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"structure_string": "K1 Br1\n1.0\n0.000000 3.351538 3.351538\n3.351538 0.000000 3.351538\n3.351538 3.351538 0.000000\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Br\n",
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{
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{
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