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{
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{
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"structure_string": "Cd2 I4\n1.0\n2.142630 -3.711143 0.000000\n2.142630 3.711143 0.000000\n0.000000 0.000000 13.750837\nCd I\n2 4\ndirect\n0.666667 0.333333 0.500062 Cd\n0.333333 0.666667 0.000062 Cd\n0.000000 0.000000 0.373856 I\n0.000000 0.000000 0.873857 I\n0.333333 0.666667 0.626082 I\n0.666667 0.333333 0.126081 I\n",
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{
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"structure_string": "Cd2 I4\n1.0\n4.224883 -0.006053 13.315251\n2.056755 3.690451 13.315251\n-0.010319 -0.006053 13.969447\nCd I\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500001 0.500000 Cd\n0.208711 0.208711 0.208711 I\n0.624630 0.624631 0.624629 I\n0.791289 0.791290 0.791288 I\n0.375370 0.375371 0.375370 I\n",
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{
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"structure_string": "Cd1 H14 C9 O4\n1.0\n4.065714 0.112645 0.006373\n1.661212 4.600241 0.421554\n-0.196405 -0.084424 11.801700\nCd H C O\n1 14 9 4\ndirect\n0.081011 0.991636 0.166704 Cd\n0.152708 0.674753 0.628172 H\n0.584718 0.420846 0.754432 H\n0.899389 0.555706 0.802519 H\n0.625172 0.004419 0.660717 H\n0.181719 0.230868 0.672875 H\n0.014757 -0.002148 0.535911 H\n0.763248 0.533944 0.547470 H\n0.885331 0.171147 0.940510 H\n0.913491 0.594420 0.019503 H\n0.099707 0.871349 0.818425 H\n0.426147 0.005107 0.861060 H\n0.354953 0.336684 0.458788 H\n0.122187 0.682690 0.382386 H\n0.601651 0.859820 0.454870 H\n0.431675 0.398952 0.017416 C\n0.662108 0.381327 0.933594 C\n0.634358 0.553095 0.820175 C\n0.366304 0.866714 0.800479 C\n0.522993 0.692594 0.502020 C\n0.244636 0.840608 0.586259 C\n0.383823 0.533352 0.416423 C\n0.626080 0.445962 0.318484 C\n0.362233 -0.000626 0.678208 C\n0.127230 0.651850 0.023320 O\n0.598362 0.633332 0.234091 O\n0.860035 0.187132 0.326032 O\n0.480486 0.189615 0.100409 O\n",
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"structure_string": "Ni9 O13\n1.0\n2.868826 -0.000839 -0.000579\n-1.433768 4.764483 -0.053941\n-1.430805 -2.336225 16.025572\nNi O\n9 13\ndirect\n0.000001 0.500000 0.500000 Ni\n0.397149 0.751371 0.042823 Ni\n0.602854 0.248629 0.957177 Ni\n0.667914 0.919599 0.415977 Ni\n0.332088 0.080401 0.584023 Ni\n0.186736 0.247090 0.125908 Ni\n0.813267 0.752910 0.874092 Ni\n0.329050 0.334720 0.322589 Ni\n0.670952 0.665280 0.677411 Ni\n0.996761 0.384170 0.609574 O\n0.003241 0.615830 0.390426 O\n0.300897 0.922182 0.680239 O\n0.699106 0.077818 0.319761 O\n0.428012 -0.003353 0.859698 O\n0.344803 0.463755 0.225391 O\n0.228286 0.524849 0.931896 O\n0.771716 0.475151 0.068104 O\n0.655200 0.536246 0.774609 O\n0.336936 0.202503 0.471408 O\n0.000000 0.000000 0.000000 O\n0.571992 0.003354 0.140302 O\n0.663066 0.797497 0.528592 O\n",
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