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{
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{
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{
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"structure_string": "Sb16 Pb6 S30\n1.0\n6.783124 -5.853006 0.000000\n6.783124 5.853006 0.000000\n-1.758935 0.000000 17.787733\nPb S Sb\n6 30 16\ndirect\n0.261958 0.118515 0.164832 Pb\n0.626315 0.373685 0.250000 Pb\n0.881485 0.738042 0.335168 Pb\n0.118515 0.261958 0.664832 Pb\n0.373685 0.626314 0.750000 Pb\n0.738042 0.881484 0.835168 Pb\n0.233042 0.293453 0.036386 S\n0.170450 0.889802 0.037327 S\n0.605648 0.449075 0.087519 S\n0.571196 0.050555 0.098460 S\n0.933863 0.197512 0.159538 S\n0.946683 0.596677 0.162243 S\n0.598915 0.691094 0.249065 S\n0.183469 0.816530 0.250000 S\n0.308906 0.401085 0.250935 S\n0.403323 0.053317 0.337757 S\n0.802488 0.066137 0.340462 S\n0.949445 0.428804 0.401540 S\n0.550925 0.394352 0.412481 S\n0.110198 0.829550 0.462673 S\n0.706547 0.766958 0.463613 S\n0.293453 0.233042 0.536387 S\n0.889801 0.170450 0.537327 S\n0.449075 0.605648 0.587518 S\n0.050556 0.571196 0.598460 S\n0.197512 0.933864 0.659538 S\n0.596677 0.946683 0.662243 S\n0.691093 0.598915 0.749065 S\n0.816530 0.183469 0.750000 S\n0.401085 0.308907 0.750935 S\n0.053317 0.403324 0.837757 S\n0.066137 0.802488 0.840462 S\n0.428804 0.949444 0.901540 S\n0.394353 0.550925 0.912481 S\n0.829550 0.110198 0.962673 S\n0.766958 0.706546 0.963614 S\n0.496235 0.763853 0.001342 Sb\n0.882961 0.394166 0.063757 Sb\n0.860524 0.960892 0.074812 Sb\n0.225407 0.587621 0.157501 Sb\n0.412379 0.774593 0.342498 Sb\n0.039108 0.139476 0.425189 Sb\n0.605834 0.117039 0.436243 Sb\n0.236147 0.503765 0.498658 Sb\n0.763853 0.496235 0.501342 Sb\n0.394166 0.882961 0.563756 Sb\n0.960891 0.860524 0.574812 Sb\n0.587620 0.225407 0.657501 Sb\n0.774593 0.412379 0.842499 Sb\n0.139476 0.039109 0.925188 Sb\n0.117039 0.605834 0.936244 Sb\n0.503766 0.236148 0.998658 Sb\n",
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{
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"created_at": "2022-09-04T15:26:48.393263Z",
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"structure_string": "Sn2 S32 I8\n1.0\n0.000000 0.000000 -11.717109\n-10.757657 -0.000000 5.858555\n0.000000 11.201383 -5.858555\nI S Sn\n8 32 2\ndirect\n0.766219 0.791040 0.002254 I\n0.035867 0.006118 0.198855 I\n0.484721 0.506118 0.301146 I\n0.018472 0.291040 0.497747 I\n0.225178 0.708960 0.502254 I\n0.279749 0.493882 0.698854 I\n0.228604 0.993882 0.801146 I\n0.977433 0.208960 0.997746 I\n0.465981 0.210907 0.010915 S\n0.382535 0.326467 0.012352 S\n0.657928 0.316047 0.024879 S\n0.334301 0.654952 0.143458 S\n0.913486 0.639584 0.160678 S\n0.546000 0.005369 0.185894 S\n0.166007 0.483394 0.205685 S\n0.867464 0.471774 0.216966 S\n0.334431 0.971774 0.283034 S\n0.621692 0.983394 0.294315 S\n0.981896 0.505370 0.314106 S\n0.324163 0.139583 0.339322 S\n0.727761 0.154953 0.356542 S\n0.932808 0.816048 0.475121 S\n0.644886 0.826466 0.487649 S\n0.726896 0.710907 0.489085 S\n0.505075 0.289093 0.510915 S\n0.306068 0.173533 0.512351 S\n0.591881 0.183952 0.524879 S\n0.929350 0.845048 0.643458 S\n0.523902 0.860416 0.660677 S\n0.790632 0.494631 0.685894 S\n0.932614 0.016606 0.705684 S\n0.645689 0.028225 0.716967 S\n0.612656 0.528226 0.783034 S\n0.888298 0.516606 0.794315 S\n0.726525 0.994631 0.814106 S\n0.434580 0.360417 0.839322 S\n0.822808 0.345047 0.856542 S\n0.366760 0.683952 0.975121 S\n0.068420 0.673533 0.987649 S\n0.265988 0.789093 0.989085 S\n0.000737 0.000000 0.000000 Sn\n0.250736 0.500000 0.500001 Sn\n",
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{
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"created_at": "2022-09-04T15:45:49.141220Z",
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"structure_string": "Ba20 Tl10\n1.0\n13.563980 0.000000 0.000000\n0.000000 13.563980 0.000000\n0.000000 0.000000 7.669416\nBa Tl\n20 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.291410 0.080811 0.138703 Ba\n0.580811 0.208590 0.138703 Ba\n0.419189 0.791410 0.138703 Ba\n0.708590 0.919189 0.138703 Ba\n0.083821 0.284383 0.345558 Ba\n0.784383 0.416179 0.345558 Ba\n0.215617 0.583821 0.345558 Ba\n0.916179 0.715617 0.345558 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.715617 0.083821 0.654442 Ba\n0.416179 0.215617 0.654442 Ba\n0.583821 0.784383 0.654442 Ba\n0.284383 0.916179 0.654442 Ba\n0.919189 0.291410 0.861298 Ba\n0.208590 0.419189 0.861298 Ba\n0.791410 0.580811 0.861298 Ba\n0.080811 0.708590 0.861298 Ba\n0.000000 0.500000 0.121872 Tl\n0.839206 0.156882 0.250194 Tl\n0.343118 0.339206 0.250194 Tl\n0.656882 0.660794 0.250194 Tl\n0.160794 0.843118 0.250194 Tl\n0.156882 0.160794 0.749807 Tl\n0.660794 0.343118 0.749807 Tl\n0.339206 0.656882 0.749807 Tl\n0.843118 0.839206 0.749807 Tl\n0.500000 0.000000 0.878128 Tl\n",
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{
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"structure_string": "Rb16 Si4 Se16\n1.0\n7.026631 -3.811109 0.000000\n7.026631 3.811109 0.000000\n-4.141409 0.000000 26.340318\nRb Se Si\n16 16 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.358318 0.332792 0.019234 Rb\n0.082792 0.695121 0.153421 Rb\n0.355033 0.084682 0.166985 Rb\n0.750915 0.249085 0.250000 Rb\n0.915318 0.644967 0.333015 Rb\n0.304879 0.917208 0.346579 Rb\n0.667208 0.641682 0.480766 Rb\n0.000000 0.000000 0.500000 Rb\n0.332792 0.358318 0.519234 Rb\n0.695121 0.082792 0.653421 Rb\n0.084682 0.355033 0.666985 Rb\n0.249085 0.750915 0.750000 Rb\n0.644967 0.915318 0.833015 Rb\n0.917208 0.304879 0.846579 Rb\n0.641682 0.667208 0.980766 Rb\n0.973507 0.396967 0.076157 Se\n0.408662 0.707119 0.082856 Se\n0.712701 0.181759 0.123105 Se\n0.747351 0.610821 0.201587 Se\n0.389179 0.252649 0.298413 Se\n0.818241 0.287299 0.376895 Se\n0.292881 0.591338 0.417144 Se\n0.603033 0.026493 0.423843 Se\n0.396967 0.973507 0.576157 Se\n0.707119 0.408662 0.582856 Se\n0.181759 0.712701 0.623105 Se\n0.610821 0.747351 0.701587 Se\n0.252649 0.389179 0.798413 Se\n0.287299 0.818241 0.876895 Se\n0.591338 0.292881 0.917144 Se\n0.026493 0.603033 0.923843 Se\n0.711608 0.472617 0.121695 Si\n0.527383 0.288392 0.378305 Si\n0.472617 0.711608 0.621695 Si\n0.288392 0.527383 0.878305 Si\n",
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{
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"structure_string": "Zr22 Sb36\n1.0\n-6.828083 0.000000 0.000000\n0.000000 -6.828083 0.000000\n3.414042 3.414042 30.256515\nSb Zr\n36 22\ndirect\n0.239192 0.360623 0.029983 Sb\n0.790792 0.669359 0.029983 Sb\n0.884730 0.223681 0.084592 Sb\n0.199861 0.860912 0.084592 Sb\n0.408519 0.238209 0.138714 Sb\n0.730194 0.900505 0.138714 Sb\n0.800851 0.442999 0.192629 Sb\n0.391778 0.749630 0.192629 Sb\n0.281927 0.375000 0.250000 Sb\n0.968073 0.875000 0.250000 Sb\n0.449149 0.000370 0.307371 Sb\n0.858221 0.307001 0.307371 Sb\n0.519806 0.511790 0.361286 Sb\n0.841480 0.849496 0.361286 Sb\n0.050139 0.526321 0.415408 Sb\n0.365270 0.889089 0.415408 Sb\n0.010808 0.080640 0.470017 Sb\n0.459209 0.389377 0.470017 Sb\n0.919359 0.540791 0.529983 Sb\n0.610623 0.989192 0.529983 Sb\n0.473681 0.634730 0.584592 Sb\n0.110911 0.949861 0.584592 Sb\n0.488209 0.158520 0.638714 Sb\n0.150504 0.480194 0.638714 Sb\n0.999630 0.141779 0.692629 Sb\n0.692999 0.550851 0.692629 Sb\n0.625000 0.031927 0.750000 Sb\n0.125000 0.718073 0.750000 Sb\n0.250370 0.199149 0.807371 Sb\n0.557001 0.608222 0.807371 Sb\n0.761790 0.269806 0.861287 Sb\n0.099496 0.591481 0.861287 Sb\n0.139088 0.115270 0.915408 Sb\n0.776321 0.800138 0.915408 Sb\n0.639377 0.209210 0.970018 Sb\n0.330640 0.760808 0.970018 Sb\n0.000000 0.000000 0.000000 Zr\n0.523999 0.023999 0.047998 Zr\n0.547773 0.547773 0.095547 Zr\n0.066758 0.566758 0.133516 Zr\n0.089002 0.089002 0.178004 Zr\n0.612950 0.112950 0.225900 Zr\n0.637050 0.637050 0.274100 Zr\n0.160998 0.660998 0.321996 Zr\n0.183242 0.183242 0.366484 Zr\n0.702226 0.202226 0.404453 Zr\n0.726001 0.726001 0.452002 Zr\n0.250000 0.750000 0.500000 Zr\n0.273999 0.273999 0.547998 Zr\n0.797773 0.297774 0.595547 Zr\n0.816758 0.816758 0.633516 Zr\n0.339002 0.839002 0.678004 Zr\n0.362950 0.362950 0.725900 Zr\n0.887050 0.387050 0.774100 Zr\n0.910998 0.910998 0.821996 Zr\n0.433242 0.933241 0.866483 Zr\n0.452226 0.452226 0.904453 Zr\n0.976001 0.476001 0.952002 Zr\n",
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{
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