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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:47:22.862861Z",
"structure_string": "Na3 Tl1 H24 Cl6 O12\n1.0\n8.774744 0.000000 0.000000\n2.543240 8.401598 0.000000\n2.496837 2.193292 8.203279\nNa Tl H Cl O\n3 1 24 6 12\ndirect\n0.357064 0.317808 0.321541 Na\n0.503222 0.479790 0.514792 Na\n0.669938 0.669368 0.693289 Na\n0.020308 0.978902 0.980426 Tl\n0.138958 0.128793 0.399418 H\n0.110869 0.391527 0.142825 H\n0.117422 0.477781 0.133782 H\n0.138440 0.133842 0.482994 H\n0.386893 0.128026 0.075934 H\n0.168815 0.437973 0.609403 H\n0.141338 0.608641 0.482221 H\n0.562476 0.127619 0.081363 H\n0.490913 0.108069 0.625470 H\n0.447102 0.620852 0.179898 H\n0.376295 0.826861 0.540287 H\n0.367676 0.556329 0.831158 H\n0.615304 0.503003 0.136615 H\n0.629804 0.126444 0.473437 H\n0.479135 0.383297 0.886058 H\n0.521675 0.832887 0.388235 H\n0.442411 0.894230 0.904500 H\n0.835378 0.544326 0.392426 H\n0.845423 0.387260 0.542366 H\n0.613690 0.934941 0.851464 H\n0.952170 0.394526 0.882567 H\n0.966899 0.924045 0.364541 H\n0.842871 0.635901 0.981951 H\n0.860559 0.937548 0.639413 H\n0.181962 0.213941 0.822732 Cl\n0.266867 0.854769 0.143329 Cl\n0.170999 0.780693 0.797941 Cl\n0.867153 0.151395 0.191811 Cl\n0.820946 0.777238 0.153119 Cl\n0.808538 0.118640 0.785071 Cl\n0.214679 0.498981 0.499364 O\n0.449714 0.189812 0.100442 O\n0.514186 0.511141 0.220490 O\n0.520087 0.183074 0.517042 O\n0.473549 0.484796 0.797535 O\n0.484760 0.767321 0.497845 O\n0.535290 0.906343 0.811076 O\n0.775179 0.491544 0.498861 O\n0.781213 0.571660 0.956330 O\n0.831330 0.878770 0.576034 O\n0.894256 0.503451 0.825289 O\n0.986247 0.836037 0.465117 O\n",
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{
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"structure_string": "H14 Br2 O6\n1.0\n3.261493 5.818305 0.000000\n-3.261493 5.818305 0.000000\n0.000000 0.226380 6.124774\nH Br O\n14 2 6\ndirect\n0.138074 0.519070 0.457858 H\n0.184958 0.678811 0.612282 H\n0.519070 0.138074 0.957858 H\n0.678811 0.184958 0.112282 H\n0.021485 0.963849 0.864331 H\n0.258323 0.931291 0.745840 H\n0.476118 0.754188 0.232501 H\n0.319571 0.736645 0.033640 H\n0.309861 0.644250 0.302410 H\n0.754188 0.476118 0.732501 H\n0.736645 0.319571 0.533640 H\n0.644250 0.309861 0.802410 H\n0.963849 0.021485 0.364331 H\n0.931291 0.258323 0.245840 H\n0.452193 0.012407 0.500216 Br\n0.012407 0.452193 0.000216 Br\n0.148653 0.660796 0.461126 O\n0.660796 0.148653 0.961126 O\n0.188276 0.850212 0.833392 O\n0.419947 0.653984 0.173566 O\n0.653984 0.419947 0.673566 O\n0.850212 0.188276 0.333392 O\n",
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{
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