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{
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{
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{
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{
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{
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{
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{
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{
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"structure_string": "Cu4 H24 C16 O32\n1.0\n7.963854 0.000000 0.000000\n0.000000 8.558299 0.000000\n0.000000 0.000000 12.447313\nCu H C O\n4 24 16 32\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.101120 0.122088 0.768443 H\n0.195626 0.795831 0.556587 H\n0.898880 0.877912 0.231557 H\n0.117448 0.023884 0.387204 H\n0.101120 0.377912 0.268443 H\n0.898880 0.622088 0.731557 H\n0.601120 0.377912 0.231557 H\n0.117448 0.476116 0.887204 H\n0.695626 0.795831 0.943413 H\n0.382552 0.523884 0.387204 H\n0.304374 0.204169 0.056587 H\n0.804374 0.295831 0.943413 H\n0.398880 0.877912 0.268443 H\n0.617448 0.023884 0.112796 H\n0.882552 0.523884 0.112796 H\n0.882552 0.976116 0.612796 H\n0.195626 0.704169 0.056587 H\n0.304374 0.295831 0.556587 H\n0.398880 0.622088 0.768443 H\n0.601120 0.122088 0.731557 H\n0.695626 0.704169 0.443413 H\n0.804374 0.204169 0.443413 H\n0.382552 0.976116 0.887204 H\n0.617448 0.476116 0.612796 H\n0.003856 0.546741 0.757201 C\n0.767933 0.737224 0.007092 C\n0.503856 0.953259 0.242799 C\n0.996144 0.453259 0.242799 C\n0.996144 0.046741 0.742799 C\n0.267933 0.737224 0.492908 C\n0.732067 0.237224 0.007092 C\n0.232067 0.237224 0.492908 C\n0.732067 0.262776 0.507092 C\n0.232067 0.262776 0.992908 C\n0.496144 0.453259 0.257201 C\n0.003856 0.953259 0.257201 C\n0.503856 0.546741 0.742799 C\n0.496144 0.046741 0.757201 C\n0.767933 0.762776 0.507092 C\n0.267933 0.762776 0.992908 C\n0.406427 0.976984 0.692879 O\n0.400169 0.799745 0.456182 O\n0.406427 0.523016 0.192879 O\n0.020239 0.543575 0.863194 O\n0.593573 0.023016 0.307121 O\n0.520239 0.956425 0.136806 O\n0.479761 0.456425 0.363194 O\n0.099831 0.299745 0.456182 O\n0.020239 0.956425 0.363194 O\n0.283275 0.393930 0.956462 O\n0.283275 0.106070 0.456462 O\n0.479761 0.043575 0.863194 O\n0.520239 0.543575 0.636806 O\n0.906427 0.523016 0.307121 O\n0.979761 0.043575 0.636806 O\n0.979761 0.456425 0.136806 O\n0.599831 0.200255 0.543818 O\n0.906427 0.976984 0.807121 O\n0.593573 0.476984 0.807121 O\n0.099831 0.200255 0.956182 O\n0.900169 0.700255 0.543818 O\n0.900169 0.799745 0.043818 O\n0.783275 0.393930 0.543538 O\n0.716725 0.606070 0.043538 O\n0.400169 0.700255 0.956182 O\n0.599831 0.299745 0.043818 O\n0.093573 0.023016 0.192879 O\n0.216725 0.893930 0.956462 O\n0.716725 0.893930 0.543538 O\n0.093573 0.476984 0.692879 O\n0.783275 0.106070 0.043538 O\n0.216725 0.606070 0.456462 O\n",
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{
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"structure_string": "Ti6 Cr6 O18\n1.0\n5.209415 0.000000 0.000000\n-2.592297 4.545239 0.000000\n-0.153876 -0.695144 14.191250\nTi Cr O\n6 6 18\ndirect\n0.340708 0.668396 0.151710 Ti\n0.004809 0.992151 0.200081 Ti\n0.007987 0.006036 0.699879 Ti\n0.312208 0.660422 0.366166 Ti\n0.671806 0.348408 0.651769 Ti\n0.653429 0.313063 0.866498 Ti\n0.330633 0.654521 0.851393 Cr\n0.001595 0.994795 0.993982 Cr\n0.990837 0.004915 0.493892 Cr\n0.342175 0.683611 0.646034 Cr\n0.677638 0.334342 0.146534 Cr\n0.650360 0.321152 0.352114 Cr\n0.980011 0.296936 0.596353 O\n0.962837 0.293837 0.917163 O\n0.370595 0.341705 0.757033 O\n0.725048 0.705111 0.596061 O\n0.679757 0.651968 0.919016 O\n0.006953 0.657492 0.747483 O\n0.665450 0.028024 0.741113 O\n0.303538 0.052091 0.595649 O\n0.338030 0.009181 0.919366 O\n0.696620 0.970030 0.096675 O\n0.646352 0.970849 0.419833 O\n0.337187 0.971149 0.259000 O\n0.019598 0.361488 0.242892 O\n0.289380 0.303692 0.096339 O\n0.291916 0.336605 0.415746 O\n0.652963 0.655623 0.244749 O\n0.000471 0.672498 0.420076 O\n0.048678 0.739710 0.095402 O\n",
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}