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{
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"structure_string": "Ca4 Ta8 O24\n1.0\n5.385152 0.000000 0.000000\n0.000000 7.549823 0.000000\n0.000000 0.000000 11.171329\nCa Ta O\n4 8 24\ndirect\n0.541578 0.250000 0.042006 Ca\n0.458421 0.750000 0.957994 Ca\n0.958421 0.250000 0.542006 Ca\n0.041579 0.750000 0.457994 Ca\n0.538945 0.494264 0.358841 Ta\n0.461055 0.505736 0.641159 Ta\n0.461055 0.994264 0.641159 Ta\n0.961054 0.005736 0.858841 Ta\n0.038945 0.994264 0.141159 Ta\n0.538945 0.005736 0.358841 Ta\n0.038945 0.505736 0.141159 Ta\n0.961054 0.494264 0.858841 Ta\n0.770355 0.541954 0.024422 O\n0.872582 0.562280 0.288229 O\n0.372582 0.437720 0.211771 O\n0.127418 0.062280 0.711771 O\n0.627418 0.937720 0.788229 O\n0.270355 0.458045 0.475578 O\n0.667061 0.250000 0.378365 O\n0.729645 0.541954 0.524422 O\n0.167061 0.750000 0.121635 O\n0.332938 0.750000 0.621635 O\n0.832938 0.250000 0.878365 O\n0.446821 0.750000 0.354825 O\n0.946821 0.250000 0.145175 O\n0.553179 0.250000 0.645175 O\n0.229645 0.041954 0.975578 O\n0.053179 0.750000 0.854825 O\n0.627418 0.562280 0.788229 O\n0.872582 0.937720 0.288229 O\n0.372582 0.062280 0.211771 O\n0.770355 0.958045 0.024422 O\n0.270355 0.041954 0.475578 O\n0.229645 0.458045 0.975578 O\n0.127418 0.437720 0.711771 O\n0.729645 0.958045 0.524422 O\n",
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{
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"structure_string": "Cd4 P8 O24\n1.0\n7.478228 0.000000 0.000000\n0.000000 7.396209 0.000000\n0.000000 0.000000 8.512433\nCd P O\n4 8 24\ndirect\n0.856915 0.977724 0.796364 Cd\n0.356915 0.022276 0.703635 Cd\n0.643085 0.477724 0.203635 Cd\n0.143085 0.522276 0.296365 Cd\n0.163587 0.654409 0.906606 P\n0.663588 0.345591 0.593394 P\n0.440230 0.881350 0.336988 P\n0.336413 0.154409 0.093394 P\n0.059770 0.381350 0.663012 P\n0.559770 0.618650 0.836988 P\n0.940230 0.118650 0.163012 P\n0.836413 0.845591 0.406606 P\n0.396920 0.168387 0.927842 O\n0.364270 0.578553 0.903032 O\n0.922494 0.316903 0.203004 O\n0.077506 0.183097 0.703004 O\n0.864271 0.421447 0.596968 O\n0.853027 0.676654 0.308606 O\n0.603080 0.331613 0.427842 O\n0.442340 0.988871 0.173102 O\n0.646974 0.176654 0.691393 O\n0.577506 0.816904 0.796996 O\n0.810025 0.037981 0.048997 O\n0.557660 0.511129 0.673101 O\n0.689975 0.537981 0.951003 O\n0.057660 0.488871 0.826898 O\n0.942340 0.011129 0.326898 O\n0.135730 0.078553 0.096968 O\n0.103080 0.668387 0.072158 O\n0.146974 0.823346 0.808606 O\n0.189975 0.462019 0.548997 O\n0.353027 0.323346 0.191393 O\n0.310025 0.962019 0.451003 O\n0.896920 0.831613 0.572158 O\n0.422494 0.683097 0.296996 O\n0.635730 0.921447 0.403032 O\n",
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{
"id": "jvasp-63554",
"created_at": "2022-09-04T14:35:50.690076Z",
"updated_at": "2022-09-04T14:35:50.690102Z",
"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842629 0.003699\n7.642611 0.000000 0.000000\n0.000000 -0.030760 -9.706472\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991970 0.393721 0.836444 Ca\n0.008030 0.893721 0.663555 Ca\n0.008030 0.606279 0.163555 Ca\n0.991970 0.106279 0.336444 Ca\n0.529269 0.732425 0.915931 Si\n0.470731 0.232425 0.584068 Si\n0.470731 0.267575 0.084069 Si\n0.529269 0.767575 0.415931 Si\n0.428425 0.911363 0.159020 B\n0.571575 0.411363 0.340980 B\n0.571575 0.088637 0.840979 B\n0.428425 0.588637 0.659020 B\n0.809999 0.535134 0.577354 H\n0.190001 0.035134 0.922646 H\n0.809999 0.964866 0.077354 H\n0.190001 0.464866 0.422646 H\n0.678288 0.335251 0.211212 O\n0.261007 0.413739 0.336696 O\n0.738994 0.913739 0.163304 O\n0.687385 0.588984 0.354286 O\n0.312615 0.088984 0.145714 O\n0.312615 0.411016 0.645714 O\n0.687385 0.911015 0.854286 O\n0.321712 0.835251 0.288788 O\n0.678288 0.164749 0.711212 O\n0.241711 0.095460 0.535986 O\n0.325914 0.697578 0.542353 O\n0.674086 0.197578 0.957647 O\n0.674086 0.302422 0.457647 O\n0.325914 0.802422 0.042353 O\n0.758289 0.904540 0.464013 O\n0.241711 0.404540 0.035986 O\n0.261007 0.086261 0.836696 O\n0.758289 0.595460 0.964013 O\n0.321712 0.664749 0.788788 O\n0.738994 0.586261 0.663304 O\n",
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{
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"created_at": "2022-09-04T14:35:55.512452Z",
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"structure_string": "Na2 Sn4 P6 O24\n1.0\n7.572103 -0.083713 4.850975\n2.610977 7.108203 4.850975\n-0.121355 -0.083713 8.991884\nNa Sn P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.499999 Na\n0.644949 0.644950 0.644949 Sn\n0.855050 0.855051 0.855049 Sn\n0.355050 0.355050 0.355050 Sn\n0.144950 0.144950 0.144950 Sn\n0.042963 0.750000 0.457036 P\n0.542963 0.957037 0.249999 P\n0.249999 0.542964 0.957036 P\n0.457036 0.042964 0.749999 P\n0.957036 0.250001 0.542962 P\n0.750000 0.457037 0.042963 P\n0.618359 0.012849 0.790870 O\n0.881639 0.709130 0.487151 O\n0.709129 0.487152 0.881639 O\n0.487152 0.881640 0.709128 O\n0.012848 0.790871 0.618360 O\n0.790871 0.618360 0.012847 O\n0.773021 0.418073 0.562621 O\n0.512848 0.118361 0.290870 O\n0.418072 0.562622 0.773021 O\n0.562621 0.773022 0.418071 O\n0.937377 0.081928 0.726978 O\n0.081927 0.726979 0.937378 O\n0.726978 0.937378 0.081927 O\n0.226978 0.581928 0.437378 O\n0.290871 0.512848 0.118360 O\n0.581927 0.437379 0.226978 O\n0.062622 0.918072 0.273021 O\n0.918072 0.273022 0.062621 O\n0.273021 0.062622 0.918072 O\n0.381640 0.987152 0.209128 O\n0.209129 0.381640 0.987151 O\n0.987151 0.209130 0.381639 O\n0.437378 0.226979 0.581927 O\n0.118360 0.290871 0.512848 O\n",
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{
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"created_at": "2022-09-04T14:35:47.691477Z",
"updated_at": "2022-09-04T14:35:47.691496Z",
"structure_string": "Mn4 I8 O24\n1.0\n4.896125 0.000000 0.000000\n0.000000 9.690136 -5.612968\n0.000000 -0.032106 11.178680\nMn I O\n4 8 24\ndirect\n0.310518 0.509661 0.755405 Mn\n0.810519 0.490339 0.244595 Mn\n0.810454 0.990334 0.244567 Mn\n0.310453 0.009666 0.755432 Mn\n0.245569 0.667879 0.099359 I\n0.245613 0.167879 0.099378 I\n0.255407 0.664367 0.568529 I\n0.255346 0.164354 0.568547 I\n0.745570 0.332121 0.900640 I\n0.755346 0.835646 0.431453 I\n0.755407 0.335633 0.431471 I\n0.745614 0.832121 0.900622 I\n0.093657 0.643904 0.935808 O\n0.033207 0.318139 0.224456 O\n0.049813 0.028995 0.107245 O\n0.071593 0.049430 0.617756 O\n0.049801 0.528979 0.107207 O\n0.081728 0.827594 0.697702 O\n0.033846 0.632390 0.419638 O\n0.549801 0.471021 0.892793 O\n0.581733 0.672394 0.302297 O\n0.533773 0.867648 0.580349 O\n0.093630 0.143903 0.935840 O\n0.533089 0.181887 0.775585 O\n0.533207 0.681861 0.775543 O\n0.571594 0.950570 0.382244 O\n0.071727 0.549396 0.617702 O\n0.533846 0.367610 0.580362 O\n0.081732 0.327606 0.697702 O\n0.549814 0.971005 0.892755 O\n0.593657 0.356096 0.064192 O\n0.571728 0.450604 0.382298 O\n0.033773 0.132352 0.419651 O\n0.593631 0.856097 0.064160 O\n0.581729 0.172406 0.302298 O\n0.033089 0.818113 0.224415 O\n",
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"structure_string": "Sr4 Li4 Co4 F24\n1.0\n5.202844 0.000000 -0.184147\n0.000000 8.663208 0.000000\n0.028578 0.000000 10.249571\nSr Li Co F\n4 4 4 24\ndirect\n0.253280 0.283541 0.500287 Sr\n0.746719 0.783541 -0.000287 Sr\n0.253280 0.216459 0.000287 Sr\n0.746720 0.716459 0.499713 Sr\n0.284290 0.918701 0.740088 Li\n0.715710 0.418701 0.759912 Li\n0.715710 0.081299 0.259912 Li\n0.284289 0.581299 0.240088 Li\n0.783361 0.418043 0.251684 Co\n0.216639 0.918043 0.248316 Co\n0.783361 0.081957 0.751684 Co\n0.216639 0.581957 0.748316 Co\n0.072139 0.092563 0.649546 F\n0.491118 0.547258 0.638263 F\n0.391676 0.774943 0.351225 F\n0.508881 0.452742 0.361737 F\n0.009587 0.456542 0.639448 F\n0.072139 0.407437 0.149546 F\n0.608323 0.225057 0.648774 F\n0.009587 0.043458 0.139448 F\n0.363902 0.421542 0.847116 F\n0.990412 0.543458 0.360551 F\n0.879637 0.249553 0.354967 F\n0.636097 0.578458 0.152884 F\n0.990412 0.956542 0.860551 F\n0.491118 0.952742 0.138263 F\n0.636098 0.921542 0.652884 F\n0.363902 0.078458 0.347116 F\n0.120363 0.750448 0.645033 F\n0.508882 0.047258 0.861737 F\n0.879637 0.250448 0.854967 F\n0.927861 0.907437 0.350454 F\n0.120363 0.749553 0.145033 F\n0.391677 0.725058 0.851225 F\n0.927861 0.592564 0.850454 F\n0.608323 0.274943 0.148774 F\n",
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"structure_string": "Yb20 Si16\n1.0\n7.434637 -0.000000 0.000000\n-0.000000 7.797421 0.000000\n0.000000 0.000000 15.335237\nYb Si\n20 16\ndirect\n0.817213 0.318878 0.622675 Yb\n0.317212 0.181122 0.622675 Yb\n0.817213 0.318878 0.877325 Yb\n0.182788 0.681122 0.377325 Yb\n0.682788 0.818878 0.122675 Yb\n0.970100 0.820796 0.597413 Yb\n0.470100 0.679204 0.902588 Yb\n0.682788 0.818878 0.377325 Yb\n0.529900 0.320796 0.402588 Yb\n0.029900 0.179204 0.402588 Yb\n0.529900 0.320796 0.097413 Yb\n0.470100 0.679204 0.597413 Yb\n0.970100 0.820796 0.902588 Yb\n0.359423 0.008693 0.250000 Yb\n0.859424 0.491307 0.250000 Yb\n0.029900 0.179204 0.097413 Yb\n0.182788 0.681122 0.122675 Yb\n0.640577 0.991307 0.750000 Yb\n0.317212 0.181122 0.877325 Yb\n0.140577 0.508693 0.750000 Yb\n0.360297 0.974486 0.037055 Si\n0.639703 0.025514 0.537055 Si\n0.139703 0.474486 0.962945 Si\n0.139703 0.474486 0.537055 Si\n0.639703 0.025514 0.962945 Si\n0.360297 0.974486 0.462945 Si\n0.860297 0.525514 0.037055 Si\n0.973556 0.904476 0.250000 Si\n0.526445 0.404476 0.750000 Si\n0.026445 0.095524 0.750000 Si\n0.251148 0.378097 0.250000 Si\n0.751148 0.121903 0.250000 Si\n0.248852 0.878097 0.750000 Si\n0.748853 0.621903 0.750000 Si\n0.473556 0.595524 0.250000 Si\n0.860297 0.525514 0.462945 Si\n",
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{
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