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{
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{
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{
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{
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"structure_string": "Ca1 Br2\n1.0\n9.319950 0.000000 -0.000000\n-0.000000 9.319950 -0.000000\n0.000000 -0.000000 9.652691\nCa Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.270057 Br\n0.000000 0.000000 0.729943 Br\n",
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