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{
"id": "jvasp-118020",
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{
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"structure_string": "K2 Na1 Cl3\n1.0\n4.249106 -0.000000 0.000000\n-2.124552 3.679835 0.000000\n-0.000000 -0.000000 10.567180\nK Na Cl\n2 1 3\ndirect\n0.333334 0.666666 0.678142 K\n0.666667 0.333333 0.321858 K\n0.000000 0.000000 0.000000 Na\n0.333334 0.666666 0.143239 Cl\n0.666667 0.333333 0.856761 Cl\n0.000000 0.000000 0.500000 Cl\n",
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{
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{
"id": "jvasp-118777",
"created_at": "2022-09-04T14:38:50.121792Z",
"updated_at": "2022-09-04T14:38:50.121830Z",
"structure_string": "Cl2\n1.0\n4.678680 -0.000000 0.000000\n-0.000000 3.473873 0.000000\n0.000000 0.000000 3.473873\nCl\n2\ndirect\n-0.009317 0.000000 0.000000 Cl\n0.529317 0.000000 0.000000 Cl\n",
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},
{
"id": "jvasp-32414",
"created_at": "2022-09-04T14:38:06.006231Z",
"updated_at": "2022-09-04T14:38:06.006261Z",
"structure_string": "Si2 C2 Cl6 F6\n1.0\n6.082369 0.000704 0.225776\n0.210028 7.214111 1.662867\n-0.002320 0.090601 7.405702\nSi C Cl F\n2 2 6 6\ndirect\n0.677121 0.810614 0.810615 Si\n0.322880 0.189385 0.189386 Si\n0.249817 0.353217 0.353217 C\n0.750183 0.646782 0.646784 C\n0.344213 0.832378 0.832379 Cl\n0.191266 0.307303 0.940023 Cl\n0.808735 0.692696 0.059977 Cl\n0.808735 0.059976 0.692697 Cl\n0.655787 0.167621 0.167622 Cl\n0.191266 0.940023 0.307304 Cl\n0.669023 0.473622 0.713946 F\n0.669023 0.713945 0.473623 F\n0.026346 0.374774 0.374774 F\n0.330978 0.286054 0.526378 F\n0.973655 0.625226 0.625227 F\n0.330978 0.526377 0.286055 F\n",
"nsites": 16,
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"elements": [
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{
"id": "jvasp-11967",
"created_at": "2022-09-04T14:35:58.571726Z",
"updated_at": "2022-09-04T14:35:58.571756Z",
"structure_string": "Mg17 Al12\n1.0\n8.613800 0.000000 -3.045438\n-4.306900 7.459769 -3.045438\n-0.000000 -0.000000 9.136314\nMg Al\n17 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.684388 0.684388 0.287061 Mg\n0.397326 0.712939 0.397326 Mg\n0.000000 0.602674 0.315612 Mg\n0.602674 0.000000 0.315612 Mg\n0.315612 0.000000 0.602673 Mg\n0.684388 0.287061 0.684387 Mg\n0.287061 0.684388 0.684387 Mg\n0.712939 0.397326 0.397326 Mg\n0.315612 0.602674 -0.000000 Mg\n0.602674 0.315612 -0.000000 Mg\n0.397326 0.397326 0.712938 Mg\n0.000000 0.000000 0.342529 Mg\n0.000000 0.342529 -0.000000 Mg\n0.342529 -0.000000 -0.000000 Mg\n0.657471 0.657471 0.657471 Mg\n0.000000 0.315612 0.602674 Mg\n0.181295 0.367538 0.367538 Al\n0.000000 0.632462 0.813758 Al\n0.632462 0.000000 0.813758 Al\n0.813759 0.000000 0.632462 Al\n0.186241 0.818705 0.186241 Al\n0.632462 0.813759 -0.000000 Al\n0.000000 0.813759 0.632462 Al\n0.813759 0.632462 -0.000000 Al\n0.367538 0.367538 0.181295 Al\n0.367538 0.181295 0.367538 Al\n0.818705 0.186241 0.186241 Al\n0.186241 0.186241 0.818704 Al\n",
"nsites": 29,
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"elements": [
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},
{
"id": "jvasp-20411",
"created_at": "2022-09-04T14:37:40.688304Z",
"updated_at": "2022-09-04T14:37:40.688326Z",
"structure_string": "Mg17 Al12\n1.0\n8.613800 0.000000 -3.045438\n-4.306900 7.459769 -3.045438\n-0.000000 -0.000000 9.136314\nMg Al\n17 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.684388 0.684388 0.287061 Mg\n0.397326 0.712939 0.397326 Mg\n0.000000 0.602674 0.315612 Mg\n0.602674 0.000000 0.315612 Mg\n0.315612 0.000000 0.602673 Mg\n0.684388 0.287061 0.684387 Mg\n0.287061 0.684388 0.684387 Mg\n0.712939 0.397326 0.397326 Mg\n0.315612 0.602674 -0.000000 Mg\n0.602674 0.315612 -0.000000 Mg\n0.397326 0.397326 0.712938 Mg\n0.000000 0.000000 0.342529 Mg\n0.000000 0.342529 -0.000000 Mg\n0.342529 -0.000000 -0.000000 Mg\n0.657471 0.657471 0.657471 Mg\n0.000000 0.315612 0.602673 Mg\n0.181295 0.367538 0.367538 Al\n0.000000 0.632462 0.813758 Al\n0.632462 0.000000 0.813758 Al\n0.813759 0.000000 0.632462 Al\n0.186241 0.818705 0.186241 Al\n0.632462 0.813759 -0.000000 Al\n0.000000 0.813759 0.632462 Al\n0.813759 0.632462 -0.000000 Al\n0.367538 0.367538 0.181295 Al\n0.367538 0.181295 0.367538 Al\n0.818705 0.186241 0.186241 Al\n0.186241 0.186241 0.818704 Al\n",
"nsites": 29,
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"spacegroup": 217
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{
"id": "jvasp-73206",
"created_at": "2022-09-04T14:36:15.134506Z",
"updated_at": "2022-09-04T14:36:15.134524Z",
"structure_string": "Sr1 Be2 Cl1\n1.0\n4.645718 -0.000000 0.000000\n-0.000000 4.645718 0.000000\n-0.000000 -0.000000 5.210688\nSr Be Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.780394 Be\n0.000000 0.000000 0.219606 Be\n0.500000 0.500000 0.000000 Cl\n",
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},
{
"id": "jvasp-104102",
"created_at": "2022-09-04T14:36:43.213016Z",
"updated_at": "2022-09-04T14:36:43.213045Z",
"structure_string": "H8 C8 F8\n1.0\n5.751174 -0.000015 -0.000009\n-0.000022 5.022272 0.822090\n-0.000009 -0.051010 7.061748\nH C F\n8 8 8\ndirect\n0.977340 0.666540 0.799409 H\n0.759105 0.623997 0.979136 H\n0.023347 0.833451 0.200591 H\n0.241565 0.876008 0.020853 H\n0.259107 0.375999 0.520873 H\n0.477347 0.333461 0.700595 H\n0.741564 0.123998 0.479145 H\n0.523338 0.166551 0.299411 H\n0.551626 0.627751 0.462093 C\n0.553424 0.136508 0.454545 C\n0.449035 0.872257 0.537905 C\n0.447249 0.363497 0.545462 C\n0.053426 0.863494 0.045457 C\n0.051627 0.372251 0.037910 C\n0.947247 0.636503 0.954542 C\n0.949033 0.127743 0.962099 C\n0.974557 0.174437 0.763113 F\n0.710259 0.130173 0.995359 F\n0.026087 0.325566 0.236895 F\n0.290403 0.369810 0.004662 F\n0.210259 0.869822 0.504649 F\n0.474564 0.825564 0.736891 F\n0.790403 0.630197 0.495337 F\n0.526081 0.674434 0.263108 F\n",
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{
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"created_at": "2022-09-04T14:35:48.362462Z",
"updated_at": "2022-09-04T14:35:48.362491Z",
"structure_string": "K4 Be1 Pd1\n1.0\n0.000000 4.767762 4.767762\n4.767762 0.000000 4.767762\n4.767762 4.767762 -0.000000\nK Be Pd\n4 1 1\ndirect\n0.128357 0.623880 0.623880 K\n0.623880 0.623880 0.623880 K\n0.623880 0.128357 0.623880 K\n0.623880 0.623880 0.128357 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pd\n",
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{
"id": "jvasp-112939",
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"updated_at": "2022-09-04T14:38:43.752612Z",
"structure_string": "Mg16 Al12 O1\n1.0\n8.558098 -0.024980 -2.904176\n-4.045273 7.541713 -2.904176\n-0.014997 -0.024980 9.037425\nMg Al O\n16 12 1\ndirect\n0.464317 0.464317 0.694190 Mg\n0.464318 0.694191 0.464317 Mg\n0.002884 0.329727 0.594364 Mg\n0.006402 0.328751 0.006402 Mg\n0.594364 0.002884 0.329727 Mg\n0.290289 0.701706 0.701705 Mg\n0.701706 0.290289 0.701706 Mg\n0.002884 0.594364 0.329727 Mg\n0.329727 0.594364 0.002884 Mg\n0.329727 0.002884 0.594364 Mg\n0.594365 0.329727 0.002884 Mg\n0.694191 0.464317 0.464317 Mg\n0.806214 0.806213 0.806212 Mg\n0.701707 0.701706 0.290289 Mg\n0.006402 0.006402 0.328751 Mg\n0.328751 0.006402 0.006402 Mg\n0.162015 0.355743 0.355742 Al\n0.639930 0.834579 0.025898 Al\n0.639930 0.025898 0.834579 Al\n0.802566 0.204585 0.204585 Al\n0.204585 0.802565 0.204584 Al\n0.025898 0.834579 0.639929 Al\n0.834580 0.639930 0.025898 Al\n0.355743 0.162015 0.355742 Al\n0.355743 0.355743 0.162015 Al\n0.204585 0.204585 0.802565 Al\n0.834580 0.025898 0.639929 Al\n0.025898 0.639930 0.834579 Al\n0.595715 0.595715 0.595714 O\n",
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{
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}