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"structure_string": "Ba1 Ca1 Br2\n1.0\n4.202621 0.000000 0.000000\n0.000000 4.202621 0.000000\n0.000000 0.000000 7.942024\nBa Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.810577 Ba\n0.000000 0.000000 0.389702 Ca\n0.000000 0.000000 0.006735 Br\n0.500000 0.500000 0.292985 Br\n",
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"structure_string": "Ba1 Ca1 Br2\n1.0\n4.202282 0.000000 0.000000\n0.000000 4.202128 0.000000\n0.000000 0.000000 7.943162\nBa Ca Br\n1 1 2\ndirect\n0.500000 0.500000 0.810460 Ba\n0.000000 0.000000 0.389650 Ca\n0.000000 0.000000 0.006793 Br\n0.500000 0.500000 0.293095 Br\n",
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{
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"structure_string": "Cd2 C4 O8\n1.0\n0.000000 5.911163 -0.061787\n5.256133 0.000000 0.000000\n0.000000 -3.514362 -5.329300\nCd C O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.456412 0.877700 0.918116 C\n0.543588 0.122299 0.081885 C\n0.456412 0.622299 0.418116 C\n0.543588 0.377701 0.581885 C\n0.373575 0.267209 0.610763 O\n0.214340 0.696735 0.322916 O\n0.785660 0.303264 0.677085 O\n0.214341 0.803264 0.822916 O\n0.626425 0.732790 0.389237 O\n0.626425 0.767209 0.889237 O\n0.785660 0.196736 0.177085 O\n0.373575 0.232790 0.110763 O\n",
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