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"structure_string": "Ba1 Ca1 Ti4\n1.0\n-0.000000 4.256127 4.256127\n4.256127 0.000000 4.256127\n4.256127 4.256127 -0.000000\nBa Ca Ti\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ca\n0.087224 0.637593 0.637593 Ti\n0.637593 0.637593 0.637593 Ti\n0.637593 0.087224 0.637593 Ti\n0.637593 0.637593 0.087224 Ti\n",
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