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"structure_string": "Ba1 Li1 Hg2\n1.0\n5.456563 0.000000 0.000000\n0.000000 5.456563 0.000000\n0.000000 0.000000 4.077712\nBa Li Hg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n",
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