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"structure_string": "Na1 Br1\n1.0\n0.000000 3.013798 3.013798\n3.013798 0.000000 3.013798\n3.013798 3.013798 0.000000\nNa Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Br\n",
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{
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