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"structure_string": "B1 C1 F2\n1.0\n3.189268 0.000000 0.000000\n0.000000 3.189268 -0.000000\n0.000000 -0.000000 4.198843\nB C F\n1 1 2\ndirect\n0.500000 0.500000 0.350417 B\n0.000000 0.000000 0.340534 C\n0.000000 0.000000 0.657998 F\n0.500000 0.500000 0.661050 F\n",
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