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{
"id": "jvasp-22901",
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{
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"structure_string": "Tl4 Sn4 F28\n1.0\n0.000000 8.753627 0.051295\n5.409093 0.000000 0.000000\n0.000000 -5.527696 -10.783338\nTl Sn F\n4 4 28\ndirect\n0.813638 0.762365 0.736710 Tl\n0.186362 0.262365 0.763290 Tl\n0.186362 0.237635 0.263290 Tl\n0.813638 0.737634 0.236710 Tl\n0.728720 0.235368 0.458564 Sn\n0.271281 0.735367 0.041436 Sn\n0.271280 0.764632 0.541437 Sn\n0.728720 0.264632 0.958564 Sn\n0.014735 0.746591 0.452418 F\n0.728489 0.048953 0.313826 F\n0.271511 0.548953 0.186174 F\n0.271511 0.951046 0.686174 F\n0.728489 0.451046 0.813826 F\n0.297261 0.464735 0.644477 F\n0.702739 0.535265 0.355523 F\n0.702739 0.964734 0.855523 F\n0.985265 0.246591 0.047582 F\n0.957050 0.115919 0.772065 F\n0.042950 0.615919 0.727936 F\n0.297261 0.035265 0.144477 F\n0.985265 0.253408 0.547582 F\n0.474442 0.173893 0.375810 F\n0.525559 0.826106 0.624190 F\n0.474441 0.326107 0.875810 F\n0.042951 0.884080 0.227936 F\n0.525559 0.673893 0.124190 F\n0.702280 0.427782 0.588395 F\n0.297720 0.927782 0.911605 F\n0.297720 0.572217 0.411605 F\n0.702280 0.072217 0.088395 F\n0.755526 0.591756 0.043736 F\n0.244475 0.091756 0.456265 F\n0.244475 0.408243 0.956265 F\n0.755526 0.908243 0.543736 F\n0.014735 0.753408 0.952418 F\n0.957050 0.384081 0.272065 F\n",
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{
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"structure_string": "Re4 Te12 Br20\n1.0\n8.620811 0.000000 0.000000\n0.000000 10.896695 -3.032593\n0.000000 -0.001740 12.404740\nRe Te Br\n4 12 20\ndirect\n0.860433 0.779768 0.209091 Re\n0.083663 0.634146 0.278653 Re\n0.583662 0.365853 0.721347 Re\n0.360434 0.220232 0.790909 Re\n0.956146 0.564013 0.077210 Te\n0.766004 0.391166 0.547672 Te\n0.308498 0.062742 0.922213 Te\n0.468926 0.162067 0.576641 Te\n0.160121 0.811909 0.183236 Te\n0.660121 0.188091 0.816764 Te\n0.968926 0.837933 0.423359 Te\n0.266004 0.608834 0.452328 Te\n0.456146 0.435987 0.922790 Te\n0.277747 0.361671 0.652101 Te\n0.808498 0.937258 0.077787 Te\n0.777747 0.638328 0.347899 Te\n0.448376 0.159913 0.111276 Br\n0.241104 0.601000 0.896614 Br\n0.740610 0.988721 0.646416 Br\n0.741104 0.399000 0.103386 Br\n0.175541 0.030803 0.698357 Br\n0.366885 0.550422 0.218974 Br\n0.491451 0.878410 0.853971 Br\n0.111312 0.274402 0.920192 Br\n0.240610 0.011278 0.353585 Br\n0.569678 0.587872 0.684554 Br\n0.675541 0.969197 0.301643 Br\n0.447103 0.797914 0.509622 Br\n0.086589 0.665867 0.628784 Br\n0.586589 0.334132 0.371216 Br\n0.947103 0.202085 0.490378 Br\n0.611312 0.725597 0.079808 Br\n0.866885 0.449578 0.781026 Br\n0.991451 0.121590 0.146029 Br\n0.948376 0.840087 0.888724 Br\n0.069678 0.412128 0.315446 Br\n",
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{
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"updated_at": "2022-09-04T14:38:29.495178Z",
"structure_string": "Sr8 Ge8 Se20\n1.0\n0.000000 8.515168 0.008968\n12.382041 0.000000 0.000000\n0.000000 -7.891758 -9.218759\nSr Ge Se\n8 8 20\ndirect\n0.538458 0.196664 0.479445 Sr\n0.461542 0.696664 0.020555 Sr\n0.461542 0.803336 0.520555 Sr\n0.538458 0.303336 0.979445 Sr\n0.012918 0.336613 0.469363 Sr\n0.987082 0.836613 0.030637 Sr\n0.987082 0.663387 0.530637 Sr\n0.012918 0.163387 0.969363 Sr\n0.157358 0.049666 0.667208 Ge\n0.842642 0.549666 0.832792 Ge\n0.842642 0.950334 0.332792 Ge\n0.157358 0.450334 0.167208 Ge\n0.515021 0.520368 0.313451 Ge\n0.484979 0.020368 0.186549 Ge\n0.515021 0.979632 0.813451 Ge\n0.484979 0.479632 0.686549 Ge\n0.250318 0.558162 0.454206 Se\n0.478398 0.714788 0.291482 Se\n0.521602 0.214788 0.208518 Se\n0.318380 0.992764 0.284549 Se\n0.681620 0.492764 0.215451 Se\n0.681620 0.007236 0.715451 Se\n0.318380 0.507236 0.784549 Se\n0.749682 0.058162 0.045794 Se\n0.250318 0.941837 0.954206 Se\n0.896208 0.909386 0.557014 Se\n0.937647 0.792668 0.277269 Se\n0.937646 0.707332 0.777269 Se\n0.062353 0.292668 0.222731 Se\n0.062353 0.207332 0.722731 Se\n0.103792 0.090614 0.442986 Se\n0.896208 0.590614 0.057014 Se\n0.478397 0.785212 0.791482 Se\n0.103792 0.409386 0.942986 Se\n0.749682 0.441838 0.545794 Se\n0.521602 0.285212 0.708518 Se\n",
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{
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"created_at": "2022-09-04T14:38:29.774602Z",
"updated_at": "2022-09-04T14:38:29.774628Z",
"structure_string": "Ba8 Al4 In4 O20\n1.0\n2.952951 -5.114660 -0.000000\n2.952951 5.114660 0.000000\n-0.000000 -0.000000 19.942388\nBa Al In O\n8 4 4 20\ndirect\n0.333333 0.666667 0.893665 Ba\n0.666667 0.333333 0.106335 Ba\n0.666667 0.333333 0.393665 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.250000 Ba\n0.333333 0.666667 0.606335 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.836841 Al\n0.000000 0.000000 0.163159 Al\n0.000000 0.000000 0.663159 Al\n0.000000 0.000000 0.336841 Al\n0.333333 0.666667 0.433377 In\n0.666667 0.333333 0.933377 In\n0.666667 0.333333 0.566624 In\n0.333333 0.666667 0.066624 In\n0.836554 0.163446 0.865943 O\n0.500000 -0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.326893 0.163446 0.634057 O\n0.163446 0.836554 0.134057 O\n0.500000 0.500000 0.500000 O\n0.163446 0.326893 0.365943 O\n0.500000 0.500000 0.000000 O\n0.673107 0.836554 0.365943 O\n0.500000 -0.000000 0.500000 O\n0.163446 0.326893 0.134057 O\n0.836554 0.673107 0.865943 O\n0.836554 0.163446 0.634057 O\n0.673107 0.836554 0.134057 O\n0.163446 0.836554 0.365943 O\n0.000000 0.000000 0.250000 O\n-0.000000 0.500000 0.500000 O\n0.836554 0.673107 0.634057 O\n0.000000 0.000000 0.750000 O\n0.326893 0.163446 0.865943 O\n",
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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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"structure_string": "Ho4 Pt4 F28\n1.0\n0.000000 8.762197 0.014637\n5.412551 0.000000 0.000000\n0.000000 -5.483954 -10.594268\nHo Pt F\n4 4 28\ndirect\n0.813459 0.762626 0.236519 Ho\n0.186541 0.262626 0.263481 Ho\n0.186541 0.237373 0.763481 Ho\n0.813460 0.737373 0.736519 Ho\n0.271030 0.758992 0.041895 Pt\n0.728970 0.258992 0.458105 Pt\n0.728971 0.241008 0.958105 Pt\n0.271030 0.741008 0.541895 Pt\n0.019404 0.751484 0.450057 F\n0.716907 0.954959 0.365085 F\n0.283093 0.454959 0.134915 F\n0.283094 0.045041 0.634915 F\n0.716907 0.545041 0.865085 F\n0.745400 0.440216 0.321788 F\n0.254600 0.559784 0.678212 F\n0.254600 0.940215 0.178211 F\n0.980596 0.251484 0.049942 F\n0.965145 0.401108 0.769222 F\n0.034856 0.901107 0.730778 F\n0.745401 0.059784 0.821788 F\n0.980596 0.248516 0.549942 F\n0.477954 0.286560 0.362551 F\n0.522046 0.713440 0.637449 F\n0.477954 0.213440 0.862551 F\n0.034856 0.598892 0.230777 F\n0.522046 0.786560 0.137449 F\n0.266933 0.072592 0.957527 F\n0.733068 0.572592 0.542473 F\n0.733068 0.927407 0.042473 F\n0.266932 0.427408 0.457527 F\n0.704237 0.070609 0.589212 F\n0.295764 0.570609 0.910788 F\n0.295764 0.929391 0.410788 F\n0.704236 0.429391 0.089212 F\n0.019405 0.748516 0.950058 F\n0.965145 0.098892 0.269222 F\n",
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"structure_string": "Mg2 Fe2 P8 O24\n1.0\n7.230702 0.026748 -0.011896\n-2.441412 6.806076 0.011012\n-3.284442 -2.791517 8.758685\nMg Fe P O\n2 2 8 24\ndirect\n0.198336 0.948011 0.249857 Mg\n0.802103 0.051788 0.749855 Mg\n0.000222 0.999902 0.499857 Fe\n0.000219 0.499900 0.999855 Fe\n0.295468 0.248044 0.021300 P\n0.273516 0.726093 0.521299 P\n0.704975 0.751759 0.978415 P\n0.726920 0.273703 0.478414 P\n0.490772 0.297047 0.800447 P\n0.003663 0.309937 0.300447 P\n0.509669 0.702756 0.199267 P\n0.996768 0.689858 0.699262 P\n0.303189 0.722203 0.186523 O\n0.510412 0.841934 0.593973 O\n0.748144 0.915981 0.905739 O\n0.865467 0.192523 0.584691 O\n0.108014 0.280318 0.915026 O\n0.134973 0.807280 0.415025 O\n0.892428 0.719485 0.084689 O\n0.964575 0.883597 0.686517 O\n0.697249 0.277594 0.813189 O\n0.035863 0.116202 0.313194 O\n0.046067 0.650359 0.849642 O\n0.218899 0.494754 0.432483 O\n0.954363 0.349436 0.150067 O\n0.699545 0.803832 0.349645 O\n0.781533 0.505045 0.567226 O\n0.437989 0.213841 0.932481 O\n0.252299 0.083821 0.093974 O\n0.562452 0.785962 0.067232 O\n0.187679 0.687423 0.651774 O\n0.535831 0.535448 0.847940 O\n0.812755 0.312371 0.347937 O\n0.464614 0.464355 0.151775 O\n0.300895 0.195976 0.650067 O\n0.490025 0.157858 0.405742 O\n",
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