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{
"id": "jvasp-97853",
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"structure_string": "Sn3 P1 O4 F3\n1.0\n5.988612 -0.257544 -4.009949\n-4.409692 5.357723 -2.853123\n-0.728106 -0.927368 7.033942\nSn P O F\n3 1 4 3\ndirect\n0.550512 0.718704 0.658545 Sn\n0.658381 0.541883 0.067466 Sn\n0.535609 0.140343 0.192194 Sn\n0.340616 0.788531 0.182964 P\n-0.104854 0.537086 -0.224280 O\n0.426516 0.623760 0.142976 O\n0.490301 -0.046219 0.541387 O\n0.289619 0.117369 0.812782 O\n0.042408 0.599424 0.526332 F\n0.841010 0.102082 0.223649 F\n0.130879 0.078037 0.076985 F\n",
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"structure_string": "Ag2 N2 O6\n1.0\n4.508827 -0.673828 5.488817\n1.340690 3.589556 5.025757\n0.311809 -0.116120 7.497970\nAg N O\n2 2 6\ndirect\n0.358130 0.545435 0.514501 Ag\n-0.647873 0.378100 0.157446 Ag\n0.806459 0.920896 0.458538 N\n-0.001231 -0.030100 0.676961 N\n0.929833 0.195523 0.181904 O\n0.651811 -0.165754 0.277741 O\n0.735243 -0.938621 0.766683 O\n0.506522 0.948069 -0.322719 O\n-0.031282 0.610453 0.540238 O\n-0.033808 0.809802 0.022507 O\n",
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{
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"updated_at": "2022-09-04T14:35:54.610349Z",
"structure_string": "Rb4 Mn4 F16\n1.0\n5.975074 0.000000 -0.081339\n0.000000 7.810571 0.000000\n0.017458 0.000000 7.860047\nRb Mn F\n4 4 16\ndirect\n0.521498 0.706255 0.252019 Rb\n0.478501 0.206255 0.247981 Rb\n0.478501 0.293745 0.747981 Rb\n0.521498 0.793745 0.752019 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.288340 0.567338 0.546426 F\n0.711660 0.432662 0.453575 F\n0.080667 0.514921 0.233891 F\n0.919332 0.014921 0.266109 F\n0.919332 0.485079 0.766110 F\n0.080667 0.985079 0.733891 F\n0.899139 0.731545 0.499393 F\n0.288997 0.944025 0.446565 F\n0.100860 0.268455 0.500607 F\n0.899139 0.768455 0.999393 F\n0.288339 0.932661 0.046425 F\n0.288997 0.555975 0.946565 F\n0.711002 0.055975 0.553435 F\n0.711660 0.067338 0.953575 F\n0.100860 0.231545 0.000607 F\n0.711002 0.444025 0.053435 F\n",
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{
"id": "jvasp-97856",
"created_at": "2022-09-04T14:35:53.439235Z",
"updated_at": "2022-09-04T14:35:53.439262Z",
"structure_string": "B2 H22 C8 Br2 N2 F8\n1.0\n5.634249 0.000000 -1.476690\n0.000000 7.609273 0.000000\n-0.041421 0.000000 9.329095\nB H C Br N F\n2 22 8 2 2 8\ndirect\n0.053402 0.750000 0.759320 B\n0.946598 0.250000 0.240680 B\n0.762249 0.415157 0.757792 H\n0.288888 0.596156 0.060371 H\n0.249655 0.369210 0.586170 H\n0.750345 0.630790 0.413831 H\n0.174411 0.368342 0.823641 H\n0.711112 0.096156 0.939630 H\n0.825589 0.868341 0.176360 H\n0.825589 0.631658 0.176360 H\n0.514180 0.527780 0.794146 H\n0.711112 0.403844 0.939630 H\n0.514180 0.972219 0.794146 H\n0.237751 0.915156 0.242208 H\n0.237751 0.584843 0.242208 H\n0.249655 0.130790 0.586170 H\n0.485820 0.472219 0.205855 H\n0.288888 0.903844 0.060371 H\n0.635878 0.750000 0.024314 H\n0.762249 0.084843 0.757792 H\n0.174411 0.131658 0.823641 H\n0.485820 0.027780 0.205855 H\n0.364122 0.250000 0.975686 H\n0.750345 0.869210 0.413831 H\n0.643426 0.750000 0.387025 C\n0.628222 0.412174 0.820608 C\n0.371778 0.912174 0.179393 C\n0.718607 0.750000 0.143350 C\n0.356575 0.250000 0.612975 C\n0.281394 0.250000 0.856651 C\n0.371778 0.587825 0.179393 C\n0.628222 0.087826 0.820608 C\n0.583912 0.250000 0.491361 Br\n0.416088 0.750000 0.508640 Br\n0.522504 0.750000 0.222910 N\n0.477496 0.250000 0.777090 N\n0.989539 0.097721 0.331042 F\n0.910583 0.750000 0.860731 F\n0.010461 0.597721 0.668959 F\n0.297444 0.750000 0.841447 F\n0.702556 0.250000 0.158554 F\n0.089418 0.250000 0.139270 F\n0.989539 0.402278 0.331042 F\n0.010461 0.902278 0.668959 F\n",
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{
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"created_at": "2022-09-04T14:38:11.592593Z",
"updated_at": "2022-09-04T14:38:11.592622Z",
"structure_string": "La12 S12 N4\n1.0\n4.167463 0.000000 0.000000\n0.000000 12.206143 0.000000\n0.000000 0.000000 13.202759\nLa S N\n12 12 4\ndirect\n0.749999 0.904435 0.375497 La\n0.250000 0.534106 0.348037 La\n0.250000 0.095565 0.624503 La\n0.749999 0.404435 0.124503 La\n0.749999 0.269797 0.370262 La\n0.250000 0.230203 0.870262 La\n0.250000 0.034106 0.151963 La\n0.749999 0.465894 0.651964 La\n0.250000 0.595565 0.875497 La\n0.250000 0.730203 0.629739 La\n0.749999 0.769796 0.129739 La\n0.749999 0.965894 0.848037 La\n0.749999 0.145643 0.002980 S\n0.749999 0.734112 0.794970 S\n0.250000 0.572362 0.107235 S\n0.749999 0.927638 0.607235 S\n0.250000 0.854357 0.997021 S\n0.250000 0.265887 0.205030 S\n0.250000 0.072362 0.392765 S\n0.749999 0.645643 0.497021 S\n0.749999 0.234112 0.705030 S\n0.250000 0.354357 0.502980 S\n0.250000 0.765887 0.294970 S\n0.749999 0.427638 0.892765 S\n0.749999 0.945458 0.201729 N\n0.749999 0.445458 0.298271 N\n0.250000 0.054542 0.798271 N\n0.250000 0.554542 0.701729 N\n",
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{
"id": "jvasp-97858",
"created_at": "2022-09-04T14:37:41.215123Z",
"updated_at": "2022-09-04T14:37:41.215146Z",
"structure_string": "B4 N4 O8 F16\n1.0\n6.191948 0.000000 -1.479603\n0.000000 6.745389 0.000000\n0.200659 0.000000 9.055710\nB N O F\n4 4 8 16\ndirect\n0.258620 0.805326 0.502935 B\n0.258619 0.694675 0.002935 B\n0.741381 0.305326 0.997066 B\n0.741381 0.194675 0.497066 B\n0.239628 0.239883 0.242265 N\n0.239628 0.260117 0.742265 N\n0.760373 0.760117 0.757736 N\n0.760373 0.739883 0.257736 N\n0.658859 0.826108 0.834902 O\n0.341141 0.326107 0.665099 O\n0.137140 0.194448 0.818967 O\n0.137140 0.305552 0.318967 O\n0.862860 0.805552 0.181033 O\n0.341141 0.173893 0.165099 O\n0.658859 0.673893 0.334902 O\n0.862861 0.694449 0.681033 O\n0.555516 0.308556 0.439556 F\n0.083172 0.824929 0.954715 F\n0.444484 0.808556 0.060444 F\n0.785196 0.431423 0.882054 F\n0.916828 0.175071 0.045285 F\n0.444484 0.691444 0.560444 F\n0.290892 0.919223 0.378165 F\n0.214805 0.568577 0.117946 F\n0.083172 0.675071 0.454715 F\n0.709109 0.419223 0.121835 F\n0.555516 0.191444 0.939556 F\n0.214805 0.931423 0.617946 F\n0.785196 0.068577 0.382054 F\n0.709109 0.080777 0.621835 F\n0.290892 0.580778 0.878165 F\n0.916828 0.324929 0.545285 F\n",
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{
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"created_at": "2022-09-04T14:37:17.163725Z",
"updated_at": "2022-09-04T14:37:17.163746Z",
"structure_string": "Rb2 S2 O4 F2\n1.0\n0.000000 4.812394 -0.079858\n5.835008 0.000000 0.000000\n0.000000 -2.112173 -6.675416\nRb S O F\n2 2 4 2\ndirect\n0.840307 0.750000 0.718126 Rb\n0.159693 0.250000 0.281875 Rb\n0.600988 0.750000 0.176525 S\n0.399012 0.250000 0.823476 S\n0.669326 0.541329 0.298926 O\n0.330674 0.041329 0.701075 O\n0.330674 0.458671 0.701075 O\n0.669326 0.958672 0.298926 O\n0.802418 0.250000 0.869947 F\n0.197582 0.750000 0.130054 F\n",
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{
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"created_at": "2022-09-04T14:38:17.803099Z",
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"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
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{
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"updated_at": "2022-09-04T14:35:53.019118Z",
"structure_string": "Si16 O32\n1.0\n8.371167 0.000000 0.000000\n0.000000 9.428439 -0.000000\n0.000000 0.000000 9.459697\nSi O\n16 32\ndirect\n0.313143 0.192207 0.099856 Si\n0.186898 0.899358 0.191827 Si\n0.686858 0.692207 0.400145 Si\n0.313143 0.692207 0.400145 Si\n0.813102 0.399358 0.308173 Si\n0.686858 0.807794 0.900145 Si\n0.813102 0.600642 0.691827 Si\n0.813102 0.899358 0.191827 Si\n0.686858 0.192207 0.099856 Si\n0.686858 0.307793 0.599856 Si\n0.813102 0.100642 0.808174 Si\n0.186898 0.600642 0.691827 Si\n0.313143 0.807794 0.900145 Si\n0.313143 0.307793 0.599856 Si\n0.186898 0.399358 0.308173 Si\n0.186898 0.100642 0.808174 Si\n0.749443 0.846080 0.345426 O\n0.208249 0.429821 0.679232 O\n0.250557 0.653920 0.845427 O\n0.000000 0.640243 0.670752 O\n0.749443 0.346080 0.154574 O\n0.749443 0.653920 0.845427 O\n0.250557 0.846080 0.345426 O\n0.291214 0.318659 0.429522 O\n0.708786 0.318659 0.429522 O\n0.749443 0.153920 0.654574 O\n0.791752 0.929821 0.820768 O\n0.291214 0.681341 0.570479 O\n0.000000 0.359758 0.329249 O\n0.291214 0.818659 0.070478 O\n0.250557 0.153920 0.654574 O\n0.708786 0.181341 0.929522 O\n0.208249 0.570180 0.320768 O\n0.291214 0.181341 0.929522 O\n0.500000 0.330339 0.638772 O\n0.000000 0.140242 0.829249 O\n0.208249 0.929821 0.820768 O\n0.791752 0.570180 0.320768 O\n0.708786 0.818659 0.070478 O\n0.708786 0.681341 0.570479 O\n0.500000 0.169661 0.138772 O\n0.000000 0.859758 0.170752 O\n0.791752 0.429821 0.679232 O\n0.250557 0.346080 0.154574 O\n0.208249 0.070180 0.179232 O\n0.500000 0.669661 0.361228 O\n0.500000 0.830339 0.861228 O\n0.791752 0.070180 0.179232 O\n",
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{
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"elements": [
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],
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"formula_full": "Ca1 Zr4 P6 O24",
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{
"id": "jvasp-97865",
"created_at": "2022-09-04T14:35:59.076927Z",
"updated_at": "2022-09-04T14:35:59.076953Z",
"structure_string": "Rb8 C2 O8\n1.0\n5.905399 0.000000 0.000000\n0.000000 6.978609 0.035298\n0.000000 0.243642 8.315061\nRb C O\n8 2 8\ndirect\n0.736176 0.129267 0.400247 Rb\n0.230353 0.458275 0.397210 Rb\n0.715805 0.006040 0.833373 Rb\n0.911656 0.414150 0.965873 Rb\n0.215805 -0.006040 0.166627 Rb\n0.411656 0.585850 0.034128 Rb\n0.730353 0.541725 0.602790 Rb\n0.236176 0.870733 0.599753 Rb\n0.768544 0.709576 0.264830 C\n0.268544 0.290424 0.735170 C\n0.266614 0.499324 0.731877 O\n0.051221 0.225813 0.683080 O\n0.766614 0.500676 0.268123 O\n0.812636 0.781390 0.101695 O\n0.440286 0.224952 0.631147 O\n0.940286 0.775047 0.368853 O\n0.312636 0.218610 0.898305 O\n0.551221 0.774187 0.316920 O\n",
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"formula_full": "Rb8 C2 O8",
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{
"id": "jvasp-97866",
"created_at": "2022-09-04T14:36:00.540546Z",
"updated_at": "2022-09-04T14:36:00.540575Z",
"structure_string": "Cd8 S8 O24\n1.0\n5.620448 0.014840 0.000000\n-1.473066 8.373730 0.000000\n0.000000 0.000000 12.609381\nCd S O\n8 8 24\ndirect\n0.676915 0.881951 0.420127 Cd\n0.132970 0.644203 0.256161 Cd\n0.323084 0.618048 0.920126 Cd\n0.867030 0.355797 0.743839 Cd\n0.867029 0.855797 0.756161 Cd\n0.323084 0.118048 0.579873 Cd\n0.676916 0.381951 0.079873 Cd\n0.132970 0.144203 0.243839 Cd\n0.905589 0.258389 0.475256 S\n0.905589 0.758389 0.024744 S\n0.094410 0.241611 0.975256 S\n0.094410 0.741611 0.524744 S\n0.462904 0.031766 0.828649 S\n0.537096 0.968234 0.171351 S\n0.537096 0.468234 0.328649 S\n0.462904 0.531766 0.671351 S\n0.995416 0.738746 0.409766 O\n0.754558 0.984445 0.250732 O\n0.336753 0.861292 0.525781 O\n0.004584 0.261254 0.590234 O\n0.915009 0.340162 0.921877 O\n0.084990 0.659838 0.078123 O\n0.684589 0.588595 0.745822 O\n0.754559 0.484445 0.249268 O\n0.509927 0.861169 0.852597 O\n0.490072 0.138831 0.147403 O\n0.245441 0.515555 0.750732 O\n0.684589 0.088595 0.754178 O\n0.004583 0.761254 0.909766 O\n0.490072 0.638831 0.352597 O\n0.245441 0.015555 0.749267 O\n0.336754 0.361292 0.974219 O\n0.509928 0.361169 0.647403 O\n0.315411 0.411405 0.254178 O\n0.663246 0.138708 0.474219 O\n0.915009 0.840162 0.578123 O\n0.315410 0.911405 0.245822 O\n0.995416 0.238746 0.090234 O\n0.663246 0.638708 0.025781 O\n0.084991 0.159838 0.421877 O\n",
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"formula_full": "Cd8 S8 O24",
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}
]
}