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"structure_string": "Cu1 O1\n1.0\n2.593052 0.000000 1.497099\n0.864351 2.444753 1.497099\n-0.000000 -0.000000 2.994199\nCu O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.499999 0.500001 O\n",
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