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"structure_string": "Ti1 P1 Cl2\n1.0\n3.462250 -0.000000 -0.000000\n0.000000 3.462250 -0.000000\n0.000000 0.000000 7.544921\nTi P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.791202 Ti\n0.000000 0.000000 0.709521 P\n0.000000 0.000000 0.427271 Cl\n0.500000 0.500000 0.082006 Cl\n",
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