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{
"id": "jvasp-22029",
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"structure_string": "Ba4 Re12 S22\n1.0\n8.530668 0.004029 8.498063\n3.532137 7.765071 8.498063\n0.006255 0.004029 12.041152\nBa Re S\n4 12 22\ndirect\n0.811954 0.811953 0.811951 Ba\n0.688048 0.688047 0.688046 Ba\n0.188048 0.188047 0.188047 Ba\n0.311953 0.311953 0.311952 Ba\n0.381292 0.708585 0.511529 Re\n0.791415 0.118709 0.988469 Re\n0.618709 0.291415 0.488470 Re\n0.118710 0.988470 0.791414 Re\n0.488471 0.618709 0.291414 Re\n0.011530 0.208585 0.881290 Re\n0.208586 0.881291 0.011529 Re\n0.881291 0.011530 0.208585 Re\n0.988471 0.791415 0.118708 Re\n0.511530 0.381291 0.708584 Re\n0.291415 0.488470 0.618708 Re\n0.708586 0.511530 0.381290 Re\n0.187384 0.793819 0.427978 S\n0.793819 0.427979 0.187382 S\n0.427980 0.187383 0.793818 S\n0.590904 0.590904 0.590903 S\n0.706182 0.312617 0.072020 S\n0.909097 0.909096 0.909095 S\n0.409097 0.409096 0.409096 S\n0.090904 0.090904 0.090904 S\n0.484295 0.750000 0.015705 S\n0.750000 0.015706 0.484294 S\n0.015706 0.484294 0.749999 S\n0.515706 0.250000 0.984293 S\n0.250001 0.984294 0.515705 S\n0.984295 0.515706 0.249999 S\n0.206182 0.572021 0.812616 S\n0.572022 0.812617 0.206181 S\n0.812618 0.206181 0.572020 S\n0.687384 0.927979 0.293818 S\n0.927980 0.293819 0.687382 S\n0.293820 0.687383 0.927978 S\n0.072021 0.706181 0.312617 S\n0.312618 0.072021 0.706181 S\n",
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{
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"structure_string": "Na4 Bi10 Au2 O22\n1.0\n3.924996 -0.000000 -0.000000\n0.000000 12.380168 -0.000000\n0.000000 0.000000 12.380168\nNa Bi Au O\n4 10 2 22\ndirect\n0.000000 0.205632 0.294368 Na\n0.000000 0.705632 0.205632 Na\n0.000000 0.294368 0.794368 Na\n0.000000 0.794368 0.705632 Na\n0.500000 0.952173 0.229213 Bi\n0.000000 0.000000 0.500000 Bi\n0.500000 0.547827 0.729213 Bi\n0.500000 0.047827 0.770787 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.270787 0.547827 Bi\n0.500000 0.770787 0.952173 Bi\n0.500000 0.229213 0.047827 Bi\n0.500000 0.729213 0.452173 Bi\n0.500000 0.452173 0.270787 Bi\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.889230 0.120694 O\n0.500000 0.500000 0.000000 O\n0.000000 0.389230 0.379306 O\n0.000000 0.673015 0.003632 O\n0.000000 0.120694 0.110770 O\n0.500000 0.212251 0.712251 O\n0.500000 0.000000 0.500000 O\n0.000000 0.379306 0.610770 O\n0.000000 0.326985 0.996369 O\n0.000000 0.826985 0.503632 O\n0.000000 0.496368 0.826985 O\n0.000000 0.879306 0.889230 O\n0.000000 0.996369 0.673015 O\n0.500000 0.287749 0.212251 O\n0.500000 0.787749 0.287749 O\n0.000000 0.503632 0.173015 O\n0.000000 0.110770 0.879306 O\n0.000000 0.003632 0.326985 O\n0.000000 0.620694 0.389230 O\n0.000000 0.173015 0.496368 O\n0.500000 0.712251 0.787749 O\n0.000000 0.610770 0.620694 O\n",
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{
"id": "jvasp-63819",
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"updated_at": "2022-09-04T14:35:57.023613Z",
"structure_string": "Li2 B12 H20 O4\n1.0\n4.463736 5.388645 0.022094\n-4.463736 5.388645 0.022094\n0.000000 3.479410 6.338312\nLi B H O\n2 12 20 4\ndirect\n0.361685 0.361685 0.516568 Li\n0.638315 0.638315 0.483431 Li\n0.798292 0.997148 0.221203 B\n0.949271 0.949271 0.810602 B\n0.823865 0.823865 0.084162 B\n0.176134 0.176134 0.915836 B\n0.090988 0.768694 0.968311 B\n0.050729 0.050729 0.189396 B\n0.909012 0.231305 0.031688 B\n0.768694 0.090988 0.968311 B\n0.997148 0.798292 0.221203 B\n0.201707 0.002851 0.778795 B\n0.002851 0.201707 0.778795 B\n0.231305 0.909012 0.031688 B\n0.603681 0.155403 0.946320 H\n0.087089 0.087089 0.322093 H\n0.912910 0.912910 0.677905 H\n0.698233 0.698233 0.145434 H\n0.301767 0.301767 0.854565 H\n0.155403 0.603681 0.946320 H\n0.396318 0.844596 0.053678 H\n0.844596 0.396318 0.053678 H\n0.992568 0.654111 0.379175 H\n0.721860 0.546523 0.830881 H\n0.007432 0.345889 0.620823 H\n0.654111 0.992568 0.379175 H\n0.453477 0.278140 0.169117 H\n0.546523 0.721860 0.830881 H\n0.278140 0.453477 0.169117 H\n0.757584 0.300958 0.376982 H\n0.699042 0.242416 0.623016 H\n0.242416 0.699042 0.623016 H\n0.300958 0.757584 0.376982 H\n0.345889 0.007432 0.620823 H\n0.376025 0.376025 0.242212 O\n0.337911 0.662089 0.499999 O\n0.662089 0.337911 0.499999 O\n0.623975 0.623975 0.757786 O\n",
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{
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"structure_string": "Ti6 Bi8 O24\n1.0\n5.450845 0.000000 0.000000\n0.000000 5.406039 -0.899317\n0.000000 0.006005 16.734348\nTi Bi O\n6 8 24\ndirect\n0.003678 0.327545 0.743569 Ti\n0.503677 0.083977 0.256431 Ti\n0.496322 0.827545 0.743569 Ti\n0.996322 0.583977 0.256431 Ti\n0.500000 0.965112 -0.000000 Ti\n0.000000 0.465112 -0.000000 Ti\n0.503198 0.434088 0.867752 Bi\n0.980415 0.796869 0.577840 Bi\n0.480415 0.719029 0.422160 Bi\n0.519584 0.296869 0.577840 Bi\n0.003199 0.066337 0.132248 Bi\n0.996801 0.934088 0.867752 Bi\n0.019584 0.219029 0.422160 Bi\n0.496801 0.566337 0.132248 Bi\n0.245816 -0.005741 0.502160 O\n0.924298 0.475800 0.117168 O\n0.075701 0.358632 0.882832 O\n0.254183 0.494259 0.502159 O\n0.745816 -0.007901 0.497841 O\n0.698559 0.765473 0.249766 O\n0.747908 0.675713 0.979670 O\n0.301440 0.515707 0.750234 O\n0.801440 0.265473 0.249766 O\n0.198559 0.015706 0.750234 O\n0.221071 0.825562 0.220392 O\n0.778929 0.605170 0.779608 O\n0.278929 0.325562 0.220392 O\n0.721070 0.105170 0.779608 O\n0.442906 0.135389 0.362001 O\n0.557093 0.773388 0.637999 O\n0.057093 0.635389 0.362001 O\n0.942906 0.273388 0.637999 O\n0.575701 0.975800 0.117168 O\n0.424298 0.858632 0.882832 O\n0.752090 0.175713 0.979670 O\n0.247909 0.196044 0.020330 O\n0.252091 0.696044 0.020330 O\n0.754183 0.492100 0.497840 O\n",
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{
"id": "jvasp-22923",
"created_at": "2022-09-04T14:37:32.449358Z",
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"structure_string": "K7 Nb1 S6 O24\n1.0\n8.772107 -0.025571 -3.115899\n-4.405990 7.585366 -3.115898\n-0.014769 -0.025572 9.309053\nK Nb S O\n7 1 6 24\ndirect\n0.683226 0.837637 0.339242 K\n0.339242 0.683227 0.837636 K\n0.837636 0.339243 0.683226 K\n0.316774 0.162364 0.660758 K\n0.660758 0.316774 0.162364 K\n0.162364 0.660758 0.316774 K\n0.500000 0.500001 0.500000 K\n0.000000 0.000000 0.000000 Nb\n0.741956 0.613277 0.967114 S\n0.386724 0.032886 0.258044 S\n0.258045 0.386724 0.032886 S\n0.032886 0.258045 0.386723 S\n0.613277 0.967115 0.741956 S\n0.967115 0.741956 0.613277 S\n0.466283 0.783405 0.637468 O\n0.105799 0.240393 0.026955 O\n0.759607 0.973045 0.894201 O\n0.973045 0.894202 0.759607 O\n0.894202 0.759608 0.973044 O\n0.567497 0.091472 0.830527 O\n0.533717 0.216596 0.362532 O\n0.091472 0.830528 0.567496 O\n0.830528 0.567497 0.091472 O\n0.432504 0.908529 0.169473 O\n0.908529 0.169473 0.432504 O\n0.169473 0.432504 0.908528 O\n0.689874 0.016586 0.640880 O\n0.016585 0.640881 0.689873 O\n0.640881 0.689874 0.016585 O\n0.310127 0.983415 0.359120 O\n0.983415 0.359120 0.310127 O\n0.359120 0.310127 0.983415 O\n0.240393 0.026956 0.105798 O\n0.026955 0.105799 0.240393 O\n0.362533 0.533718 0.216596 O\n0.216596 0.362533 0.533717 O\n0.637468 0.466283 0.783404 O\n0.783405 0.637468 0.466283 O\n",
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"structure_string": "Na6 Sr2 B10 O20\n1.0\n6.888213 -0.004204 2.430911\n3.407674 6.655151 1.206709\n0.042941 0.058616 9.731463\nNa Sr B O\n6 2 10 20\ndirect\n0.277466 0.017242 0.114304 Na\n0.722532 0.982760 0.885696 Na\n0.849686 0.505133 0.163661 Na\n0.150312 0.494869 0.836339 Na\n0.206024 0.281175 0.446516 Na\n0.793974 0.718826 0.553484 Na\n0.210452 0.948447 0.773753 Sr\n0.789546 0.051554 0.226247 Sr\n0.306578 0.624921 0.285137 B\n0.841375 0.249305 0.454686 B\n0.158624 0.750696 0.545314 B\n0.859006 0.324801 0.921365 B\n0.140993 0.675200 0.078635 B\n0.506721 0.228501 0.622907 B\n0.493278 0.771500 0.377093 B\n0.608923 0.668812 0.864076 B\n0.391075 0.331189 0.135923 B\n0.693421 0.375080 0.714863 B\n0.825579 0.250429 0.814962 O\n0.174420 0.749572 0.185038 O\n0.159289 0.650420 0.436671 O\n0.982521 0.220163 0.320697 O\n0.017478 0.779838 0.679303 O\n0.763089 0.535180 0.936234 O\n0.491091 0.862512 0.894080 O\n0.508908 0.137489 0.105920 O\n0.681366 0.178331 0.490060 O\n0.318632 0.821670 0.509940 O\n0.526847 0.312002 0.730932 O\n0.586086 0.590280 0.753194 O\n0.413912 0.409721 0.246806 O\n0.840709 0.349581 0.563328 O\n0.667698 0.798412 0.357943 O\n0.987505 0.206320 0.002826 O\n0.012493 0.793681 0.997174 O\n0.332300 0.201589 0.642057 O\n0.236909 0.464821 0.063765 O\n0.473151 0.687999 0.269068 O\n",
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{
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"created_at": "2022-09-04T14:38:41.706789Z",
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"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290578 0.114077 0.391140\n1.446163 7.646215 1.750649\n0.032281 0.035410 10.787550\nH Pb C O\n16 2 12 8\ndirect\n0.321520 0.834320 0.316276 H\n0.872302 0.124590 0.698588 H\n0.873023 0.625132 0.698322 H\n0.782904 0.357293 0.658893 H\n0.781968 0.857813 0.658889 H\n0.298057 0.855420 0.548529 H\n0.370029 0.124008 0.592088 H\n0.370500 0.623768 0.592178 H\n0.298382 0.355656 0.548507 H\n0.824043 0.835747 0.422403 H\n0.896201 0.103860 0.466085 H\n0.896548 0.604095 0.466063 H\n0.411679 0.102180 0.355720 H\n0.412657 0.601641 0.355723 H\n0.322244 0.334883 0.316003 H\n0.824506 0.335508 0.422495 H\n0.098076 0.479679 0.007217 Pb\n0.096540 0.979824 0.007386 Pb\n0.676387 0.240344 0.680367 C\n0.468849 0.248215 0.801056 C\n0.469345 0.747647 0.801203 C\n0.489065 0.236419 0.567173 C\n0.489093 0.736346 0.567194 C\n0.676406 0.740533 0.680322 C\n0.725229 0.711833 0.213396 C\n0.705484 0.723156 0.447397 C\n0.518173 0.219137 0.334231 C\n0.518173 0.718938 0.334277 C\n0.725717 0.211252 0.213546 C\n0.705496 0.223087 0.447418 C\n0.555909 0.632964 0.903793 O\n0.981644 0.595866 0.215282 O\n0.981318 0.094639 0.215810 O\n0.638657 0.826504 0.110803 O\n0.640342 0.325777 0.110761 O\n0.212951 0.863628 0.799321 O\n0.213243 0.364823 0.798806 O\n0.554245 0.133678 0.903833 O\n",
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"structure_string": "Zn2 H16 C4 S4 N12\n1.0\n6.631783 0.000000 -1.981988\n0.000000 14.920772 0.000000\n-0.049822 0.000000 4.188360\nZn H C S N\n2 16 4 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.220656 0.529197 0.405444 H\n0.279344 0.029197 0.594556 H\n0.779344 0.470802 0.594555 H\n0.720656 0.970802 0.405444 H\n0.246662 0.626336 0.607448 H\n0.253338 0.126336 0.392552 H\n0.753338 0.373664 0.392551 H\n0.746662 0.873664 0.607448 H\n0.366948 0.658984 0.186750 H\n0.133052 0.158984 0.813249 H\n0.633052 0.341016 0.813249 H\n0.866948 0.841016 0.186750 H\n0.577612 0.628262 0.476313 H\n0.922388 0.128262 0.523686 H\n0.422388 0.371738 0.523687 H\n0.077612 0.871738 0.476313 H\n0.125019 0.373683 0.048568 C\n0.374982 0.873683 0.951431 C\n0.625018 0.126317 0.048568 C\n0.874981 0.626316 0.951431 C\n0.492256 0.207627 0.130519 S\n0.007744 0.707627 0.869481 S\n0.507743 0.792373 0.869480 S\n0.992256 0.292373 0.130519 S\n0.276597 0.933787 0.006075 N\n0.776597 0.566213 0.006075 N\n0.723403 0.066213 0.993924 N\n0.325917 0.574041 0.543264 N\n0.174084 0.074041 0.456736 N\n0.440367 0.605390 0.327684 N\n0.825916 0.925959 0.543263 N\n0.059633 0.105390 0.672316 N\n0.559633 0.394610 0.672316 N\n0.940367 0.894610 0.327683 N\n0.674083 0.425959 0.456736 N\n0.223403 0.433787 0.993925 N\n",
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