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"structure_string": "Cu8 O1\n1.0\n4.293964 1.095802 0.000000\n-1.144953 4.281120 0.000000\n0.000000 0.000000 5.498787\nCu O\n8 1\ndirect\n0.400805 0.178573 0.500000 Cu\n0.821427 0.599194 0.500000 Cu\n0.423947 0.201824 0.000000 Cu\n0.798176 0.576053 0.000000 Cu\n0.887909 0.112090 0.274188 Cu\n0.887909 0.112090 0.725813 Cu\n0.334334 0.665666 0.725793 Cu\n0.334334 0.665666 0.274207 Cu\n0.111157 0.888844 0.000000 O\n",
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"structure_string": "Ba1 Ca1 In1\n1.0\n0.000000 3.880197 3.880197\n3.880197 0.000000 3.880197\n3.880197 3.880197 0.000000\nBa Ca In\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750001 0.750001 0.750001 Ca\n0.000000 0.000000 0.000000 In\n",
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{
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{
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