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{
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"structure_string": "Ba1 Br1 N1\n1.0\n4.569725 0.000000 -0.000000\n0.000000 4.569725 0.000000\n-0.000000 -0.000000 7.206624\nBa Br N\n1 1 1\ndirect\n0.000000 0.000000 0.304843 Ba\n0.000000 0.000000 0.735197 Br\n0.000000 0.000000 -0.010316 N\n",
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"structure_string": "Ba1 Br1 F1\n1.0\n6.171874 0.000000 -0.000000\n0.000000 6.171874 -0.000000\n-0.000000 0.000000 9.138333\nBa Br F\n1 1 1\ndirect\n0.000000 0.000000 0.203392 Ba\n0.000000 0.000000 0.528357 Br\n0.000000 0.000000 -0.043558 F\n",
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"structure_string": "Ba1 Br1 Cl2\n1.0\n4.538873 0.000000 0.000000\n0.000000 4.538873 0.000000\n0.000000 0.000000 5.851803\nBa Br Cl\n1 1 2\ndirect\n0.500000 0.500000 0.618638 Ba\n0.000000 0.000000 0.876935 Br\n0.000000 0.000000 0.391957 Cl\n0.500000 0.500000 0.122469 Cl\n",
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{
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{
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