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{
"id": "jvasp-97784",
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"structure_string": "Ba8 Ir6 O20\n1.0\n5.798186 0.007907 0.000000\n-2.823537 6.788276 0.000000\n0.000000 0.000000 13.281229\nBa Ir O\n8 6 20\ndirect\n0.263720 0.518350 0.387259 Ba\n0.965079 0.917038 0.362693 Ba\n0.534923 0.082963 0.862693 Ba\n0.034922 0.082963 0.637307 Ba\n0.465078 0.917038 0.137307 Ba\n0.736280 0.481651 0.612741 Ba\n0.763721 0.518350 0.112741 Ba\n0.236280 0.481651 0.887259 Ba\n0.631646 0.243565 0.349591 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.131645 0.243565 0.150409 Ir\n0.368355 0.756436 0.650409 Ir\n0.868355 0.756436 0.849591 Ir\n0.838930 0.227503 0.475391 O\n0.661071 0.772498 0.975391 O\n0.526472 0.073694 0.651290 O\n0.067551 0.766840 0.725690 O\n0.026471 0.073693 0.848710 O\n0.338930 0.227503 0.024609 O\n0.161071 0.772498 0.524609 O\n0.135347 0.787425 0.959954 O\n0.364653 0.212576 0.459954 O\n0.864653 0.212576 0.040046 O\n0.635348 0.787425 0.540046 O\n0.728107 0.465572 0.846053 O\n0.771894 0.534429 0.346053 O\n0.271893 0.534429 0.153948 O\n0.228107 0.465572 0.653948 O\n0.567551 0.766840 0.774310 O\n0.932450 0.233162 0.274310 O\n0.432449 0.233161 0.225690 O\n0.473529 0.926307 0.348710 O\n0.973529 0.926308 0.151290 O\n",
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"structure_string": "Ba8 Ru6 O20\n1.0\n5.789395 0.000000 0.000000\n-2.894698 6.731710 -0.000000\n0.000000 0.000000 13.091076\nBa Ru O\n8 6 20\ndirect\n0.239935 0.479870 0.888272 Ba\n0.038769 0.077538 0.638344 Ba\n0.961232 0.922462 0.361656 Ba\n0.461231 0.922462 0.138344 Ba\n0.760065 0.520130 0.111728 Ba\n0.739935 0.479870 0.611729 Ba\n0.260065 0.520130 0.388272 Ba\n0.538769 0.077538 0.861657 Ba\n0.000000 0.000000 0.000000 Ru\n0.877512 0.755023 0.848916 Ru\n0.122488 0.244977 0.151084 Ru\n0.622488 0.244977 0.348916 Ru\n0.377512 0.755023 0.651085 Ru\n0.500000 0.000000 0.500000 Ru\n0.628601 0.757200 0.750000 O\n0.963239 0.926477 0.152336 O\n0.036761 0.073523 0.847664 O\n0.231925 0.463849 0.647477 O\n0.128600 0.757200 0.750000 O\n0.463239 0.926477 0.347664 O\n0.536762 0.073523 0.652336 O\n0.119006 0.780866 0.965458 O\n0.338140 0.219134 0.034542 O\n0.380994 0.219134 0.465458 O\n0.161860 0.780866 0.534542 O\n0.880995 0.219134 0.034542 O\n0.661861 0.780866 0.965458 O\n0.619006 0.780866 0.534542 O\n0.838140 0.219134 0.465458 O\n0.731926 0.463849 0.852524 O\n0.268075 0.536151 0.147476 O\n0.768075 0.536151 0.352524 O\n0.371400 0.242800 0.250000 O\n0.871400 0.242800 0.250000 O\n",
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{
"id": "jvasp-91481",
"created_at": "2022-09-04T14:35:53.277444Z",
"updated_at": "2022-09-04T14:35:53.277464Z",
"structure_string": "Na6 Fe10 O18\n1.0\n5.195319 -0.003522 -0.048208\n-0.075913 9.007348 0.878298\n-0.006204 -0.020585 9.050362\nNa Fe O\n6 10 18\ndirect\n0.727156 0.682103 0.838177 Na\n0.772846 0.161823 0.317897 Na\n0.272846 0.317898 0.161823 Na\n0.227156 0.838177 0.682103 Na\n0.750001 0.410392 0.589608 Na\n0.250001 0.589609 0.410392 Na\n0.250001 0.060131 0.939869 Fe\n0.750001 0.939870 0.060131 Fe\n0.280918 0.976170 0.296622 Fe\n0.219083 0.703378 0.023831 Fe\n0.719083 0.023831 0.703378 Fe\n0.221901 0.199528 0.568051 Fe\n0.278100 0.431949 0.800473 Fe\n0.778100 0.800473 0.431949 Fe\n0.721901 0.568052 0.199527 Fe\n0.780918 0.296623 0.976169 Fe\n0.676758 0.836897 0.623518 O\n0.070677 0.026235 0.127157 O\n0.429324 0.872844 0.973765 O\n0.929324 0.973766 0.872843 O\n0.570678 0.127157 0.026235 O\n0.323244 0.163104 0.376482 O\n0.176758 0.623519 0.836896 O\n0.823244 0.376482 0.163104 O\n0.870857 0.737471 0.082277 O\n0.358841 0.566419 0.167096 O\n0.858841 0.167096 0.566418 O\n0.641160 0.433582 0.832904 O\n0.370857 0.082278 0.737471 O\n0.129144 0.262530 0.917723 O\n0.629144 0.917723 0.262529 O\n0.750001 0.595848 0.404153 O\n0.141160 0.832905 0.433582 O\n0.250001 0.404153 0.595847 O\n",
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{
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"structure_string": "As16 S18\n1.0\n0.000000 9.177984 0.095146\n9.707466 0.000000 0.000000\n0.000000 -2.076701 -9.716529\nAs S\n16 18\ndirect\n0.177542 0.024178 0.372378 As\n0.448320 0.774751 0.021406 As\n0.051680 0.774751 0.978594 As\n0.551679 0.225249 0.978593 As\n0.948320 0.225249 0.021406 As\n0.141472 0.579549 0.828983 As\n0.641472 0.420451 0.828982 As\n0.858528 0.420451 0.171017 As\n0.358528 0.579549 0.171017 As\n0.561413 0.676827 0.562839 As\n0.061413 0.323173 0.562840 As\n0.438587 0.323173 0.437160 As\n0.677541 0.975823 0.372378 As\n0.822458 0.975823 0.627621 As\n0.322458 0.024178 0.627622 As\n0.938586 0.676827 0.437160 As\n0.822445 0.832253 0.275961 S\n0.250000 0.431378 -0.000000 S\n0.750000 0.568622 -0.000000 S\n0.136600 0.675032 0.187956 S\n0.363400 0.675032 0.812044 S\n0.863400 0.324969 0.812044 S\n0.636599 0.324969 0.187956 S\n0.677555 0.832253 0.724038 S\n0.981765 0.166307 0.389234 S\n0.322445 0.167748 0.275961 S\n0.750000 0.554312 0.500000 S\n0.250000 0.445689 0.500000 S\n0.481765 0.833693 0.389235 S\n0.018235 0.833693 0.610765 S\n0.518235 0.166307 0.610765 S\n0.250000 0.920920 -0.000000 S\n0.177555 0.167748 0.724038 S\n0.750000 0.079081 -0.000000 S\n",
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{
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"created_at": "2022-09-04T14:36:47.205372Z",
"updated_at": "2022-09-04T14:36:47.205391Z",
"structure_string": "H14 C16 N2 O2\n1.0\n5.731462 0.037925 -1.171356\n-2.298354 7.140469 -1.125092\n-0.341907 -0.128822 7.392738\nH C N O\n14 16 2 2\ndirect\n0.060469 0.252721 0.025075 H\n0.903135 0.418472 0.377185 H\n0.695392 0.485510 0.205333 H\n0.710699 0.737536 0.063328 H\n0.332514 0.558196 0.997489 H\n0.652413 0.685129 0.431936 H\n0.604747 0.759402 0.726171 H\n0.211324 0.560413 0.654050 H\n0.141382 0.985553 0.504443 H\n0.168776 0.228546 0.362223 H\n0.658845 0.046051 0.945871 H\n0.766839 0.022868 0.285898 H\n0.117200 0.190380 0.732548 H\n0.338584 0.908444 0.672447 H\n0.172687 0.601909 0.937457 C\n0.087654 0.623546 0.253129 C\n0.821939 0.699547 0.974730 C\n0.761525 0.712688 0.786258 C\n0.866335 0.540037 0.325522 C\n0.030159 0.644968 0.055788 C\n0.895933 0.657857 0.664830 C\n0.104215 0.602049 0.744561 C\n0.351183 0.150708 0.961744 C\n0.275938 0.187556 0.271292 C\n0.216575 0.204251 0.083656 C\n0.314540 0.033643 0.622280 C\n0.476745 0.123966 0.348286 C\n0.613531 0.074670 0.227772 C\n0.551951 0.085277 0.037608 C\n0.535687 0.103944 0.546370 C\n0.281981 0.163024 0.773939 N\n0.819820 0.661861 0.475151 N\n0.749611 0.123978 0.646190 O\n0.302383 0.650902 0.356975 O\n",
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{
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"created_at": "2022-09-04T14:38:28.922773Z",
"updated_at": "2022-09-04T14:38:28.922804Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
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"structure_string": "Nd4 Te8 O22\n1.0\n5.183348 -0.000000 0.857354\n2.474098 6.322444 1.139511\n0.010409 -0.045074 16.034361\nNd Te O\n4 8 22\ndirect\n0.624775 0.199808 0.037096 Nd\n0.138322 0.699808 0.537096 Nd\n0.861679 0.300192 0.462903 Nd\n0.375226 0.800192 0.962903 Nd\n0.593328 0.884244 0.370648 Te\n0.848221 0.615755 0.129352 Te\n0.406673 0.115756 0.629352 Te\n0.151780 0.384245 0.870648 Te\n0.148307 0.041031 0.203476 Te\n0.851694 0.958969 0.796524 Te\n0.607186 0.541031 0.703475 Te\n0.392815 0.458969 0.296524 Te\n0.667875 0.527885 0.057362 O\n0.950797 0.811221 0.046597 O\n0.808616 0.688778 0.453402 O\n0.332126 0.472115 0.942638 O\n0.746878 0.027886 0.557362 O\n0.862216 0.250000 0.750000 O\n0.313362 0.871152 0.630482 O\n0.185004 0.371152 0.130482 O\n0.686639 0.128848 0.369517 O\n0.191385 0.311222 0.546598 O\n0.049204 0.188779 0.953402 O\n0.432809 0.548431 0.399443 O\n0.380685 0.951569 0.100557 O\n0.567192 0.451569 0.600557 O\n0.619316 0.048431 0.899443 O\n0.090951 0.373070 0.326841 O\n0.790862 0.126930 0.173159 O\n0.909050 0.626930 0.673159 O\n0.209139 0.873070 0.826841 O\n0.137785 0.750000 0.250000 O\n0.814997 0.628848 0.869517 O\n0.253123 0.972114 0.442638 O\n",
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{
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"structure_string": "Al4 Si4 H8 O18\n1.0\n5.198445 0.000342 0.018229\n1.934542 7.122218 0.246957\n-0.001116 -0.004738 9.022439\nAl Si H O\n4 4 8 18\ndirect\n0.361796 0.539957 0.493498 Al\n0.355025 0.542381 0.829146 Al\n0.861770 0.539958 0.993498 Al\n0.855051 0.542380 0.329141 Al\n0.055673 0.930842 0.335810 Si\n0.069610 0.928996 0.664402 Si\n0.555616 0.930841 0.835810 Si\n0.569658 0.929001 0.164400 Si\n0.625248 0.281164 0.670505 H\n0.705331 0.694384 0.562496 H\n0.106807 0.286566 0.813527 H\n0.108859 0.282718 0.502358 H\n0.125272 0.281172 0.170503 H\n0.205287 0.694402 0.062485 H\n0.608821 0.282727 0.002373 H\n0.606849 0.286571 0.313522 H\n0.682222 0.703117 0.161233 O\n0.111267 0.704609 0.351574 O\n0.182210 0.703111 0.661228 O\n0.064510 0.025652 0.497176 O\n0.264019 0.001754 0.225745 O\n0.257295 0.025361 0.764918 O\n0.611227 0.704609 0.851580 O\n0.599614 0.407547 0.355618 O\n0.599376 0.412399 0.972306 O\n0.522297 0.412066 0.665618 O\n0.611584 0.694470 0.468626 O\n0.099585 0.407549 0.855612 O\n0.099416 0.412393 0.472295 O\n0.022301 0.412069 0.165610 O\n0.111548 0.694479 0.968616 O\n0.757371 0.025368 0.264891 O\n0.564509 0.025646 0.997170 O\n0.763945 0.001735 0.725718 O\n",
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{
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"created_at": "2022-09-04T14:36:13.042941Z",
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