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{
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{
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"structure_string": "Li1 Mn2 Ni1 O6\n1.0\n-2.895155 0.035723 -0.019118\n-0.081738 -5.772909 0.074078\n1.427886 1.550664 6.014917\nLi Mn Ni O\n1 2 1 6\ndirect\n0.500000 0.000001 0.500000 Li\n0.169928 0.820027 0.838492 Mn\n0.830073 0.179974 0.161508 Mn\n0.500000 0.500001 0.500000 Ni\n0.983669 0.259577 0.469990 O\n0.327762 0.952565 0.155240 O\n0.016332 0.740424 0.530011 O\n0.342141 0.400276 0.186368 O\n0.672239 0.047436 0.844760 O\n0.657860 0.599726 0.813632 O\n",
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"structure_string": "H14 C16 N2 O2\n1.0\n5.731462 0.037925 -1.171356\n-2.298354 7.140469 -1.125092\n-0.341907 -0.128822 7.392738\nH C N O\n14 16 2 2\ndirect\n0.060469 0.252721 0.025075 H\n0.903135 0.418472 0.377185 H\n0.695392 0.485510 0.205333 H\n0.710699 0.737536 0.063328 H\n0.332514 0.558196 0.997489 H\n0.652413 0.685129 0.431936 H\n0.604747 0.759402 0.726171 H\n0.211324 0.560413 0.654050 H\n0.141382 0.985553 0.504443 H\n0.168776 0.228546 0.362223 H\n0.658845 0.046051 0.945871 H\n0.766839 0.022868 0.285898 H\n0.117200 0.190380 0.732548 H\n0.338584 0.908444 0.672447 H\n0.172687 0.601909 0.937457 C\n0.087654 0.623546 0.253129 C\n0.821939 0.699547 0.974730 C\n0.761525 0.712688 0.786258 C\n0.866335 0.540037 0.325522 C\n0.030159 0.644968 0.055788 C\n0.895933 0.657857 0.664830 C\n0.104215 0.602049 0.744561 C\n0.351183 0.150708 0.961744 C\n0.275938 0.187556 0.271292 C\n0.216575 0.204251 0.083656 C\n0.314540 0.033643 0.622280 C\n0.476745 0.123966 0.348286 C\n0.613531 0.074670 0.227772 C\n0.551951 0.085277 0.037608 C\n0.535687 0.103944 0.546370 C\n0.281981 0.163024 0.773939 N\n0.819820 0.661861 0.475151 N\n0.749611 0.123978 0.646190 O\n0.302383 0.650902 0.356975 O\n",
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{
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"created_at": "2022-09-04T14:36:56.646708Z",
"updated_at": "2022-09-04T14:36:56.646732Z",
"structure_string": "Tb2 Yb4 Pr2 S12\n1.0\n0.000000 10.874604 -0.015145\n4.106837 0.000000 0.000000\n0.000000 -2.888869 -11.043965\nTb Yb Pr S\n2 4 2 12\ndirect\n0.170399 0.750001 0.030771 Tb\n0.829601 0.250000 0.969228 Tb\n0.947754 0.750001 0.350948 Yb\n0.052246 0.250000 0.649051 Yb\n0.671506 0.750001 0.584900 Yb\n0.328493 0.250000 0.415099 Yb\n0.528555 0.750001 0.182240 Pr\n0.471445 0.250000 0.817759 Pr\n0.597423 0.250000 0.384717 S\n0.402576 0.750001 0.615282 S\n0.271826 0.750001 0.727586 S\n0.728173 0.250000 0.272413 S\n0.301364 0.750001 0.260433 S\n0.628294 0.750001 0.967239 S\n0.950423 0.750001 0.106327 S\n0.049576 0.250000 0.893672 S\n0.900687 0.750001 0.571041 S\n0.371705 0.250000 0.032760 S\n0.698636 0.250000 0.739566 S\n0.099312 0.250000 0.428958 S\n",
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"structure_string": "Cd1 H16 C10 O4\n1.0\n3.902547 -0.072531 -0.427097\n-1.027564 4.171866 -0.459337\n-0.543155 -0.082542 15.551312\nCd H C O\n1 16 10 4\ndirect\n0.447590 0.962721 0.152575 Cd\n0.581191 0.849410 0.524062 H\n0.209808 0.619444 0.951843 H\n0.748971 0.561311 0.952237 H\n0.002379 0.530157 0.774426 H\n0.559883 0.459683 0.792815 H\n0.746348 0.415546 0.604633 H\n0.316782 0.352364 0.631521 H\n0.456801 0.288828 0.439012 H\n0.028724 0.220033 0.468039 H\n0.088433 0.080339 0.859304 H\n0.637045 -0.006916 0.871648 H\n0.858759 0.973638 0.688823 H\n0.422579 0.895069 0.711769 H\n0.302584 0.716883 0.361915 H\n0.883430 0.643409 0.393572 H\n0.154879 0.782958 0.552726 H\n-0.020436 0.276298 0.032256 C\n-0.039988 0.434906 0.949876 C\n0.865945 0.190260 0.865681 C\n0.771725 0.338921 0.783340 C\n0.645198 0.089624 0.700477 C\n0.239488 0.102831 0.455419 C\n0.374608 0.971656 0.537678 C\n0.096969 0.834694 0.377266 C\n0.927005 0.930635 0.294418 C\n0.522475 0.228338 0.618471 C\n0.245805 0.392574 0.095745 O\n0.955130 0.790834 0.218760 O\n0.729907 0.122624 0.298618 O\n0.731109 0.028299 0.034792 O\n",
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"structure_string": "In2 Ag1 Te3 I1\n1.0\n7.644211 -0.015029 1.202906\n6.328783 4.287271 1.202906\n0.132855 0.040620 7.931263\nIn Ag Te I\n2 1 3 1\ndirect\n0.565725 0.565725 0.822565 In\n0.807614 0.807614 0.061868 In\n0.312359 0.312359 0.531098 Ag\n0.003884 0.003884 0.040072 Te\n0.228906 0.228906 0.248927 Te\n0.758331 0.758331 0.732470 Te\n0.510679 0.510679 0.500501 I\n",
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