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"structure_string": "Ce1 S1\n1.0\n3.476629 0.000000 2.007232\n1.158876 3.277796 2.007232\n0.000000 0.000000 4.014464\nCe S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500001 0.500001 0.499998 S\n",
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