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"structure_string": "Ti1 O1 F1\n1.0\n2.875895 0.000000 -0.000000\n0.000000 2.875895 0.000000\n0.000000 0.000000 3.957396\nTi O F\n1 1 1\ndirect\n0.499999 0.499999 0.999871 Ti\n0.000000 0.000000 0.999905 O\n0.499999 0.499999 0.499863 F\n",
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