09-04T14:37:17.498983Z",
"structure_string": "Mg4 Co4 O8\n1.0\n-2.969280 0.001609 0.006078\n-0.004284 -7.430547 -0.042433\n0.015871 2.458105 6.868848\nMg Co O\n4 4 8\ndirect\n0.759087 0.797932 0.939887 Mg\n0.259024 0.176374 0.079283 Mg\n0.259097 0.928980 0.318106 Mg\n0.759021 0.045332 0.701067 Mg\n0.258871 0.419694 0.821462 Co\n0.258961 0.667013 0.548810 Co\n0.759151 0.307298 0.470362 Co\n0.759239 0.554615 0.197709 Co\n0.259135 0.416496 0.320790 O\n0.259047 0.166010 0.575908 O\n0.759065 0.808302 0.443264 O\n0.758967 0.557814 0.698382 O\n0.758956 0.294678 0.949646 O\n0.259038 0.926162 0.822928 O\n0.259151 0.679630 0.069526 O\n0.759071 0.048147 0.196245 O\n",
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{
"id": "jvasp-40127",
"created_at": "2022-09-04T14:37:17.620487Z",
"updated_at": "2022-09-04T14:37:17.620519Z",
"structure_string": "Ba4 Y2 B4 Cl2 O12\n1.0\n0.000000 6.467086 0.040412\n5.345205 0.000000 0.000000\n0.000000 -1.222380 -11.251748\nBa Y B Cl O\n4 2 4 2 12\ndirect\n0.092246 0.750001 0.705861 Ba\n0.907755 0.250000 0.294139 Ba\n0.340720 0.750001 0.073961 Ba\n0.659280 0.250000 0.926040 Ba\n0.346771 0.750001 0.413422 Y\n0.653230 0.250000 0.586578 Y\n0.376646 0.250000 0.225984 B\n0.623355 0.750001 0.774016 B\n0.789386 0.750001 0.427032 B\n0.210614 0.250000 0.572969 B\n0.149324 0.250000 0.913206 Cl\n0.850676 0.750001 0.086794 Cl\n0.524449 0.250000 0.146945 O\n0.291631 0.471748 0.262726 O\n0.708369 0.971748 0.737274 O\n0.708369 0.528253 0.737274 O\n0.291631 0.028253 0.262726 O\n0.675045 0.530824 0.434626 O\n0.324955 0.030824 0.565374 O\n0.324955 0.469177 0.565374 O\n0.675045 0.969177 0.434626 O\n0.992221 0.750001 0.406118 O\n0.007780 0.250000 0.593882 O\n0.475552 0.750001 0.853055 O\n",
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{
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"created_at": "2022-09-04T14:37:18.796585Z",
"updated_at": "2022-09-04T14:37:18.796605Z",
"structure_string": "Ti2 Ni2\n1.0\n-4.813844 0.000000 -0.307182\n-0.544370 0.000000 -2.889830\n0.000000 -3.998325 0.000000\nTi Ni\n2 2\ndirect\n0.714626 0.626800 0.749999 Ti\n0.285374 0.373200 0.250000 Ti\n0.827468 0.074721 0.250000 Ni\n0.172531 0.925278 0.749999 Ni\n",
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{
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"created_at": "2022-09-04T14:37:18.884971Z",
"updated_at": "2022-09-04T14:37:18.885006Z",
"structure_string": "K2 S2 O4 F2\n1.0\n0.000000 4.655061 -0.085857\n5.613280 0.000000 0.000000\n0.000000 -2.101768 -6.434653\nK S O F\n2 2 4 2\ndirect\n0.841415 0.750000 0.716903 K\n0.158584 0.250000 0.283097 K\n0.604585 0.750000 0.180355 S\n0.395414 0.250000 0.819645 S\n0.671449 0.533339 0.307913 O\n0.328550 0.033339 0.692087 O\n0.328550 0.466661 0.692087 O\n0.671449 0.966661 0.307913 O\n0.816095 0.250000 0.875666 F\n0.183904 0.750000 0.124334 F\n",
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{
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"structure_string": "Mg4 Co4 O8\n1.0\n2.896002 -0.246552 -0.228912\n0.655948 7.282592 0.439434\n0.654279 0.774998 7.415307\nMg Co O\n4 4 8\ndirect\n0.762129 0.027917 0.793881 Mg\n0.261948 0.952001 0.177928 Mg\n0.262057 0.676146 0.938224 Mg\n0.761999 0.303766 0.033568 Mg\n0.262092 0.254213 0.390456 Co\n0.262177 0.402131 0.679002 Co\n0.761849 0.577786 0.292792 Co\n0.761968 0.725714 0.581342 Co\n0.261759 0.729770 0.388978 O\n0.261954 0.452183 0.157520 O\n0.762075 0.527734 0.814278 O\n0.762269 0.250136 0.582818 O\n0.761915 0.115636 0.266561 O\n0.262083 0.167627 0.918324 O\n0.262144 0.864289 0.705231 O\n-0.238026 0.812288 0.053483 O\n",
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{
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"updated_at": "2022-09-04T14:37:18.943014Z",
"structure_string": "Li4 Ag2 F10\n1.0\n-5.221233 -0.828547 0.000496\n3.481353 4.998463 -0.000998\n-0.000400 -0.002201 -8.759756\nLi Ag F\n4 2 10\ndirect\n0.147419 0.901542 0.922020 Li\n0.147452 0.901576 0.577997 Li\n-0.147464 0.098404 0.421989 Li\n-0.147454 0.098427 0.077996 Li\n0.680238 0.465538 0.250001 Ag\n0.319753 0.534465 0.750000 Ag\n0.557869 0.180272 0.408704 F\n0.557934 0.180348 0.091245 F\n0.825777 0.758395 0.409651 F\n0.825812 0.758423 0.090386 F\n0.897782 0.687891 0.750006 F\n0.102208 0.312076 0.249992 F\n0.174204 0.241601 0.909615 F\n0.174269 0.241642 0.590341 F\n0.442143 0.819739 0.591300 F\n0.442056 0.819652 0.908760 F\n",
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}
]
}