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"structure_string": "K3 C1 O1\n1.0\n5.136441 0.000000 -0.000000\n-0.000000 5.136441 -0.000000\n0.000000 0.000000 5.136441\nK C O\n3 1 1\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 O\n",
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"structure_string": "H6 C2 N2 O4\n1.0\n4.127613 -0.093013 -0.050437\n-0.446774 4.553132 -0.161613\n0.258436 0.162783 6.062473\nH C N O\n6 2 2 4\ndirect\n0.383522 0.965164 0.242881 H\n0.883533 0.465160 0.742911 H\n0.218023 0.157751 0.657655 H\n0.718009 0.657769 0.157683 H\n0.069702 0.078499 0.066162 H\n0.569721 0.578470 0.566175 H\n0.188358 0.105666 0.225812 C\n0.688373 0.605658 0.725825 C\n0.099242 0.961012 0.599222 N\n0.599239 0.461029 0.099241 N\n0.947605 0.056564 0.389227 O\n0.447616 0.556581 0.889242 O\n0.834571 0.912697 0.747341 O\n0.334557 0.412700 0.247350 O\n",
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{
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"structure_string": "Te1 O1 F1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nTe O F\n1 1 1\ndirect\n0.000000 0.000000 0.758141 Te\n0.000000 0.000000 -0.003773 O\n0.000000 0.000000 0.194644 F\n",
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