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"structure_string": "Tl4 Fe4 C12 N4 O16\n1.0\n8.785761 -0.000000 -0.000000\n0.000000 8.785761 -0.000000\n-0.000000 -0.000000 8.785761\nTl Fe C N O\n4 4 12 4 16\ndirect\n0.061292 0.061292 0.061292 Tl\n0.561292 0.438707 0.938707 Tl\n0.938707 0.561292 0.438707 Tl\n0.438707 0.938707 0.561292 Tl\n0.556322 0.556322 0.556322 Fe\n0.943678 0.443678 0.056322 Fe\n0.056322 0.943678 0.443678 Fe\n0.443678 0.056322 0.943678 Fe\n0.643423 0.059184 0.908185 C\n0.356577 0.559184 0.591815 C\n0.059184 0.908185 0.643423 C\n0.143423 0.440816 0.091815 C\n0.559184 0.591815 0.356577 C\n0.940815 0.408185 0.856576 C\n0.440816 0.091815 0.143423 C\n0.856576 0.940815 0.408185 C\n0.091815 0.143423 0.440816 C\n0.591815 0.356577 0.559184 C\n0.908185 0.643423 0.059184 C\n0.408185 0.856576 0.940815 C\n0.665513 0.665513 0.665513 N\n0.834487 0.334487 0.165513 N\n0.165513 0.834487 0.334487 N\n0.334487 0.165513 0.834487 N\n0.568278 0.618598 0.226618 O\n0.273382 0.431722 0.118598 O\n0.226618 0.568278 0.618598 O\n0.618598 0.226618 0.568278 O\n0.726618 0.931722 0.381402 O\n0.118598 0.273382 0.431722 O\n0.431722 0.118598 0.273382 O\n0.931722 0.381402 0.726618 O\n0.773382 0.068278 0.881402 O\n0.068278 0.881402 0.773382 O\n0.881402 0.773382 0.068278 O\n0.755661 0.255661 0.244339 O\n0.244339 0.755661 0.255661 O\n0.255661 0.244339 0.755661 O\n0.381402 0.726618 0.931722 O\n0.744339 0.744339 0.744339 O\n",
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{
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"structure_string": "Tl2 Cu2 H2 Se2 O10\n1.0\n9.088021 0.000000 -0.707803\n0.000000 5.967415 0.000000\n-0.017089 0.000000 4.589825\nTl Cu H Se O\n2 2 2 2 10\ndirect\n0.611660 0.250000 0.884377 Tl\n0.388340 0.750001 0.115624 Tl\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.901373 0.250000 0.590654 H\n0.098627 0.750001 0.409347 H\n0.233582 0.250000 0.511951 Se\n0.766418 0.750001 0.488050 Se\n0.618556 0.750001 0.677496 O\n0.381444 0.250000 0.322505 O\n0.221572 0.016827 0.707784 O\n0.778427 0.516828 0.292218 O\n0.898346 0.250000 0.805195 O\n0.221572 0.483173 0.707784 O\n0.101653 0.750001 0.194807 O\n0.072806 0.250000 0.274775 O\n0.778427 0.983174 0.292218 O\n0.927193 0.750001 0.725227 O\n",
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{
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"created_at": "2022-09-04T14:36:20.803831Z",
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"structure_string": "Tl2 Cu2 H2 S2 O10\n1.0\n8.842240 0.000000 -0.886728\n0.000000 5.877755 0.000000\n-0.033881 0.000000 4.516345\nTl Cu H S O\n2 2 2 2 10\ndirect\n0.604870 0.250000 0.886481 Tl\n0.395130 0.749999 0.113520 Tl\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.892893 0.250000 0.589183 H\n0.107107 0.749999 0.410817 H\n0.227325 0.250000 0.510706 S\n0.772675 0.749999 0.489295 S\n0.641148 0.749999 0.660799 O\n0.358852 0.250000 0.339202 O\n0.220529 0.041262 0.689753 O\n0.779471 0.541261 0.310247 O\n0.891026 0.250000 0.807004 O\n0.220529 0.458738 0.689753 O\n0.108975 0.749999 0.192997 O\n0.078953 0.250000 0.291743 O\n0.779471 0.958737 0.310247 O\n0.921047 0.749999 0.708258 O\n",
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"structure_string": "Tl6 Cu6 H6 C6 O24\n1.0\n10.992189 -0.000000 0.000000\n-5.496094 9.519515 -0.000000\n-0.000000 -0.000000 6.072120\nTl Cu H C O\n6 6 6 6 24\ndirect\n0.867695 0.720564 0.250000 Tl\n0.852869 0.132305 0.250000 Tl\n0.279437 0.147132 0.250000 Tl\n0.132305 0.279437 0.750000 Tl\n0.147132 0.867695 0.750000 Tl\n0.720564 0.852869 0.750000 Tl\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.803494 0.403778 0.250000 H\n0.600284 0.196506 0.250000 H\n0.596223 0.399716 0.250000 H\n0.196507 0.596223 0.750000 H\n0.399717 0.803494 0.750000 H\n0.403778 0.600284 0.750000 H\n0.428969 0.192699 0.750000 C\n0.807301 0.236270 0.750000 C\n0.763731 0.571032 0.750000 C\n0.571032 0.807301 0.250000 C\n0.192700 0.763731 0.250000 C\n0.236270 0.428969 0.250000 C\n0.719826 0.104305 0.750000 O\n0.104305 0.384479 0.250000 O\n0.615522 0.719826 0.250000 O\n0.280175 0.895696 0.250000 O\n0.302702 0.449851 0.062226 O\n0.550150 0.852851 0.062226 O\n0.147150 0.697298 0.062226 O\n0.697298 0.550149 0.562226 O\n0.449851 0.147149 0.562226 O\n0.852851 0.302702 0.562226 O\n0.697298 0.550149 0.937774 O\n0.449851 0.147149 0.937774 O\n0.302702 0.449851 0.437774 O\n0.550150 0.852851 0.437774 O\n0.147150 0.697298 0.437774 O\n0.495934 0.607226 0.750000 O\n0.392775 0.888708 0.750000 O\n0.111293 0.504067 0.750000 O\n0.504067 0.392775 0.250000 O\n0.607226 0.111292 0.250000 O\n0.888708 0.495933 0.250000 O\n0.384479 0.280174 0.750000 O\n0.852851 0.302702 0.937774 O\n0.895696 0.615522 0.750000 O\n",
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"structure_string": "Ti1 Mn1 H12 O6 F6\n1.0\n-4.887412 2.821750 3.276923\n-0.000000 -5.643497 3.276923\n4.887413 2.821748 3.276923\nTi Mn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Mn\n0.217369 0.780050 0.723768 H\n0.723768 0.217368 0.780051 H\n0.975820 0.708834 0.647431 H\n0.647431 0.975821 0.708834 H\n0.352568 0.024177 0.291165 H\n0.219948 0.276229 0.782632 H\n0.276230 0.782632 0.219948 H\n0.780050 0.723770 0.217367 H\n0.782629 0.219949 0.276230 H\n0.291165 0.352567 0.024178 H\n0.708832 0.647431 0.975822 H\n0.024178 0.291165 0.352567 H\n0.233883 0.229076 0.921135 O\n0.078864 0.766118 0.770924 O\n0.770924 0.078863 0.766119 O\n0.229075 0.921137 0.233881 O\n0.766118 0.770924 0.078863 O\n0.921136 0.233882 0.229076 O\n0.450495 0.766470 0.621802 F\n0.378197 0.549504 0.233529 F\n0.549504 0.233530 0.378196 F\n0.766470 0.621802 0.450494 F\n0.233529 0.378196 0.549504 F\n0.621802 0.450495 0.766470 F\n",
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