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"structure_string": "P1 H1 F2\n1.0\n3.163665 -0.000000 0.000000\n-0.000000 3.163665 -0.000000\n0.000000 -0.000000 4.990266\nP H F\n1 1 2\ndirect\n0.499999 0.499999 0.463730 P\n0.000000 0.000000 0.169851 H\n0.000000 0.000000 0.595344 F\n0.499999 0.499999 0.781077 F\n",
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