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"structure_string": "Li2 B2\n1.0\n4.363117 -0.011321 -0.867666\n-0.884819 2.733759 -3.396089\n0.026299 0.011321 4.448476\nLi B\n2 2\ndirect\n0.500001 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.972690 0.750001 0.222689 B\n0.027310 0.250000 0.777311 B\n",
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