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{
"id": "jvasp-29523",
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"structure_string": "Bi4 Te4 W2 O20\n1.0\n5.632874 0.000000 -0.000000\n-2.816437 6.283831 -0.085120\n-0.000000 0.026467 12.306690\nBi Te W O\n4 4 2 20\ndirect\n0.154925 0.813916 0.452623 Bi\n0.658991 0.813916 0.952623 Bi\n0.341008 0.186084 0.047376 Bi\n0.845074 0.186084 0.547377 Bi\n0.459913 0.389916 0.357160 Te\n0.540086 0.610084 0.642840 Te\n0.930002 0.389916 0.857160 Te\n0.069997 0.610084 0.142840 Te\n0.810861 0.000000 0.250000 W\n0.189139 0.000000 0.750000 W\n0.501822 0.221545 0.738281 O\n0.906486 0.006310 0.399074 O\n0.772985 0.559174 0.049318 O\n0.280275 0.778455 0.761719 O\n0.985178 0.763067 0.256594 O\n0.227014 0.440826 0.950682 O\n0.684337 0.155269 0.938369 O\n0.498177 0.778455 0.261719 O\n0.014821 0.236933 0.743406 O\n0.213809 0.440826 0.450682 O\n0.093513 0.993690 0.600926 O\n0.099823 0.006310 0.899074 O\n0.777887 0.763067 0.756594 O\n0.470931 0.155269 0.438369 O\n0.222112 0.236933 0.243406 O\n0.900176 0.993690 0.100926 O\n0.529068 0.844732 0.561631 O\n0.315662 0.844731 0.061631 O\n0.786190 0.559175 0.549318 O\n0.719724 0.221545 0.238281 O\n",
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{
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"structure_string": "Mn4 Mo2 P24\n1.0\n5.548957 0.000000 1.574488\n2.035770 7.588837 3.390671\n-0.003809 -0.006361 10.578745\nMn Mo P\n4 2 24\ndirect\n0.628239 0.315552 0.045426 Mn\n0.989217 0.184448 0.454574 Mn\n0.371761 0.684448 0.954574 Mn\n0.010783 0.815552 0.545426 Mn\n0.695554 0.750000 0.250000 Mo\n0.304446 0.250000 0.750000 Mo\n0.299347 0.956023 0.166775 P\n0.422145 0.543978 0.333225 P\n0.001989 0.979264 0.664201 P\n0.645455 0.520736 0.835798 P\n0.998011 0.020736 0.335798 P\n0.354545 0.479264 0.164202 P\n0.668297 0.770722 0.996627 P\n0.435645 0.729279 0.503372 P\n0.331703 0.229278 0.003372 P\n0.050687 0.621254 0.924272 P\n0.923039 0.140363 0.925754 P\n0.010845 0.640363 0.425754 P\n0.076961 0.859638 0.074246 P\n0.023581 0.564663 0.740446 P\n0.328689 0.935338 0.759553 P\n0.976419 0.435338 0.259553 P\n0.671311 0.064662 0.240447 P\n0.577855 0.456023 0.666775 P\n0.700653 0.043978 0.833225 P\n0.403788 0.121253 0.424272 P\n0.949314 0.378747 0.075728 P\n0.596212 0.878747 0.575728 P\n0.989155 0.359638 0.574246 P\n0.564355 0.270722 0.496627 P\n",
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{
"id": "jvasp-22789",
"created_at": "2022-09-04T14:37:40.621568Z",
"updated_at": "2022-09-04T14:37:40.621594Z",
"structure_string": "Ba6 Pr2 Ru4 O18\n1.0\n2.988020 -5.175402 -0.000000\n2.988020 5.175402 0.000000\n-0.000000 0.000000 14.981348\nBa Pr Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.602896 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333333 0.397104 Ba\n0.666667 0.333333 0.102896 Ba\n0.333333 0.666667 0.897104 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.166525 Ru\n0.666667 0.333333 0.666525 Ru\n0.666667 0.333333 0.833475 Ru\n0.333333 0.666667 0.333475 Ru\n0.020685 0.510342 0.250000 O\n0.979315 0.489658 0.750000 O\n0.510343 0.489658 0.750000 O\n0.489658 0.979315 0.250000 O\n0.179009 0.358019 0.406510 O\n0.820991 0.179009 0.906510 O\n0.358019 0.179009 0.906510 O\n0.641981 0.820991 0.406510 O\n0.641981 0.820991 0.093490 O\n0.820991 0.641981 0.593490 O\n0.820991 0.179009 0.593490 O\n0.820991 0.641981 0.906510 O\n0.358019 0.179009 0.593490 O\n0.489658 0.510343 0.250000 O\n0.179009 0.358019 0.093490 O\n0.179009 0.820991 0.093490 O\n0.179009 0.820991 0.406510 O\n0.510342 0.020685 0.750000 O\n",
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{
"id": "jvasp-23216",
"created_at": "2022-09-04T14:37:39.876328Z",
"updated_at": "2022-09-04T14:37:39.876348Z",
"structure_string": "Ba6 Co2 Sb4 O18\n1.0\n2.930853 -5.076386 -0.000000\n2.930853 5.076386 -0.000000\n-0.000000 0.000000 14.468340\nBa Co Sb O\n6 2 4 18\ndirect\n0.333332 0.666667 0.411914 Ba\n0.666667 0.333332 0.911914 Ba\n0.666667 0.333332 0.588086 Ba\n0.333332 0.666667 0.088086 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333332 0.666667 0.649687 Sb\n0.666667 0.333332 0.149687 Sb\n0.666667 0.333332 0.350313 Sb\n0.333332 0.666667 0.850313 Sb\n0.516110 0.483889 0.250000 O\n0.967778 0.483888 0.250000 O\n0.516111 0.032221 0.250000 O\n0.483889 0.516110 0.750000 O\n0.164306 0.835693 0.580953 O\n0.835693 0.671387 0.080953 O\n0.328612 0.164306 0.080953 O\n0.671387 0.835693 0.580953 O\n0.671387 0.835693 0.919047 O\n0.835693 0.164306 0.419047 O\n0.835693 0.671387 0.419047 O\n0.835693 0.164306 0.080953 O\n0.328612 0.164306 0.419047 O\n0.483888 0.967778 0.750000 O\n0.164306 0.835693 0.919047 O\n0.164306 0.328612 0.919047 O\n0.164306 0.328612 0.580953 O\n0.032221 0.516111 0.750000 O\n",
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{
"id": "jvasp-24554",
"created_at": "2022-09-04T14:37:08.904928Z",
"updated_at": "2022-09-04T14:37:08.904960Z",
"structure_string": "K10 Th2 F18\n1.0\n7.519690 0.033345 0.000000\n-3.399643 6.707404 0.000000\n0.000000 -0.000000 10.530216\nK Th F\n10 2 18\ndirect\n0.579036 0.420964 0.793778 K\n0.420964 0.579036 0.293778 K\n0.118605 0.399211 0.947773 K\n0.881395 0.600790 0.447773 K\n0.600790 0.881395 0.947773 K\n0.399211 0.118606 0.447773 K\n0.146621 0.348750 0.600922 K\n0.853379 0.651250 0.100921 K\n0.651250 0.853379 0.600922 K\n0.348751 0.146621 0.100921 K\n0.162973 0.837027 0.748669 Th\n0.837028 0.162973 0.248669 Th\n0.648969 0.351032 0.276127 F\n0.351032 0.648968 0.776127 F\n0.801380 0.198621 0.464512 F\n0.053532 0.499170 0.229886 F\n0.043305 0.956695 0.583134 F\n0.251469 0.748531 0.544522 F\n0.748532 0.251469 0.044521 F\n0.521408 0.478593 0.541757 F\n0.478593 0.521408 0.041757 F\n0.211687 0.153327 0.817922 F\n0.788314 0.846673 0.317922 F\n0.846673 0.788314 0.817922 F\n0.153327 0.211686 0.317922 F\n0.499170 0.053533 0.729886 F\n0.500830 0.946468 0.229886 F\n0.946468 0.500830 0.729886 F\n0.956696 0.043305 0.083134 F\n0.198620 0.801379 0.964512 F\n",
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{
"id": "jvasp-98167",
"created_at": "2022-09-04T14:35:41.507647Z",
"updated_at": "2022-09-04T14:35:41.507675Z",
"structure_string": "Fe2 H16 Cl4 O8\n1.0\n5.464512 0.000000 -2.092345\n0.000000 6.906605 0.000000\n-0.001212 0.000000 8.409228\nFe H Cl O\n2 16 4 8\ndirect\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.370422 0.770902 -0.001049 H\n0.629578 0.270902 0.501048 H\n0.629578 0.229099 0.001048 H\n0.372138 0.774571 0.185264 H\n0.627862 0.274570 0.314735 H\n0.627862 0.225430 0.814735 H\n0.372138 0.725430 0.685265 H\n0.370422 0.729099 0.498952 H\n0.109491 0.426615 0.206600 H\n0.109491 0.073385 0.706600 H\n0.890509 0.573385 0.793400 H\n0.112676 0.073087 0.348035 H\n0.887324 0.573087 0.151965 H\n0.887324 0.926914 0.651965 H\n0.112676 0.426913 0.848035 H\n0.890509 0.926616 0.293400 H\n0.323136 0.262617 0.080268 Cl\n0.676864 0.762618 0.419731 Cl\n0.676864 0.737383 0.919732 Cl\n0.323136 0.237383 0.580268 Cl\n0.739514 0.280603 0.435146 O\n0.001359 0.500460 0.750206 O\n0.998641 0.000459 0.749794 O\n0.998641 0.499541 0.249794 O\n0.001359 0.999541 0.250206 O\n0.260486 0.719397 0.564853 O\n0.739514 0.219397 0.935147 O\n0.260485 0.780604 0.064853 O\n",
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{
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"structure_string": "Nb20 Al10\n1.0\n5.206993 0.000000 0.000000\n0.000000 10.008033 0.000000\n0.000000 0.000000 10.008033\nNb Al\n20 10\ndirect\n0.000000 0.464787 0.127944 Nb\n0.247711 0.318308 0.681692 Nb\n0.247711 0.681692 0.318308 Nb\n0.252289 0.818308 0.818308 Nb\n0.752289 0.681692 0.318308 Nb\n0.752289 0.318308 0.681692 Nb\n0.252289 0.181692 0.181692 Nb\n0.000000 0.872056 0.535212 Nb\n0.000000 0.127944 0.464787 Nb\n0.500000 0.035212 0.627944 Nb\n0.500000 0.964787 0.372056 Nb\n0.000000 0.535212 0.872056 Nb\n0.500000 0.627944 0.035212 Nb\n0.500000 0.372056 0.964787 Nb\n0.747711 0.818308 0.818308 Nb\n0.000000 0.603715 0.603715 Nb\n0.500000 0.896284 0.103716 Nb\n0.500000 0.103716 0.896284 Nb\n0.000000 0.396284 0.396284 Nb\n0.747711 0.181692 0.181692 Nb\n0.000000 0.738383 0.066881 Al\n0.000000 0.261616 0.933119 Al\n0.500000 0.566881 0.761616 Al\n0.500000 0.433119 0.238383 Al\n0.000000 0.066881 0.738383 Al\n0.500000 0.761616 0.566881 Al\n0.500000 0.238383 0.433119 Al\n0.000000 0.933119 0.261616 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n",
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{
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"structure_string": "Ba4 Zn2 H12 O12\n1.0\n6.557615 0.000000 -0.597324\n0.000000 5.737722 0.000000\n-0.918860 0.000000 9.848841\nBa Zn H O\n4 2 12 12\ndirect\n0.043701 0.502808 0.280714 Ba\n0.543700 -0.002809 0.780715 Ba\n-0.043701 0.497191 0.719285 Ba\n0.456299 0.002809 0.219286 Ba\n0.500000 0.500000 0.000000 Zn\n-0.000000 0.000000 0.500000 Zn\n0.754351 0.813031 0.106076 H\n0.254352 0.686968 0.606076 H\n0.245648 0.186969 0.893924 H\n0.037705 0.783882 0.988672 H\n0.537705 0.716117 0.488673 H\n0.745648 0.313031 0.393925 H\n0.462294 0.283882 0.511328 H\n-0.135091 0.288473 -0.002441 H\n0.364909 0.211527 0.497559 H\n0.135091 0.711526 0.002441 H\n0.635091 0.788473 0.502441 H\n-0.037705 0.216117 0.011328 H\n0.846330 0.290023 0.479987 O\n0.346330 0.209977 -0.020013 O\n0.581725 0.484198 0.774593 O\n0.081725 0.015802 0.274593 O\n0.418275 0.515802 0.225408 O\n0.629925 0.417398 0.216937 O\n0.129926 0.082601 0.716937 O\n0.870074 0.917398 0.283063 O\n0.370074 0.582601 0.783063 O\n0.653669 0.790023 0.020013 O\n-0.081725 -0.015802 0.725407 O\n0.153670 0.709977 0.520013 O\n",
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