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{
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{
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{
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{
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"structure_string": "Ba2 I1 Br1 F2\n1.0\n4.623364 0.000000 0.000000\n0.000000 4.623364 0.000000\n0.000000 0.000000 7.991386\nBa I Br F\n2 1 1 2\ndirect\n0.500000 0.500000 0.827396 Ba\n0.000000 0.000000 0.185191 Ba\n0.000000 0.000000 0.641387 I\n0.500000 0.500000 0.340098 Br\n0.500000 0.000000 0.002964 F\n0.000000 0.500000 0.002964 F\n",
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{
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{
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{
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{
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