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{
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{
"id": "jvasp-99124",
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"structure_string": "Na8 Li10 B6 O18\n1.0\n6.960258 -0.014297 1.862215\n3.110794 6.226424 1.862215\n0.017359 0.010708 9.785186\nNa Li B O\n8 10 6 18\ndirect\n0.879131 0.363658 0.483775 Na\n0.222907 0.333562 0.785179 Na\n0.666438 0.777092 0.714823 Na\n0.636342 0.120869 0.016226 Na\n0.333562 0.222907 0.285179 Na\n0.777093 0.666438 0.214823 Na\n0.363658 0.879130 0.983775 Na\n0.120870 0.636342 0.516227 Na\n0.985809 0.923178 0.139674 Li\n0.297779 0.517126 0.011544 Li\n0.482874 0.702221 0.488458 Li\n0.076821 0.014192 0.360328 Li\n0.721251 0.278749 0.250001 Li\n0.702222 0.482873 0.988458 Li\n0.923179 0.985807 0.639674 Li\n0.278749 0.721250 0.750001 Li\n0.014192 0.076821 0.860328 Li\n0.517127 0.297778 0.511544 Li\n0.917562 0.747478 0.904494 B\n0.747479 0.917561 0.404494 B\n0.082438 0.252521 0.095508 B\n0.252521 0.082438 0.595508 B\n0.394225 0.605774 0.250001 B\n0.605775 0.394225 0.750001 B\n0.708623 0.001218 0.263416 O\n0.001218 0.708622 0.763416 O\n0.206048 0.793951 0.250001 O\n0.466260 0.478665 0.144827 O\n0.521334 0.533740 0.355175 O\n0.033780 0.790411 0.977259 O\n0.478666 0.466259 0.644827 O\n0.793952 0.206048 0.750001 O\n0.277689 0.249567 0.028729 O\n0.750433 0.722310 0.471272 O\n0.291378 -0.001218 0.736585 O\n0.209589 0.966219 0.522743 O\n-0.001218 0.291377 0.236585 O\n0.533740 0.521334 0.855175 O\n0.966220 0.209588 0.022743 O\n0.790411 0.033780 0.477258 O\n0.722311 0.750432 0.971272 O\n0.249568 0.277689 0.528729 O\n",
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{
"id": "jvasp-30216",
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"structure_string": "Sb16 Cl4 O22\n1.0\n15.269649 0.000000 12.090232\n0.000000 4.174292 0.000000\n-2.517010 0.000000 10.682779\nSb Cl O\n16 4 22\ndirect\n0.976128 0.679251 0.712609 Sb\n0.023872 0.320749 0.287391 Sb\n0.737897 0.017533 0.125782 Sb\n0.762103 0.517533 0.374218 Sb\n0.777676 0.539723 0.865904 Sb\n0.722324 0.039723 0.634096 Sb\n0.572427 0.322181 0.375903 Sb\n0.476128 0.820749 0.212609 Sb\n0.927573 0.822181 0.124097 Sb\n0.427573 0.677818 0.624097 Sb\n0.277676 0.960276 0.365904 Sb\n0.222324 0.460276 0.134096 Sb\n0.237897 0.482467 0.625782 Sb\n0.262103 0.982467 0.874218 Sb\n0.523872 0.179251 0.787391 Sb\n0.072427 0.177819 0.875903 Sb\n0.597235 0.529122 0.891109 Cl\n0.902765 0.029122 0.608891 Cl\n0.097235 0.970878 0.391109 Cl\n0.402765 0.470878 0.108891 Cl\n0.500000 0.000000 0.500000 O\n0.729487 0.531647 0.073513 O\n0.879466 0.587676 0.870820 O\n0.743473 0.536089 0.567898 O\n0.770513 0.031647 0.426486 O\n0.624532 0.994186 0.232237 O\n0.499711 0.428299 0.295784 O\n0.756527 0.036089 0.932102 O\n0.620534 0.087676 0.629180 O\n0.379466 0.912323 0.370820 O\n-0.000289 0.071701 0.795784 O\n0.500289 0.571701 0.704216 O\n0.375468 0.005813 0.767763 O\n0.229487 0.968352 0.573514 O\n0.256527 0.463911 0.432102 O\n0.120534 0.412323 0.129180 O\n0.000000 0.500000 0.000000 O\n0.270513 0.468352 0.926487 O\n0.124532 0.505813 0.732237 O\n0.875468 0.494186 0.267763 O\n0.243473 0.963910 0.067898 O\n0.000289 0.928299 0.204216 O\n",
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{
"id": "jvasp-96764",
"created_at": "2022-09-04T14:36:33.060351Z",
"updated_at": "2022-09-04T14:36:33.060378Z",
"structure_string": "S14 N12 O16\n1.0\n4.834222 -0.000000 -0.000000\n-0.000000 11.589268 0.000000\n0.000000 -0.000000 11.589268\nS N O\n14 12 16\ndirect\n0.301804 0.766174 0.733826 S\n0.698196 0.266174 0.766174 S\n0.301804 0.233826 0.266174 S\n0.573659 0.000000 0.500000 S\n0.109435 0.280968 0.039381 S\n0.890565 0.039381 0.719032 S\n0.890565 0.960619 0.280968 S\n0.109435 0.719032 0.960619 S\n0.890565 0.780968 0.460619 S\n0.890565 0.219032 0.539381 S\n0.109435 0.460619 0.219032 S\n0.109435 0.539381 0.780968 S\n0.426340 0.500000 0.000000 S\n0.698196 0.733826 0.233826 S\n0.244044 0.639611 0.699141 N\n0.244044 0.199141 0.139610 N\n0.211357 0.418770 0.081230 N\n0.788643 0.081230 0.581230 N\n0.788643 0.918770 0.418770 N\n0.211357 0.581230 0.918770 N\n0.244044 0.360390 0.300859 N\n0.755956 0.300859 0.639611 N\n0.755956 0.699141 0.360390 N\n0.244044 0.800859 0.860390 N\n0.755956 0.860390 0.199141 N\n0.755956 0.139610 0.800859 N\n0.756906 0.932701 0.742484 O\n0.243093 0.432701 0.757516 O\n0.814724 0.548137 0.775047 O\n0.185275 0.775047 0.451864 O\n0.814724 0.724954 0.951864 O\n0.185275 0.951864 0.275046 O\n0.185275 0.048137 0.724954 O\n0.814724 0.275046 0.048137 O\n0.185275 0.224954 0.548137 O\n0.243093 0.257516 0.932701 O\n0.756906 0.242484 0.432701 O\n0.756906 0.757516 0.567299 O\n0.243093 0.742484 0.067299 O\n0.756906 0.067299 0.257516 O\n0.814724 0.451864 0.224954 O\n0.243093 0.567299 0.242484 O\n",
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"formula_full": "S14 N12 O16",
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{
"id": "jvasp-25784",
"created_at": "2022-09-04T14:37:38.065173Z",
"updated_at": "2022-09-04T14:37:38.065202Z",
"structure_string": "K6 Zr6 F30\n1.0\n7.390987 -0.031642 -0.035257\n3.391795 7.774255 -0.047579\n3.316588 1.461823 10.073570\nK Zr F\n6 6 30\ndirect\n0.714589 0.505675 0.770584 K\n0.745694 0.152609 0.069799 K\n0.223865 0.183250 0.574893 K\n0.776136 0.816749 0.425107 K\n0.254307 0.847391 0.930200 K\n0.285411 0.494324 0.229415 K\n0.717832 0.026633 0.743775 Zr\n0.234057 0.340366 0.918704 Zr\n0.282168 0.973366 0.256224 Zr\n0.258022 0.665418 0.568948 Zr\n0.741978 0.334581 0.431052 Zr\n0.765943 0.659634 0.081295 Zr\n0.666195 0.870014 0.937682 F\n0.018939 0.275698 0.887674 F\n0.012458 0.403173 0.104300 F\n0.177613 0.759674 0.375659 F\n0.653137 0.833732 0.709633 F\n0.685139 0.557885 0.279885 F\n0.335269 0.497981 0.969803 F\n0.421939 0.762978 0.139337 F\n0.314861 0.442114 0.720115 F\n0.968044 0.424969 0.402893 F\n0.937504 0.003154 0.827788 F\n0.407264 0.443160 0.460464 F\n0.990403 0.888516 0.611067 F\n0.346863 0.166267 0.290367 F\n0.578061 0.237021 0.860662 F\n0.612127 0.887795 0.199101 F\n0.062496 0.996845 0.172211 F\n0.987542 0.596826 0.895700 F\n0.690132 0.248402 0.293270 F\n0.309869 0.751598 0.706730 F\n0.664732 0.502018 0.030197 F\n0.009598 0.111483 0.388932 F\n0.387874 0.112204 0.800899 F\n0.031956 0.575031 0.597107 F\n0.822388 0.240326 0.624340 F\n0.333805 0.129985 0.062317 F\n0.981061 0.724301 0.112326 F\n0.627204 0.129065 0.553288 F\n0.592737 0.556840 0.539535 F\n0.372796 0.870934 0.446712 F\n",
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{
"id": "jvasp-21010",
"created_at": "2022-09-04T14:38:14.928256Z",
"updated_at": "2022-09-04T14:38:14.928269Z",
"structure_string": "Li12 Be6 F24\n1.0\n7.864062 0.001298 -2.519110\n-3.452506 7.065669 -2.519108\n0.000811 0.001297 8.257687\nLi Be F\n12 6 24\ndirect\n0.275620 0.102056 0.877010 Li\n0.102055 0.877010 0.275620 Li\n0.877009 0.275620 0.102056 Li\n0.724380 0.897945 0.122990 Li\n0.897944 0.122991 0.724381 Li\n0.122990 0.724381 0.897945 Li\n0.611999 0.438875 0.203643 Li\n0.438874 0.203643 0.612000 Li\n0.203642 0.612000 0.438875 Li\n0.388000 0.561126 0.796358 Li\n0.561125 0.796358 0.388000 Li\n0.796357 0.388001 0.561126 Li\n0.461694 0.053450 0.234010 Be\n0.234009 0.461694 0.053449 Be\n0.053449 0.234010 0.461694 Be\n0.538306 0.946551 0.765990 Be\n0.765990 0.538307 0.946551 Be\n0.946550 0.765991 0.538306 Be\n0.036188 0.362988 0.356717 F\n0.643283 0.963813 0.637012 F\n0.637012 0.643284 0.963812 F\n0.963812 0.637013 0.643284 F\n0.573068 0.930162 0.243314 F\n0.243314 0.573069 0.930162 F\n0.930161 0.243315 0.573068 F\n0.426932 0.069839 0.756686 F\n0.756685 0.426932 0.069839 F\n0.069838 0.756686 0.426932 F\n0.307448 0.975316 0.026699 F\n0.267225 0.311531 0.603993 F\n0.975315 0.026700 0.307449 F\n0.692551 0.024685 0.973301 F\n0.973300 0.692552 0.024684 F\n0.024684 0.973301 0.692552 F\n0.732775 0.688470 0.396007 F\n0.688469 0.396007 0.732775 F\n0.396006 0.732776 0.688469 F\n0.362988 0.356717 0.036188 F\n0.311530 0.603993 0.267225 F\n0.603993 0.267225 0.311531 F\n0.026699 0.307449 0.975316 F\n0.356717 0.036188 0.362988 F\n",
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{
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"created_at": "2022-09-04T14:35:57.857119Z",
"updated_at": "2022-09-04T14:35:57.857153Z",
"structure_string": "La12 Ti4 S16 O10\n1.0\n4.021626 0.000000 0.000000\n0.000000 12.623390 -1.518235\n0.000000 -0.022854 16.444456\nLa Ti S O\n12 4 16 10\ndirect\n0.750001 0.320880 0.648066 La\n0.750001 0.269303 0.102815 La\n0.750001 0.998804 0.380405 La\n0.750001 0.384361 0.397516 La\n0.250000 0.068257 0.882619 La\n0.250000 0.001196 0.619596 La\n0.250000 0.730697 0.897185 La\n0.250000 0.679120 0.351935 La\n0.250000 0.395549 0.874030 La\n0.750001 0.931743 0.117381 La\n0.750001 0.604451 0.125970 La\n0.250000 0.615640 0.602484 La\n0.250000 0.153325 0.233534 Ti\n0.250000 0.441584 0.226562 Ti\n0.750001 0.558416 0.773439 Ti\n0.750001 0.846675 0.766467 Ti\n0.750001 0.030683 0.754283 S\n0.750001 0.912965 0.932372 S\n0.250000 0.969318 0.245718 S\n0.750001 0.775168 0.268774 S\n0.250000 0.885606 0.454928 S\n0.750001 0.804618 0.625638 S\n0.750001 0.114394 0.545073 S\n0.750001 0.235990 0.924308 S\n0.250000 0.195382 0.374362 S\n0.250000 0.391558 0.534405 S\n0.750001 0.608442 0.465595 S\n0.250000 0.224833 0.731227 S\n0.250000 0.087035 0.067628 S\n0.250000 0.764010 0.075693 S\n0.750001 0.569182 0.938537 S\n0.250000 0.430819 0.061464 S\n0.250000 0.287614 0.192439 O\n0.750001 0.414828 0.787222 O\n0.750001 0.149757 0.218211 O\n0.250000 0.585173 0.212778 O\n0.250000 0.850243 0.781790 O\n0.750001 0.544373 0.659655 O\n0.750001 0.712386 0.807561 O\n0.750001 0.432958 0.219203 O\n0.250000 0.455627 0.340345 O\n0.250000 0.567042 0.780798 O\n",
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{
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"structure_string": "Ca4 As6 Pb6 Cl2 O24\n1.0\n10.290352 -0.000000 0.000000\n-5.145176 8.911707 -0.000000\n-0.000000 -0.000000 7.126711\nCa As Pb Cl O\n4 6 6 2 24\ndirect\n0.666667 0.333333 0.505421 Ca\n0.333333 0.666667 0.494579 Ca\n0.666667 0.333333 0.994579 Ca\n0.333333 0.666667 0.005421 Ca\n0.608570 0.030703 0.250000 As\n0.030703 0.422133 0.750000 As\n0.577866 0.608570 0.750000 As\n0.391430 0.969297 0.750000 As\n0.969296 0.577867 0.250000 As\n0.422133 0.391430 0.250000 As\n0.259130 0.021701 0.250000 Pb\n0.740870 0.978299 0.750000 Pb\n0.978298 0.237429 0.250000 Pb\n0.021701 0.762572 0.750000 Pb\n0.237429 0.259130 0.750000 Pb\n0.762571 0.740870 0.250000 Pb\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.844088 0.365992 0.750000 O\n0.908314 0.634162 0.442790 O\n0.616992 0.470829 0.250000 O\n0.365838 0.274152 0.057210 O\n0.478096 0.844089 0.250000 O\n0.853836 0.383008 0.250000 O\n0.091686 0.365838 0.942790 O\n0.274152 0.908315 0.557210 O\n0.634162 0.725848 0.557210 O\n0.155911 0.634008 0.250000 O\n0.634162 0.725848 0.942790 O\n0.725848 0.091686 0.057210 O\n0.383007 0.529172 0.750000 O\n0.146164 0.616993 0.750000 O\n0.634008 0.478097 0.750000 O\n0.274152 0.908315 0.942790 O\n0.091686 0.365838 0.557210 O\n0.470828 0.853836 0.750000 O\n0.908314 0.634162 0.057210 O\n0.725848 0.091686 0.442790 O\n0.529171 0.146164 0.250000 O\n0.365838 0.274152 0.442790 O\n0.365992 0.521904 0.250000 O\n0.521903 0.155912 0.750000 O\n",
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{
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