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"structure_string": "Ba2 I1\n1.0\n4.285590 0.000000 0.000000\n0.000000 4.102272 0.000000\n0.000000 0.000000 9.580304\nBa I\n2 1\ndirect\n-0.033335 0.000000 0.713992 Ba\n-0.033335 0.000000 0.286008 Ba\n0.466669 0.000000 0.000000 I\n",
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{
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