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"structure_string": "Ba1 I2\n1.0\n4.938912 0.000000 0.000000\n0.000000 5.462895 0.000000\n0.000000 0.000000 8.765572\nBa I\n1 2\ndirect\n0.466687 0.000000 0.000000 Ba\n-0.033344 0.000000 0.741396 I\n-0.033344 0.000000 0.258603 I\n",
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