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"structure_string": "Ba1 Cu2 Cl1\n1.0\n4.214123 0.000000 0.000000\n0.000000 4.214123 0.000000\n0.000000 0.000000 5.732969\nBa Cu Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cl\n",
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"structure_string": "Ba1 Cu1 Cl2\n1.0\n4.257683 0.000000 0.000000\n0.000000 4.263983 0.000000\n0.000000 0.000000 5.975445\nBa Cu Cl\n1 1 2\ndirect\n0.500000 0.500000 0.799926 Ba\n0.000000 0.000000 0.408753 Cu\n0.000000 0.000000 0.982306 Cl\n0.500000 0.500000 0.309017 Cl\n",
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{
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