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{
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{
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"structure_string": "H28 C12 O10\n1.0\n4.762648 0.000000 -0.372675\n0.000000 4.679964 0.000000\n0.224052 0.000000 16.801764\nH C O\n28 12 10\ndirect\n0.517808 0.444866 0.207579 H\n0.953675 0.803650 0.006455 H\n0.046325 0.303650 0.993545 H\n0.289105 0.508504 0.793906 H\n0.486957 0.266220 0.680435 H\n0.513043 0.766219 0.319565 H\n0.912682 0.331965 0.802924 H\n0.087317 0.831965 0.197076 H\n0.109106 0.088665 0.689609 H\n0.890894 0.588665 0.310391 H\n0.515791 0.839589 0.935815 H\n0.484209 0.339590 0.064185 H\n0.534346 0.462760 0.920871 H\n0.465654 0.962760 0.079129 H\n0.710895 0.008504 0.206094 H\n0.042060 0.397674 0.136270 H\n0.875617 0.129160 0.564191 H\n0.124383 0.629160 0.435809 H\n0.883262 0.753278 0.547237 H\n0.116738 0.253279 0.452763 H\n0.602747 0.960235 0.503400 H\n0.397253 0.460235 0.496600 H\n0.441989 0.700721 0.620667 H\n0.558011 0.200721 0.379333 H\n0.957940 0.897674 0.863730 H\n0.914137 0.652844 0.692101 H\n0.085863 0.152844 0.307899 H\n0.482192 0.944865 0.792421 H\n0.745015 0.936589 0.556790 C\n0.179273 0.211044 0.146890 C\n0.660081 0.659197 0.927398 C\n0.339919 0.159197 0.072602 C\n0.820727 0.711044 0.853110 C\n0.254985 0.436589 0.443210 C\n0.419807 0.387088 0.369814 C\n0.776549 0.834791 0.704811 C\n0.223451 0.334792 0.295189 C\n0.621016 0.764262 0.779363 C\n0.378984 0.264262 0.220637 C\n0.580193 0.887087 0.630186 C\n0.152884 0.121586 0.002658 O\n0.542022 0.012628 0.238965 O\n0.457978 0.512627 0.761035 O\n0.058464 0.584921 0.277129 O\n0.941536 0.084922 0.722871 O\n0.604125 0.628003 0.357888 O\n0.395875 0.128003 0.642112 O\n-0.004691 0.971649 0.159359 O\n0.004690 0.471650 0.840641 O\n0.847116 0.621585 -0.002658 O\n",
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{
"id": "jvasp-24258",
"created_at": "2022-09-04T14:37:47.649659Z",
"updated_at": "2022-09-04T14:37:47.649671Z",
"structure_string": "Zn4 Si6 Pb8 S2 O30\n1.0\n0.000000 11.366614 -0.008199\n5.265544 0.000000 0.000000\n0.000000 -3.899575 -12.071694\nZn Si Pb S O\n4 6 8 2 30\ndirect\n0.641320 0.016177 0.612717 Zn\n0.917615 0.995900 0.355543 Zn\n0.082384 0.495901 0.644456 Zn\n0.358679 0.516177 0.387283 Zn\n0.362297 0.441068 0.816547 Si\n0.923043 0.983831 0.624184 Si\n0.076956 0.483831 0.375816 Si\n0.637702 0.941067 0.183453 Si\n0.486553 0.015190 0.346946 Si\n0.513446 0.515189 0.653053 Si\n0.814782 0.488078 0.127928 Pb\n0.849447 0.492581 0.783457 Pb\n0.545775 0.954405 0.884581 Pb\n0.150552 0.992581 0.216543 Pb\n0.454224 0.454406 0.115419 Pb\n0.267467 0.087514 0.565709 Pb\n0.732532 0.587514 0.434290 Pb\n0.185217 0.988078 0.872071 Pb\n0.145510 0.508877 0.031012 S\n0.854489 0.008877 0.968988 S\n0.397061 0.419377 0.547048 O\n0.055514 0.839840 0.687166 O\n0.103712 0.512687 0.907081 O\n0.476676 0.323905 0.334111 O\n0.596555 0.768458 0.070215 O\n0.235542 0.724675 0.069179 O\n0.403444 0.268458 0.929785 O\n0.523323 0.823905 0.665889 O\n0.214894 0.267885 0.069965 O\n0.896287 0.012687 0.092919 O\n0.957298 0.035268 0.922919 O\n0.064433 0.793170 0.356889 O\n0.356605 0.881872 0.350694 O\n0.481069 0.404801 0.765236 O\n0.602938 0.919376 0.452952 O\n0.935566 0.293170 0.643111 O\n0.654965 0.241589 0.164046 O\n0.239572 0.308309 0.727855 O\n0.643394 0.381873 0.649305 O\n0.117641 0.403016 0.507655 O\n0.518930 0.904800 0.234764 O\n0.764457 0.224675 0.930821 O\n0.811435 0.875814 0.670723 O\n0.760427 0.808309 0.272145 O\n0.345034 0.741588 0.835953 O\n0.944486 0.339841 0.312834 O\n0.188564 0.375815 0.329277 O\n0.785105 0.767885 0.930034 O\n0.042701 0.535268 0.077081 O\n0.882358 0.903015 0.492344 O\n",
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{
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"created_at": "2022-09-04T14:36:41.152236Z",
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"structure_string": "H24 C22 O4\n1.0\n7.317986 -0.014493 0.854645\n1.447208 6.948142 2.600550\n0.150725 -0.039549 8.182395\nH C O\n24 22 4\ndirect\n0.857780 0.502596 0.579227 H\n0.346424 0.265478 0.288956 H\n0.653576 0.734522 0.711045 H\n0.650523 0.337243 0.136703 H\n0.349477 0.662757 0.863298 H\n0.822194 0.602017 0.972871 H\n0.177806 0.397983 0.027130 H\n0.086003 0.481735 0.820579 H\n0.789249 0.935377 0.953253 H\n0.210751 0.064623 0.046748 H\n0.007597 0.818796 0.042711 H\n0.992403 0.181204 0.957290 H\n0.913997 0.518265 0.179422 H\n0.171431 0.976446 0.782220 H\n0.828569 0.023554 0.217781 H\n0.022548 0.149510 0.422011 H\n0.977452 0.850490 0.577990 H\n0.491416 0.960875 0.847788 H\n0.508584 0.039125 0.152213 H\n0.142221 0.497404 0.420774 H\n0.527282 0.944525 0.378876 H\n0.149271 0.221671 0.655241 H\n0.850729 0.778329 0.344760 H\n0.472718 0.055475 0.621125 H\n0.440265 0.562603 0.803701 C\n0.198585 0.829357 0.421206 C\n0.801415 0.170643 0.578796 C\n0.331159 0.695653 0.344957 C\n0.668841 0.304347 0.655044 C\n0.276057 0.525940 0.355487 C\n0.723943 0.474060 0.644514 C\n0.390023 0.396525 0.280858 C\n0.609977 0.603475 0.719143 C\n0.559735 0.437397 0.196300 C\n0.619219 0.604912 0.185315 C\n0.494746 0.262847 0.739616 C\n0.809986 0.631286 0.097126 C\n0.190014 0.368714 0.902875 C\n0.855864 0.827441 0.068690 C\n0.144136 0.172559 0.931311 C\n0.786887 0.888618 0.229312 C\n0.213113 0.111383 0.770689 C\n0.574322 0.912730 0.257020 C\n0.425678 0.087270 0.742981 C\n0.505255 0.737153 0.260385 C\n0.380781 0.395088 0.814686 C\n0.920141 0.252426 0.452861 O\n0.807959 0.993390 0.630289 O\n0.192041 0.006610 0.369712 O\n0.079860 0.747574 0.547141 O\n",
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{
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"created_at": "2022-09-04T14:36:13.206257Z",
"updated_at": "2022-09-04T14:36:13.206278Z",
"structure_string": "Na1 Al6 Fe3 Si6 B3 O30 F1\n1.0\n8.658763 -0.001096 -3.824421\n-5.869706 6.365589 -3.824421\n-0.000481 -0.001096 9.465748\nNa Al Fe Si B O F\n1 6 3 6 3 30 1\ndirect\n0.237256 0.237256 0.237257 Na\n0.894931 0.558935 0.342442 Al\n0.894931 0.342442 0.558935 Al\n0.342442 0.894932 0.558936 Al\n0.558935 0.342442 0.894932 Al\n0.342442 0.558935 0.894932 Al\n0.558935 0.894932 0.342443 Al\n0.562885 0.562885 0.758918 Fe\n0.562885 0.758918 0.562885 Fe\n0.758917 0.562885 0.562885 Fe\n0.998028 0.191321 0.808710 Si\n0.191321 0.998028 0.808710 Si\n0.808709 0.191321 0.998028 Si\n0.998028 0.808710 0.191321 Si\n0.191321 0.808710 0.998029 Si\n0.808709 0.998028 0.191322 Si\n0.562215 0.562215 0.232342 B\n0.562215 0.232341 0.562215 B\n0.232341 0.562215 0.562215 B\n0.764987 0.964067 0.586704 O\n0.642449 0.164008 0.493712 O\n0.164008 0.493712 0.642450 O\n0.493712 0.642449 0.164008 O\n0.493712 0.164008 0.642449 O\n0.164008 0.642449 0.493713 O\n0.642449 0.493712 0.164008 O\n0.361342 0.786159 0.069260 O\n0.786159 0.069259 0.361343 O\n0.069259 0.361342 0.786159 O\n0.069259 0.786159 0.361343 O\n0.786159 0.361342 0.069259 O\n0.361342 0.069259 0.786159 O\n0.586703 0.764987 0.964068 O\n0.391391 0.775783 0.391392 O\n0.998336 0.998337 0.264837 O\n0.998336 0.264836 0.998337 O\n0.264836 0.998337 0.998337 O\n0.174990 0.884951 0.174990 O\n0.884950 0.174990 0.174990 O\n0.174990 0.174990 0.884951 O\n0.391391 0.391391 0.775783 O\n0.964067 0.586704 0.764987 O\n0.775782 0.391391 0.391392 O\n0.554412 0.374087 0.554413 O\n0.374087 0.554413 0.554413 O\n0.554412 0.554413 0.374087 O\n0.586703 0.964067 0.764988 O\n0.764987 0.586704 0.964068 O\n0.964067 0.764987 0.586704 O\n0.774298 0.774298 0.774299 F\n",
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"formula_full": "Na1 Al6 Fe3 Si6 B3 O30 F1",
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{
"id": "jvasp-26739",
"created_at": "2022-09-04T14:38:29.199095Z",
"updated_at": "2022-09-04T14:38:29.199111Z",
"structure_string": "Hg6 As16 S16 Br12\n1.0\n0.000000 9.272473 -0.245736\n11.687104 0.000000 0.000000\n0.000000 -3.786271 -12.821129\nHg As S Br\n6 16 16 12\ndirect\n0.249441 0.792011 0.310329 Hg\n0.750559 0.292011 0.189671 Hg\n0.249441 0.707989 0.810329 Hg\n0.750559 0.207989 0.689671 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.639218 0.645069 0.310024 As\n0.647020 0.576534 0.926362 As\n0.352980 0.423466 0.073638 As\n0.602947 0.866384 -0.000802 As\n0.397053 0.133615 0.000802 As\n0.602947 0.633615 0.499198 As\n0.352980 0.076534 0.573638 As\n0.904779 0.819576 0.488086 As\n0.360782 0.145069 0.189976 As\n0.904779 0.680423 0.988086 As\n0.639218 0.854931 0.810024 As\n0.095221 0.319577 0.011914 As\n0.397053 0.366385 0.500802 As\n0.095221 0.180423 0.511914 As\n0.647020 0.923465 0.426362 As\n0.360782 0.354931 0.689976 As\n0.884763 0.800944 0.850928 S\n0.884763 0.699055 0.350928 S\n0.510239 0.813357 0.510597 S\n0.163616 0.184314 0.908760 S\n0.510239 0.686643 0.010597 S\n0.489761 0.186643 0.489403 S\n0.115236 0.199056 0.149072 S\n0.836384 0.815686 0.091240 S\n0.441620 0.329311 0.227643 S\n0.115237 0.300944 0.649072 S\n0.163616 0.315686 0.408760 S\n0.558380 0.829310 0.272357 S\n0.489761 0.313357 -0.010597 S\n0.558380 0.670689 0.772357 S\n0.441620 0.170689 0.727644 S\n0.836384 0.684314 0.591240 S\n0.267092 0.917612 0.775746 Br\n0.732908 0.082388 0.224255 Br\n0.237082 0.619243 0.568399 Br\n0.237082 0.880756 0.068399 Br\n0.131610 0.978579 0.335425 Br\n0.868390 0.021421 0.664575 Br\n0.762918 0.119244 0.931601 Br\n0.762918 0.380756 0.431601 Br\n0.131610 0.521421 0.835425 Br\n0.868390 0.478579 0.164575 Br\n0.732908 0.417612 0.724255 Br\n0.267092 0.582388 0.275746 Br\n",
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"formula_full": "Hg6 As16 S16 Br12",
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{
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