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{
"id": "jvasp-61253",
"created_at": "2022-09-04T14:35:51.813795Z",
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"structure_string": "K6 Al6 B6 O21\n1.0\n4.314808 -7.473467 0.000000\n4.314808 7.473467 -0.000000\n0.000000 -0.000000 8.425528\nK Al B O\n6 6 6 21\ndirect\n0.000000 0.314652 0.000000 K\n0.314652 0.000000 0.000000 K\n0.685348 0.685348 0.000000 K\n0.000000 0.354317 0.500000 K\n0.354317 0.000000 0.500000 K\n0.645683 0.645683 0.500000 K\n0.000000 0.000000 0.704873 Al\n0.000000 0.000000 0.295127 Al\n0.666667 0.333333 0.813182 Al\n0.333333 0.666667 0.186818 Al\n0.333333 0.666667 0.775142 Al\n0.666667 0.333333 0.224858 Al\n0.998838 0.664861 0.257973 B\n0.666023 0.001162 0.257973 B\n0.335140 0.333978 0.257973 B\n0.001162 0.666023 0.742028 B\n0.333978 0.335140 0.742028 B\n0.664861 0.998838 0.742028 B\n0.115539 0.599556 0.256564 O\n0.000000 0.000000 0.500000 O\n0.821141 0.550401 0.295363 O\n0.729260 0.178860 0.295363 O\n0.449600 0.270740 0.295363 O\n0.550401 0.821141 0.704638 O\n0.178860 0.729260 0.704638 O\n0.270740 0.449600 0.704638 O\n0.484018 0.884462 0.256564 O\n0.942105 0.784266 0.777255 O\n0.599556 0.115539 0.743437 O\n0.884462 0.484018 0.743437 O\n0.515983 0.400444 0.743437 O\n0.057896 0.842162 0.222745 O\n0.784266 0.942105 0.222745 O\n0.157839 0.215734 0.222745 O\n0.842162 0.057896 0.777255 O\n0.333333 0.666667 0.980974 O\n0.215734 0.157839 0.777255 O\n0.400444 0.515983 0.256564 O\n0.666667 0.333333 0.019026 O\n",
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{
"id": "jvasp-40140",
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"updated_at": "2022-09-04T14:37:44.509527Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n3.854038 0.000000 0.000000\n0.000000 11.298545 0.000000\n0.000000 -0.000000 12.479085\nCa Sn S\n6 4 14\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.113605 0.151834 Ca\n0.000000 0.886394 0.848166 Ca\n0.000000 0.613605 0.348166 Ca\n0.000000 0.386394 0.651834 Ca\n0.500000 0.215081 0.892664 Sn\n0.500000 0.784919 0.107336 Sn\n0.500000 0.715081 0.607337 Sn\n0.500000 0.284919 0.392664 Sn\n0.500000 0.078943 0.321554 S\n0.500000 0.921057 0.678446 S\n0.500000 0.578943 0.178446 S\n0.500000 0.421057 0.821554 S\n0.500000 0.296428 0.071332 S\n0.500000 0.703572 0.928669 S\n0.000000 0.858128 0.212876 S\n0.500000 0.203572 0.571332 S\n0.000000 0.358128 0.287124 S\n0.000000 0.641872 0.712876 S\n0.500000 0.500000 0.500000 S\n0.000000 0.141872 0.787124 S\n0.500000 0.796428 0.428669 S\n0.500000 0.000000 0.000000 S\n",
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{
"id": "jvasp-97879",
"created_at": "2022-09-04T14:35:41.327949Z",
"updated_at": "2022-09-04T14:35:41.327979Z",
"structure_string": "Rb2 Na10 Be16 O22\n1.0\n6.457864 0.031670 0.077671\n3.154905 7.962608 4.104760\n-0.020299 0.046367 10.612109\nRb Na Be O\n2 10 16 22\ndirect\n0.751682 0.235332 0.061678 Rb\n0.248318 0.764668 0.938322 Rb\n0.749096 0.945441 0.973555 Na\n0.127773 0.860002 0.627967 Na\n0.741185 0.732834 0.539901 Na\n0.247729 0.553555 0.517846 Na\n0.909685 0.636830 0.857428 Na\n0.258815 0.267167 0.460099 Na\n0.090315 0.363171 0.142572 Na\n0.752270 0.446446 0.482153 Na\n0.872227 0.139999 0.372033 Na\n0.250903 0.054560 0.026445 Na\n0.505613 0.592378 0.746558 Be\n0.276360 0.386975 0.851882 Be\n0.039950 0.656231 0.215630 Be\n0.960050 0.343770 0.784370 Be\n0.093910 0.155204 0.701707 Be\n0.333023 0.718859 0.240433 Be\n0.218060 0.890409 0.355782 Be\n0.666976 0.281141 0.759567 Be\n0.614837 0.785037 0.272424 Be\n0.385163 0.214963 0.727575 Be\n0.781940 0.109591 0.644218 Be\n0.723640 0.613026 0.148118 Be\n0.446824 0.087830 0.275632 Be\n0.553176 0.912171 0.724368 Be\n0.906090 0.844797 0.298293 Be\n0.494387 0.407623 0.253442 Be\n0.516017 0.769336 0.137752 O\n0.564323 0.265636 0.623289 O\n0.711896 0.435693 0.208433 O\n0.694803 0.459509 0.720229 O\n0.305197 0.540491 0.279771 O\n0.930216 0.151887 0.823339 O\n0.785513 0.927336 0.716091 O\n0.068301 0.355392 0.914693 O\n0.288104 0.564308 0.791567 O\n0.931699 0.644609 0.085307 O\n0.638225 0.960853 0.243970 O\n0.530425 0.758686 0.718461 O\n0.877025 0.657368 0.335883 O\n0.122975 0.342633 0.664117 O\n0.361775 0.039148 0.756030 O\n0.018008 0.851303 0.428592 O\n0.469575 0.241315 0.281539 O\n0.069783 0.848113 0.176661 O\n0.483983 0.230665 0.862248 O\n0.435677 0.734364 0.376711 O\n0.214486 0.072665 0.283909 O\n0.981992 0.148698 0.571408 O\n",
"nsites": 50,
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{
"id": "jvasp-87243",
"created_at": "2022-09-04T14:35:59.234541Z",
"updated_at": "2022-09-04T14:35:59.234560Z",
"structure_string": "Sr10 B6 Br2 O18\n1.0\n7.578758 0.000000 0.000000\n0.000000 8.217208 -2.901227\n-0.000000 0.033918 8.714269\nSr B Br O\n10 6 2 18\ndirect\n0.500000 0.757410 0.757409 Sr\n0.571114 0.266508 0.006657 Sr\n0.750000 0.363055 0.636945 Sr\n0.750000 0.635891 0.364109 Sr\n0.071114 0.733492 0.993343 Sr\n0.000000 0.242591 0.242590 Sr\n0.928886 0.993343 0.733492 Sr\n0.250000 0.636945 0.363055 Sr\n0.250000 0.364110 0.635891 Sr\n0.428886 0.006657 0.266508 Sr\n0.500000 0.372059 0.372059 B\n0.000000 0.627942 0.627941 B\n0.472277 0.593395 0.016180 B\n0.527724 0.016181 0.593395 B\n0.972277 0.406606 0.983820 B\n0.027723 0.983820 0.406605 B\n0.750000 0.938279 0.061721 Br\n0.250000 0.061722 0.938279 Br\n0.838990 0.694348 0.691486 O\n0.013425 0.516504 0.138191 O\n0.384490 0.735972 0.029409 O\n0.338990 0.305653 0.308514 O\n0.884490 0.264028 0.970591 O\n0.661011 0.308514 0.305652 O\n0.014026 0.442687 0.844475 O\n0.115511 0.970591 0.264028 O\n0.500000 0.510578 0.510578 O\n0.514026 0.557314 0.155524 O\n0.485974 0.155525 0.557314 O\n0.513425 0.483496 0.861809 O\n0.486575 0.861810 0.483496 O\n0.986576 0.138191 0.516504 O\n0.161011 0.691486 0.694348 O\n0.000000 0.489423 0.489422 O\n0.985974 0.844476 0.442686 O\n0.615511 0.029410 0.735972 O\n",
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{
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"created_at": "2022-09-04T14:35:47.290368Z",
"updated_at": "2022-09-04T14:35:47.290393Z",
"structure_string": "Na8 Te8 O20\n1.0\n4.748213 0.000000 -0.986876\n-0.428782 9.445539 -2.063023\n0.036742 0.076360 12.092897\nNa Te O\n8 8 20\ndirect\n0.933090 0.590289 0.897025 Na\n0.163965 0.206787 0.341126 Na\n0.822839 0.293214 0.658874 Na\n0.836034 0.793214 0.658874 Na\n0.177161 0.706787 0.341126 Na\n0.066910 0.409711 0.102975 Na\n0.963934 0.090289 0.897025 Na\n0.036066 0.909712 0.102975 Na\n0.776293 0.954672 0.379192 Te\n0.554013 0.175057 0.119973 Te\n0.434039 0.324943 0.880027 Te\n0.445986 0.824943 0.880027 Te\n0.565960 0.675057 0.119973 Te\n0.602899 0.454672 0.379192 Te\n0.223706 0.045328 0.620808 Te\n0.397101 0.545328 0.620808 Te\n0.236979 0.459573 0.296322 O\n0.940657 0.040427 0.703678 O\n0.499596 0.363143 0.495131 O\n0.944995 0.654093 0.105147 O\n0.004465 0.136857 0.504869 O\n0.500404 0.636857 0.504869 O\n0.995535 0.863144 0.495131 O\n0.644968 0.241785 0.292930 O\n0.352037 0.258215 0.707070 O\n0.355032 0.758215 0.707070 O\n0.059343 0.959574 0.296322 O\n0.647962 0.741785 0.292930 O\n0.480432 0.136262 0.906888 O\n0.426455 0.636262 0.906888 O\n0.519568 0.863738 0.093112 O\n0.160152 0.154093 0.105148 O\n0.055005 0.345908 0.894853 O\n0.839847 0.845908 0.894853 O\n0.573545 0.363738 0.093112 O\n0.763020 0.540427 0.703678 O\n",
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{
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"structure_string": "Nd6 Cu2 Sn2 S14\n1.0\n5.073478 -8.787522 -0.000000\n5.073478 8.787522 -0.000000\n0.000000 0.000000 6.096970\nNd Cu Sn S\n6 2 2 14\ndirect\n0.781108 0.642174 0.260367 Nd\n0.861066 0.218893 0.260367 Nd\n0.218893 0.357827 0.760367 Nd\n0.642174 0.861066 0.760367 Nd\n0.138934 0.781108 0.760367 Nd\n0.357827 0.138934 0.260367 Nd\n0.000000 0.000000 0.702103 Cu\n0.000000 0.000000 0.202103 Cu\n0.666667 0.333333 0.832564 Sn\n0.333333 0.666667 0.332564 Sn\n0.154138 0.256446 0.219858 S\n0.483985 0.570060 0.504690 S\n0.102308 0.845862 0.219858 S\n0.256446 0.102308 0.719858 S\n0.666667 0.333333 0.442587 S\n0.333333 0.666667 0.942587 S\n0.897693 0.154138 0.719858 S\n0.429941 0.913925 0.504690 S\n0.743554 0.897693 0.219858 S\n0.516016 0.429941 0.004690 S\n0.570060 0.086076 0.004690 S\n0.913925 0.483985 0.004690 S\n0.086075 0.516016 0.504690 S\n0.845862 0.743554 0.719858 S\n",
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{
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"created_at": "2022-09-04T14:36:09.267655Z",
"updated_at": "2022-09-04T14:36:09.267676Z",
"structure_string": "Ca2 H24 I4 O28\n1.0\n8.672033 2.765854 -5.028183\n-8.672033 2.765854 5.028183\n-0.040495 0.000000 11.356444\nCa H I O\n2 24 4 28\ndirect\n0.567727 0.567727 0.750000 Ca\n0.432272 0.432272 0.250000 Ca\n0.956199 0.888677 0.155070 H\n0.111321 0.043800 0.655070 H\n0.043800 0.111322 0.844929 H\n0.621828 0.784418 0.350149 H\n0.784418 0.621828 0.149851 H\n0.378170 0.215581 0.649851 H\n0.215580 0.378171 0.850148 H\n0.355623 0.119393 0.171281 H\n0.119393 0.355623 0.328719 H\n0.644375 0.880606 0.828719 H\n0.880606 0.644376 0.671280 H\n0.281369 0.211243 0.035669 H\n0.211243 0.281369 0.464331 H\n0.718630 0.788756 0.964331 H\n0.788755 0.718630 0.535668 H\n0.852362 0.516043 0.483301 H\n0.516043 0.852362 0.016698 H\n0.147636 0.483956 0.516698 H\n0.483955 0.147637 0.983301 H\n0.159751 0.643204 0.690166 H\n0.643204 0.159751 0.809833 H\n0.840247 0.356795 0.309833 H\n0.356795 0.840248 0.190167 H\n0.888677 0.956199 0.344929 H\n0.415150 0.059410 0.521834 I\n0.059410 0.415151 0.978165 I\n0.940589 0.584848 0.021835 I\n0.584848 0.940589 0.478165 I\n0.775523 0.715525 0.138972 O\n0.284474 0.224476 0.638971 O\n0.224476 0.284474 0.861028 O\n0.297209 0.172207 0.137306 O\n0.172207 0.297209 0.362694 O\n0.702789 0.827792 0.862693 O\n0.827791 0.702790 0.637306 O\n0.362418 0.936713 0.385658 O\n0.936713 0.362418 0.114342 O\n0.637580 0.063286 0.614342 O\n0.063285 0.637581 0.885657 O\n0.685151 0.402268 0.420754 O\n0.402268 0.685151 0.079246 O\n0.597730 0.314848 0.920753 O\n0.120836 0.704091 0.597103 O\n0.704091 0.120837 0.902896 O\n0.879162 0.295908 0.402896 O\n0.295908 0.879162 0.097103 O\n0.522223 0.183058 0.665536 O\n0.183057 0.522223 0.834464 O\n0.477776 0.816941 0.334464 O\n0.816941 0.477776 0.165536 O\n0.203094 0.038336 0.406469 O\n0.038336 0.203094 0.093531 O\n0.796904 0.961663 0.593530 O\n0.961662 0.796905 0.906469 O\n0.314847 0.597731 0.579246 O\n0.715525 0.775523 0.361028 O\n",
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{
"id": "jvasp-10267",
"created_at": "2022-09-04T14:38:11.463099Z",
"updated_at": "2022-09-04T14:38:11.463131Z",
"structure_string": "K10 As4 Au2\n1.0\n2.849213 -4.934982 -0.000000\n2.849213 4.934982 0.000000\n-0.000000 -0.000000 19.333929\nK As Au\n10 4 2\ndirect\n0.333333 0.666666 0.549702 K\n0.666666 0.333333 0.049702 K\n0.666666 0.333333 0.450298 K\n0.333333 0.666666 0.950298 K\n0.000000 0.000000 0.148006 K\n0.000000 0.000000 0.648006 K\n0.000000 0.000000 0.851994 K\n0.000000 0.000000 0.351994 K\n0.333333 0.666666 0.750000 K\n0.666666 0.333333 0.250000 K\n0.333333 0.666666 0.119724 As\n0.666666 0.333333 0.619724 As\n0.333333 0.666666 0.380276 As\n0.666666 0.333333 0.880276 As\n0.666666 0.333333 0.750000 Au\n0.333333 0.666666 0.250000 Au\n",
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{
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"created_at": "2022-09-04T14:37:10.248961Z",
"updated_at": "2022-09-04T14:37:10.248984Z",
"structure_string": "Na12 Mn2 Se8\n1.0\n4.670653 -8.089808 -0.000000\n4.670653 8.089808 -0.000000\n-0.000000 0.000000 7.198729\nNa Mn Se\n12 2 8\ndirect\n0.294132 0.147066 0.460217 Na\n0.939720 0.469860 0.129781 Na\n0.469860 0.939720 0.629781 Na\n0.530140 0.060280 0.129781 Na\n0.530140 0.469860 0.129781 Na\n0.060280 0.530140 0.629781 Na\n0.469860 0.530140 0.629781 Na\n0.852933 0.147066 0.460217 Na\n0.852933 0.705867 0.460217 Na\n0.147066 0.294132 0.960217 Na\n0.147066 0.852933 0.960217 Na\n0.705867 0.852933 0.960217 Na\n0.666667 0.333333 0.748216 Mn\n0.333333 0.666667 0.248216 Mn\n0.814651 0.185348 0.857427 Se\n0.666667 0.333333 0.397211 Se\n0.333333 0.666667 0.897211 Se\n0.370697 0.185349 0.857427 Se\n0.185348 0.814651 0.357427 Se\n0.185349 0.370697 0.357427 Se\n0.814651 0.629302 0.857427 Se\n0.629302 0.814651 0.357427 Se\n",
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