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"structure_string": "Ba4 Se1 Br1\n1.0\n-0.000000 4.952026 4.952026\n4.952026 -0.000000 4.952026\n4.952026 4.952026 -0.000000\nBa Se Br\n4 1 1\ndirect\n0.122788 0.625738 0.625738 Ba\n0.625738 0.625738 0.625738 Ba\n0.625738 0.122788 0.625738 Ba\n0.625738 0.625738 0.122788 Ba\n0.000000 0.000000 0.000000 Se\n0.250000 0.250000 0.250000 Br\n",
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"structure_string": "Ba4 Si1 Br1\n1.0\n-0.000000 4.928179 4.928179\n4.928179 0.000000 4.928179\n4.928179 4.928179 -0.000000\nBa Si Br\n4 1 1\ndirect\n0.122629 0.625790 0.625790 Ba\n0.625790 0.625790 0.625790 Ba\n0.625790 0.122629 0.625790 Ba\n0.625790 0.625790 0.122629 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Br\n",
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