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{
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{
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"structure_string": "Tl4 Cd4 Cl12\n1.0\n4.000012 0.000000 0.000000\n-0.000000 8.917183 0.000000\n0.000000 0.000000 14.852913\nTl Cd Cl\n4 4 12\ndirect\n0.250000 0.929397 0.323815 Tl\n0.750000 0.070602 0.676184 Tl\n0.250000 0.429398 0.176184 Tl\n0.750000 0.570602 0.823815 Tl\n0.250000 0.668536 0.557113 Cd\n0.750000 0.331464 0.442886 Cd\n0.250000 0.168536 0.942886 Cd\n0.750000 0.831464 0.057114 Cd\n0.250000 0.291007 0.787254 Cl\n0.750000 0.708993 0.212746 Cl\n0.750000 0.834759 0.494907 Cl\n0.250000 0.165240 0.505093 Cl\n0.750000 0.334760 0.005093 Cl\n0.750000 0.474976 0.602887 Cl\n0.750000 0.974976 0.897112 Cl\n0.250000 0.025024 0.102887 Cl\n0.750000 0.208993 0.287254 Cl\n0.250000 0.525024 0.397113 Cl\n0.250000 0.665240 0.994907 Cl\n0.250000 0.791006 0.712746 Cl\n",
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{
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"created_at": "2022-09-04T14:38:36.674302Z",
"updated_at": "2022-09-04T14:38:36.674328Z",
"structure_string": "Tl4 Cd4 Br12\n1.0\n4.168031 -0.000000 0.000000\n0.000000 9.393703 0.000000\n0.000000 0.000000 15.454657\nTl Cd Br\n4 4 12\ndirect\n0.250000 0.933253 0.324207 Tl\n0.750000 0.066746 0.675793 Tl\n0.250000 0.433254 0.175793 Tl\n0.750000 0.566746 0.824208 Tl\n0.250000 0.667323 0.557386 Cd\n0.750000 0.332677 0.442614 Cd\n0.250000 0.167323 0.942614 Cd\n0.750000 0.832677 0.057386 Cd\n0.250000 0.291278 0.784990 Br\n0.750000 0.708722 0.215011 Br\n0.750000 0.836741 0.493370 Br\n0.250000 0.163259 0.506630 Br\n0.750000 0.336741 0.006630 Br\n0.750000 0.474174 0.605476 Br\n0.750000 0.974174 0.894524 Br\n0.250000 0.025825 0.105476 Br\n0.750000 0.208722 0.284990 Br\n0.250000 0.525825 0.394524 Br\n0.250000 0.663258 0.993370 Br\n0.250000 0.791277 0.715011 Br\n",
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{
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"created_at": "2022-09-04T14:38:11.849906Z",
"updated_at": "2022-09-04T14:38:11.849926Z",
"structure_string": "Tl4 C2 S6\n1.0\n6.016027 -0.000000 2.321011\n2.677563 5.571936 2.017029\n0.037893 -0.034018 8.859013\nTl C S\n4 2 6\ndirect\n0.522304 0.687211 0.631301 Tl\n0.477695 0.312789 0.368699 Tl\n0.159184 0.187211 0.131301 Tl\n0.840815 0.812790 0.868698 Tl\n0.947985 0.750000 0.250000 C\n0.052015 0.250000 0.750000 C\n0.197321 0.689392 0.081843 S\n0.680669 0.750000 0.250000 S\n0.802678 0.310608 0.918157 S\n0.968555 0.810608 0.418157 S\n0.031444 0.189392 0.581843 S\n0.319331 0.250000 0.750000 S\n",
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{
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"structure_string": "Tl4 C4 O8\n1.0\n5.863330 0.000000 0.000000\n0.000000 6.588934 -1.044703\n0.000000 0.007130 6.623484\nTl C O\n4 4 8\ndirect\n0.440508 0.184329 0.825109 Tl\n0.059492 0.184329 0.325109 Tl\n0.940508 0.815670 0.674890 Tl\n0.559492 0.815670 0.174891 Tl\n0.594296 0.428909 0.444667 C\n0.094296 0.571090 0.055333 C\n0.405704 0.571090 0.555333 C\n0.905704 0.428909 0.944667 C\n0.757841 0.512534 0.363071 O\n0.926048 0.239701 0.944030 O\n0.242159 0.487465 0.636928 O\n0.257841 0.487465 0.136929 O\n0.426048 0.760298 0.555969 O\n0.073952 0.760298 0.055971 O\n0.742159 0.512534 0.863071 O\n0.573952 0.239701 0.444030 O\n",
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{
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"created_at": "2022-09-04T14:36:04.553584Z",
"updated_at": "2022-09-04T14:36:04.553614Z",
"structure_string": "Tl4 C2 O6\n1.0\n5.052022 -0.000265 2.045756\n1.805597 5.883153 2.801575\n0.034196 -0.032400 7.178271\nTl C O\n4 2 6\ndirect\n0.917791 0.861219 0.303266 Tl\n0.082210 0.138780 0.696734 Tl\n0.364142 0.510145 0.761581 Tl\n0.635859 0.489854 0.238419 Tl\n0.340070 0.126663 0.193335 C\n0.659932 0.873336 0.806665 C\n0.337274 0.959174 0.366365 O\n0.662727 0.040824 0.633635 O\n0.548768 0.212030 0.104100 O\n0.864796 0.787927 0.895840 O\n0.451233 0.787968 0.895900 O\n0.135206 0.212072 0.104160 O\n",
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{
"id": "jvasp-117927",
"created_at": "2022-09-04T14:38:53.211526Z",
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"structure_string": "Tl1 C2 N1\n1.0\n3.013461 -0.000000 0.000000\n-0.000000 3.013461 0.000000\n-0.000000 -0.000000 4.822171\nTl C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Tl\n0.000000 0.499999 -0.156857 C\n0.499999 0.000000 0.156857 C\n0.000000 0.000000 0.000000 N\n",
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{
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"updated_at": "2022-09-04T14:38:53.260379Z",
"structure_string": "Tl1 C1 N2\n1.0\n1.952906 1.127511 5.093349\n-1.952906 1.127511 5.093349\n-0.000000 -2.255021 5.093349\nTl C N\n1 1 2\ndirect\n0.992077 0.992077 0.992077 Tl\n0.579556 0.579556 0.579556 C\n0.418696 0.418696 0.418696 N\n0.498672 0.498672 0.498672 N\n",
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{
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{
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{
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"structure_string": "Tl1 Br4 O1\n1.0\n-4.244674 4.244673 2.063918\n4.244674 -4.244673 2.063918\n4.244673 4.244674 -2.063918\nTl Br O\n1 4 1\ndirect\n-0.017685 -0.017685 -0.000000 Tl\n0.118706 0.654185 0.808656 Br\n0.845528 0.310050 0.191344 Br\n0.654184 0.845528 0.535478 Br\n0.310050 0.118706 0.464521 Br\n0.482313 0.482313 -0.000000 O\n",
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