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"structure_string": "Ba4 Ni1 Br1\n1.0\n-0.000000 5.732542 5.732542\n5.732542 -0.000000 5.732542\n5.732542 5.732542 -0.000000\nBa Ni Br\n4 1 1\ndirect\n0.124263 0.625245 0.625245 Ba\n0.625245 0.625245 0.625245 Ba\n0.625245 0.124263 0.625245 Ba\n0.625245 0.625245 0.124263 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Br\n",
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