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{
"id": "jvasp-63195",
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"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842603 0.002245\n7.642604 0.000000 0.000000\n0.000000 -0.033624 -9.706613\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991983 0.393728 0.836445 Ca\n0.008018 0.893728 0.663556 Ca\n0.008018 0.606271 0.163556 Ca\n0.991982 0.106272 0.336445 Ca\n0.529259 0.732419 0.915938 Si\n0.470742 0.232420 0.584062 Si\n0.470741 0.267580 0.084062 Si\n0.529258 0.767580 0.415938 Si\n0.428421 0.911368 0.159027 B\n0.571579 0.411368 0.340973 B\n0.571579 0.088632 0.840973 B\n0.428421 0.588631 0.659027 B\n0.810016 0.535134 0.577367 H\n0.189984 0.035134 0.922633 H\n0.810016 0.964865 0.077367 H\n0.189984 0.464865 0.422633 H\n0.678306 0.335265 0.211203 O\n0.261005 0.413739 0.336686 O\n0.738995 0.913739 0.163314 O\n0.687372 0.588990 0.354290 O\n0.312628 0.088990 0.145711 O\n0.312629 0.411009 0.645711 O\n0.687372 0.911009 0.854289 O\n0.321693 0.835265 0.288798 O\n0.678307 0.164734 0.711203 O\n0.241715 0.095461 0.535979 O\n0.325916 0.697576 0.542363 O\n0.674084 0.197576 0.957637 O\n0.674084 0.302423 0.457637 O\n0.325916 0.802423 0.042364 O\n0.758286 0.904538 0.464022 O\n0.241714 0.404538 0.035979 O\n0.261005 0.086261 0.836686 O\n0.758286 0.595461 0.964022 O\n0.321694 0.664734 0.788797 O\n0.738995 0.586260 0.663314 O\n",
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{
"id": "jvasp-88512",
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"updated_at": "2022-09-04T14:35:46.315102Z",
"structure_string": "Nb8 Fe4 O24\n1.0\n5.066962 -0.000000 0.000000\n-0.000000 5.627102 0.000000\n0.000000 0.000000 13.751896\nNb Fe O\n8 4 24\ndirect\n0.721965 0.183988 0.844457 Nb\n0.278034 0.816012 0.155543 Nb\n0.778034 0.683988 0.344457 Nb\n0.221965 0.816012 0.844457 Nb\n0.221965 0.316012 0.655543 Nb\n0.278034 0.316012 0.344457 Nb\n0.778034 0.183988 0.155543 Nb\n0.721965 0.683988 0.655543 Nb\n0.750000 0.136921 0.500000 Fe\n0.250000 0.863078 0.500000 Fe\n0.750000 0.636921 0.000000 Fe\n0.250000 0.363079 0.000000 Fe\n0.391566 0.118011 0.913037 O\n0.075993 0.615514 0.072103 O\n0.575993 0.884485 0.427897 O\n0.424006 0.615514 0.927897 O\n0.924006 0.884485 0.572103 O\n0.891565 0.381988 0.586963 O\n0.946014 0.387502 0.256956 O\n0.108434 0.618011 0.413037 O\n0.446015 0.112498 0.243044 O\n0.553985 0.387502 0.743045 O\n0.053985 0.112498 0.756956 O\n0.053985 0.612498 0.743045 O\n0.553985 0.887502 0.756956 O\n0.446015 0.612498 0.256956 O\n0.108434 0.118011 0.086963 O\n0.946014 0.887502 0.243044 O\n0.424006 0.115514 0.572103 O\n0.575993 0.384486 0.072103 O\n0.075993 0.115514 0.427897 O\n0.891565 0.881988 0.913037 O\n0.391566 0.618011 0.586963 O\n0.608434 0.881988 0.086963 O\n0.924006 0.384486 0.927897 O\n0.608434 0.381988 0.413037 O\n",
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{
"id": "jvasp-62733",
"created_at": "2022-09-04T14:35:45.454643Z",
"updated_at": "2022-09-04T14:35:45.454653Z",
"structure_string": "B4 Pb12 O16 F4\n1.0\n6.501188 0.000000 0.000000\n-0.000000 7.683158 0.000000\n0.000000 0.000000 12.110200\nB Pb O F\n4 12 16 4\ndirect\n0.250000 0.978322 0.500000 B\n0.750000 0.021678 0.000000 B\n0.750000 0.021678 0.500000 B\n0.250000 0.978322 0.000000 B\n0.450762 0.891647 0.750000 Pb\n0.549238 0.108353 0.250000 Pb\n0.950763 0.108353 0.750000 Pb\n0.049238 0.891647 0.250000 Pb\n0.470564 0.333071 0.895031 Pb\n0.529436 0.666929 0.395031 Pb\n0.970565 0.666929 0.604969 Pb\n0.470564 0.333071 0.604969 Pb\n0.529436 0.666929 0.104969 Pb\n0.970565 0.666929 0.895031 Pb\n0.029436 0.333071 0.395031 Pb\n0.029436 0.333071 0.104969 Pb\n0.203405 0.067813 0.096361 O\n0.750000 0.202666 0.000000 O\n0.250000 0.797334 0.500000 O\n0.250000 0.797334 0.000000 O\n0.750000 0.202666 0.500000 O\n0.703405 0.932187 0.403639 O\n0.296595 0.067813 0.903639 O\n0.796595 0.932187 0.596361 O\n0.090068 0.806360 0.750000 O\n0.703405 0.932187 0.096361 O\n0.796595 0.932187 0.903639 O\n0.203405 0.067813 0.403639 O\n0.590068 0.193640 0.750000 O\n0.409932 0.806360 0.250000 O\n0.909932 0.193640 0.250000 O\n0.296595 0.067813 0.596361 O\n0.804906 0.578113 0.250000 F\n0.304906 0.421887 0.250000 F\n0.695094 0.578113 0.750000 F\n0.195094 0.421887 0.750000 F\n",
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{
"id": "jvasp-62327",
"created_at": "2022-09-04T14:35:42.848609Z",
"updated_at": "2022-09-04T14:35:42.848627Z",
"structure_string": "Na2 Al2 B2 P4 H6 O20\n1.0\n4.001468 5.214294 -0.002673\n-4.001468 5.214294 -0.002673\n0.000000 4.126659 8.072413\nNa Al B P H O\n2 2 2 4 6 20\ndirect\n0.135133 0.864866 0.250000 Na\n0.864866 0.135134 0.750000 Na\n-0.000000 0.500000 0.000000 Al\n0.500000 -0.000000 0.500000 Al\n0.530917 0.469082 0.250000 B\n0.469082 0.530917 0.750000 B\n0.289867 0.156529 0.819333 P\n0.843470 0.710132 0.680667 P\n0.156529 0.289867 0.319334 P\n0.710132 0.843470 0.180667 P\n-0.000000 0.500000 0.500000 H\n0.314005 0.676276 0.565538 H\n0.676276 0.314004 0.065538 H\n0.685995 0.323723 0.434462 H\n0.323723 0.685995 0.934462 H\n0.500000 -0.000000 0.000000 H\n0.635303 0.042467 0.043492 O\n0.957532 0.364696 0.456508 O\n0.364696 0.957532 0.956508 O\n0.042467 0.635303 0.543492 O\n0.933291 0.715287 0.108885 O\n0.284712 0.066708 0.391116 O\n0.066708 0.284712 0.891115 O\n0.715287 0.933291 0.608885 O\n0.078805 0.274495 0.184841 O\n0.274495 0.078805 0.684841 O\n0.921195 0.725504 0.815160 O\n0.528204 0.689193 0.256572 O\n0.310806 0.471795 0.243428 O\n0.689193 0.528204 0.756572 O\n0.432700 0.700661 0.597640 O\n0.299339 0.567299 0.902360 O\n0.567299 0.299338 0.402360 O\n0.700661 0.432700 0.097641 O\n0.725504 0.921194 0.315160 O\n0.471795 0.310806 0.743428 O\n",
"nsites": 36,
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{
"id": "jvasp-98028",
"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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"created_at": "2022-09-04T14:35:40.977472Z",
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"structure_string": "H24 O12\n1.0\n3.942225 0.000408 -0.002416\n-0.000597 7.951163 0.000006\n0.004926 0.000008 8.167990\nH O\n24 12\ndirect\n0.267899 0.072383 0.848807 H\n0.982043 0.572387 0.151235 H\n0.290837 0.779214 0.713954 H\n0.144334 0.954716 0.096555 H\n0.959081 0.279251 0.286077 H\n0.692925 0.281236 0.775642 H\n0.482028 0.927645 0.348819 H\n0.246066 0.340188 0.417094 H\n0.556998 0.781225 0.224421 H\n0.398522 0.409371 0.034206 H\n0.767886 0.427642 0.651224 H\n0.057007 0.718790 0.275651 H\n0.851361 0.909361 0.965825 H\n0.003879 0.840171 0.582934 H\n0.746047 0.159845 0.082920 H\n0.351382 0.590647 0.534205 H\n0.105533 0.454734 0.903485 H\n0.790826 0.720766 0.786094 H\n0.898577 0.090659 0.465824 H\n0.459081 0.220799 0.213937 H\n0.192928 0.218801 0.724412 H\n0.503841 0.659834 0.917112 H\n0.644379 0.545292 0.403484 H\n0.605602 0.045309 0.596554 H\n0.370547 0.134320 0.754202 O\n0.111589 0.739851 0.636491 O\n0.501069 0.497829 0.493388 O\n0.638321 0.260163 0.136473 O\n0.870525 0.365719 0.745846 O\n0.748898 0.997847 0.506647 O\n0.879396 0.634312 0.245852 O\n0.001039 0.002176 0.006643 O\n0.248837 0.502193 0.993395 O\n0.611585 0.760143 0.863553 O\n0.138332 0.239877 0.363535 O\n0.379385 0.865710 0.254209 O\n",
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{
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"structure_string": "Na8 Si8 Se20\n1.0\n9.407271 0.017164 -0.000000\n-0.142015 9.406214 -0.000000\n-0.000000 -0.000000 10.910855\nNa Si Se\n8 8 20\ndirect\n0.073313 0.417632 0.750000 Na\n0.926687 0.582368 0.250000 Na\n0.417632 0.073313 0.750000 Na\n0.582369 0.926686 0.250000 Na\n0.149015 0.850984 0.500000 Na\n0.850985 0.149015 0.000000 Na\n0.850985 0.149015 0.500000 Na\n0.149015 0.850984 0.000000 Na\n0.254294 0.254294 0.080618 Si\n0.745706 0.745705 0.580618 Si\n0.254294 0.254294 0.419382 Si\n0.745706 0.745705 0.919381 Si\n0.410366 0.682677 0.750000 Si\n0.317323 0.589634 0.250000 Si\n0.682678 0.410365 0.750000 Si\n0.589634 0.317322 0.250000 Si\n0.208594 0.496628 0.075354 Se\n0.496628 0.208594 0.075354 Se\n0.503372 0.791405 0.575354 Se\n0.208594 0.496628 0.424646 Se\n0.791406 0.503371 0.924645 Se\n0.503372 0.791405 0.924645 Se\n0.496628 0.208594 0.424646 Se\n0.791406 0.503371 0.575354 Se\n0.150254 0.150254 0.250000 Se\n0.178539 0.725607 0.750000 Se\n0.155665 0.155665 0.914719 Se\n0.844335 0.844334 0.414719 Se\n0.155665 0.155665 0.585280 Se\n0.844335 0.844334 0.085280 Se\n0.725607 0.178538 0.750000 Se\n0.274393 0.821461 0.250000 Se\n0.440960 0.440960 0.750000 Se\n0.821461 0.274392 0.250000 Se\n0.849746 0.849745 0.750000 Se\n0.559040 0.559039 0.250000 Se\n",
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{
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"structure_string": "H24 Au2 C8 N2\n1.0\n7.591195 0.000000 0.000000\n0.000000 7.591195 0.000000\n0.000000 -0.000000 5.438455\nH Au C N\n24 2 8 2\ndirect\n0.842467 0.119124 0.724672 H\n0.000000 0.278043 0.040889 H\n0.000000 0.721956 0.040889 H\n0.778043 0.500000 0.040889 H\n0.221956 0.500000 0.040889 H\n0.500000 0.221956 0.959112 H\n0.500000 0.778043 0.959112 H\n0.721956 0.000000 0.959112 H\n0.619124 0.342467 0.724672 H\n0.380875 0.657532 0.724672 H\n0.842467 0.880875 0.724672 H\n0.157532 0.119124 0.724672 H\n0.278043 0.000000 0.959112 H\n0.880875 0.842467 0.275329 H\n0.342467 0.619124 0.275329 H\n0.657532 0.380875 0.275329 H\n0.880875 0.157532 0.275329 H\n0.119124 0.842467 0.275329 H\n0.657532 0.619124 0.275329 H\n0.342467 0.380875 0.275329 H\n0.380875 0.342467 0.724672 H\n0.619124 0.657532 0.724672 H\n0.157532 0.880875 0.724672 H\n0.119124 0.157532 0.275329 H\n0.000000 0.500000 0.643794 Au\n0.500000 0.000000 0.356207 Au\n0.839023 0.000000 0.839278 C\n0.160976 0.000000 0.839278 C\n0.500000 0.660976 0.839278 C\n0.500000 0.339024 0.839278 C\n0.339024 0.500000 0.160723 C\n0.660976 0.500000 0.160723 C\n0.000000 0.839023 0.160723 C\n0.000000 0.160976 0.160723 C\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
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{
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