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{
"id": "jvasp-88770",
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"structure_string": "Ba3 Nb6 Si4 O26\n1.0\n9.143801 0.000000 -0.000000\n-4.571901 7.918764 0.000000\n-0.000000 0.000000 7.791585\nBa Nb Si O\n3 6 4 26\ndirect\n0.603233 0.000000 0.500000 Ba\n0.396767 0.396767 0.500000 Ba\n-0.000000 0.603233 0.500000 Ba\n0.239009 0.000000 0.242853 Nb\n0.760990 0.760990 0.757147 Nb\n-0.000000 0.239009 0.757147 Nb\n-0.000000 0.239009 0.242853 Nb\n0.760990 0.760990 0.242853 Nb\n0.239009 0.000000 0.757147 Nb\n0.666667 0.333333 0.208059 Si\n0.666667 0.333333 0.791940 Si\n0.333333 0.666667 0.208059 Si\n0.333333 0.666667 0.791940 Si\n0.695084 0.511366 0.711434 O\n0.488634 0.183718 0.288565 O\n0.821452 0.000000 0.775194 O\n0.178548 0.178548 0.224806 O\n-0.000000 0.821452 0.224806 O\n-0.000000 0.821452 0.775194 O\n-0.000000 0.221139 0.500000 O\n-0.000000 0.290782 0.000000 O\n0.778860 0.778860 0.500000 O\n0.221139 0.000000 0.500000 O\n0.511366 0.695084 0.288565 O\n0.304916 0.816282 0.288565 O\n0.183718 0.488633 0.288565 O\n0.488634 0.183718 0.711434 O\n0.183718 0.488633 0.711434 O\n0.821452 0.000000 0.224806 O\n0.511366 0.695084 0.711434 O\n0.695084 0.511366 0.288565 O\n0.816282 0.304916 0.288565 O\n0.816282 0.304916 0.711434 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.290782 0.000000 0.000000 O\n0.709217 0.709217 0.000000 O\n0.304916 0.816282 0.711434 O\n0.178548 0.178548 0.775194 O\n",
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{
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"structure_string": "Er10 Ru10 C19\n1.0\n7.205698 0.000000 -0.000000\n-3.602849 6.815858 -2.666642\n-0.000000 -0.004919 10.035867\nEr Ru C\n10 10 19\ndirect\n0.254685 0.509369 0.214532 Er\n0.000312 0.000624 0.989484 Er\n0.477846 0.955693 0.989356 Er\n0.323039 0.646078 0.613573 Er\n0.510925 0.021850 0.363887 Er\n0.142052 0.284103 0.764622 Er\n0.821710 0.643420 0.600086 Er\n0.625861 0.251722 0.738482 Er\n0.751056 0.502112 0.239634 Er\n0.016047 0.032094 0.380434 Er\n0.219982 0.945993 0.583453 Ru\n0.935605 0.353056 0.395645 Ru\n0.095871 0.767033 0.135432 Ru\n0.671162 0.767033 0.135432 Ru\n0.598528 0.620893 0.843452 Ru\n0.022365 0.620893 0.843452 Ru\n0.417452 0.353056 0.395645 Ru\n0.726010 0.945993 0.583453 Ru\n0.893517 0.354774 0.989495 Ru\n0.461258 0.354774 0.989495 Ru\n0.868282 0.235590 0.154422 C\n0.391902 0.580082 0.989334 C\n0.188180 0.580082 0.989334 C\n0.355354 0.216106 0.555893 C\n0.860752 0.216106 0.555893 C\n0.085260 0.649573 0.422679 C\n0.564313 0.649573 0.422679 C\n0.458494 0.413341 0.631072 C\n0.135762 0.771624 0.347816 C\n0.954847 0.413341 0.631072 C\n0.183243 0.870297 0.783006 C\n0.286440 0.077041 0.195938 C\n0.790601 0.077041 0.195938 C\n0.284865 0.070459 0.824452 C\n0.687055 0.870297 0.783006 C\n0.785595 0.070459 0.824452 C\n0.367307 0.235590 0.154422 C\n0.635862 0.771624 0.347816 C\n0.788056 0.576112 0.989381 C\n",
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{
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"structure_string": "Sn1 H22 C12 O4\n1.0\n4.947819 0.056721 0.421284\n1.313480 6.991830 2.621098\n-0.005695 -0.316847 9.784166\nSn H C O\n1 22 12 4\ndirect\n0.326700 0.348552 0.120622 Sn\n0.503954 0.675095 0.616944 H\n0.086718 0.045245 0.223038 H\n0.387889 0.014009 0.324896 H\n0.560583 0.657181 0.032448 H\n0.196003 0.730239 0.065187 H\n0.339465 0.494147 0.725364 H\n0.427382 0.974845 0.151689 H\n0.387083 0.346116 0.525705 H\n0.707409 0.368078 0.578244 H\n0.670723 0.678703 0.365015 H\n0.315764 0.668402 0.904430 H\n0.277642 0.896813 0.711428 H\n0.381839 0.614017 0.309632 H\n0.877658 0.923920 0.887931 H\n0.691917 0.109090 0.751773 H\n0.242778 0.114239 0.874267 H\n0.079899 0.293637 0.728055 H\n0.114929 0.795168 0.444678 H\n0.882522 0.710072 0.754126 H\n0.724036 0.884761 0.600677 H\n0.078354 0.073718 0.573871 H\n0.963767 0.600639 0.538919 H\n0.038680 0.181608 0.826469 C\n0.064194 0.958843 0.675748 C\n0.902083 0.040599 0.789460 C\n0.087569 0.697840 0.552950 C\n0.925803 0.810451 0.649183 C\n0.575148 0.559281 0.368966 C\n0.871170 0.282328 0.926543 C\n0.367124 0.580552 0.613076 C\n0.769256 0.429250 0.299077 C\n0.303453 0.057367 0.216807 C\n0.352487 0.639265 0.018653 C\n0.512411 0.449755 0.526274 C\n0.021265 0.446940 0.281926 O\n-0.023104 0.393341 0.971334 O\n0.625575 0.255143 0.957992 O\n0.680207 0.302344 0.264949 O\n",
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{
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"created_at": "2022-09-04T14:38:35.623969Z",
"updated_at": "2022-09-04T14:38:35.623999Z",
"structure_string": "Ba4 Cu2 Sn4 F28\n1.0\n5.321454 -0.012852 0.017815\n-2.642943 7.220905 -0.009967\n-0.056134 -0.652454 15.416500\nBa Cu Sn F\n4 2 4 28\ndirect\n0.743834 0.636792 0.375104 Ba\n0.892642 0.636900 0.875112 Ba\n0.254708 0.361228 0.624166 Ba\n0.106406 0.361351 0.124155 Ba\n0.499554 0.999053 0.999652 Cu\n0.499088 0.998887 0.499642 Cu\n0.857155 0.761913 0.128742 Sn\n0.142025 0.236340 0.870592 Sn\n0.904485 0.761805 0.628729 Sn\n0.093803 0.236270 0.370615 Sn\n0.004239 0.360284 0.777636 F\n0.267227 0.160477 0.984311 F\n0.063792 0.979995 0.340711 F\n0.731903 0.837659 0.015000 F\n0.892804 0.160319 0.484311 F\n0.480101 0.112824 0.604775 F\n0.813357 0.257397 0.292974 F\n0.642823 0.637935 0.721683 F\n0.105370 0.837502 0.514992 F\n0.366543 0.885114 0.894524 F\n0.083563 0.018195 0.158544 F\n0.857508 0.281492 0.947236 F\n0.443432 0.257305 0.792939 F\n-0.005080 0.637983 0.221709 F\n0.646866 0.499966 0.084215 F\n0.555726 0.740962 0.206386 F\n0.852783 0.499832 0.584226 F\n0.355473 0.360263 0.277681 F\n0.915604 0.980083 0.840743 F\n0.141637 0.716728 0.052090 F\n0.632599 0.113017 0.104777 F\n0.517977 0.884954 0.394503 F\n0.145515 0.498141 0.415256 F\n0.423524 0.281289 0.447246 F\n0.574781 0.716652 0.552068 F\n0.934440 0.018107 0.658542 F\n0.184977 0.740881 0.706411 F\n0.352305 0.498233 0.915175 F\n",
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"structure_string": "Zr6 In2 F30\n1.0\n7.970158 0.005100 0.006294\n-1.363357 7.852687 0.006294\n-1.363357 -1.621507 7.683454\nZr In F\n6 2 30\ndirect\n0.680580 0.819420 0.249999 Zr\n0.319419 0.180580 0.749999 Zr\n0.819420 0.250000 0.680579 Zr\n0.180580 0.750000 0.319419 Zr\n0.249999 0.680580 0.819419 Zr\n0.750000 0.319420 0.180579 Zr\n0.749999 0.750000 0.749999 In\n0.250000 0.250000 0.250000 In\n0.962154 0.537846 0.249999 F\n0.978818 0.212832 0.223076 F\n0.249999 0.962154 0.537845 F\n0.462154 0.750000 0.037845 F\n0.478817 0.723077 0.712832 F\n0.326018 0.953055 0.852593 F\n0.287167 0.521182 0.276923 F\n0.276923 0.287167 0.521182 F\n0.453055 0.826018 0.352593 F\n0.147406 0.673982 0.046944 F\n0.826018 0.352594 0.453055 F\n0.037845 0.462154 0.749999 F\n0.223076 0.978818 0.212832 F\n0.021182 0.787167 0.776922 F\n0.173981 0.647406 0.546944 F\n0.537845 0.250000 0.962153 F\n0.521182 0.276923 0.287167 F\n0.673982 0.046944 0.147405 F\n0.712832 0.478817 0.723076 F\n0.723076 0.712833 0.478817 F\n0.546944 0.173981 0.647405 F\n0.852594 0.326018 0.953054 F\n0.750000 0.037845 0.462154 F\n0.647406 0.546944 0.173981 F\n0.953055 0.852594 0.326017 F\n0.776923 0.021182 0.787166 F\n0.787167 0.776923 0.021181 F\n0.212832 0.223076 0.978817 F\n0.046944 0.147406 0.673981 F\n0.352593 0.453055 0.826018 F\n",
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"structure_string": "Al2 Mo6 F30\n1.0\n9.888766 0.192386 0.000000\n-1.537760 5.482995 0.000000\n0.000000 0.000000 9.790576\nAl Mo F\n2 6 30\ndirect\n0.906543 0.446458 0.250000 Al\n0.426791 0.553544 0.750000 Al\n0.166667 0.000000 0.500000 Mo\n0.505200 0.021431 0.454391 Mo\n0.828133 0.978571 0.545609 Mo\n0.166667 0.000000 0.000000 Mo\n0.505200 0.021431 0.045609 Mo\n0.828133 0.978571 0.954391 Mo\n0.500756 0.327198 0.109105 F\n0.882284 0.248040 0.109373 F\n0.200106 0.280649 0.397805 F\n0.500756 0.327198 0.390895 F\n0.882284 0.248040 0.390627 F\n0.133228 0.719352 0.602196 F\n0.363941 0.118244 0.912567 F\n0.832578 0.672804 0.609105 F\n0.026624 0.126532 0.883895 F\n0.200106 0.280649 0.102195 F\n0.686587 0.189914 0.944080 F\n0.306710 0.873469 0.116105 F\n0.451050 0.751961 0.609373 F\n0.832578 0.672804 0.890896 F\n0.646747 0.810088 0.444080 F\n0.133228 0.719352 0.897805 F\n0.969393 0.881758 0.412567 F\n0.646747 0.810088 0.055920 F\n0.306710 0.873469 0.383895 F\n0.686587 0.189914 0.555920 F\n0.363941 0.118244 0.587434 F\n0.026624 0.126532 0.616105 F\n0.770166 0.000724 0.750000 F\n0.561666 0.427935 0.750000 F\n0.259234 0.400931 0.750000 F\n0.771669 0.572067 0.250000 F\n0.563168 0.999278 0.250000 F\n0.074099 0.599070 0.250000 F\n0.451050 0.751961 0.890627 F\n0.969393 0.881758 0.087434 F\n",
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