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"structure_string": "Ba1 Cl2\n1.0\n5.364572 0.000000 -1.102314\n0.000000 5.188088 0.000000\n-1.700926 0.000000 5.192828\nBa Cl\n1 2\ndirect\n0.466663 0.000000 0.133331 Ba\n-0.200298 0.000000 -0.199907 Cl\n0.133635 0.000000 0.466576 Cl\n",
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