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"structure_string": "I1 Br1 Cl1\n1.0\n3.477819 -0.000000 -0.000000\n-0.000000 3.477819 0.000000\n-0.000000 0.000000 8.844395\nI Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.685840 I\n0.000000 0.000000 0.013749 Br\n0.000000 0.000000 0.270019 Cl\n",
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"structure_string": "P1 Cl2\n1.0\n6.680391 0.000000 0.000000\n0.000000 4.216912 0.000000\n0.000000 0.000000 3.188105\nP Cl\n1 2\ndirect\n0.000000 0.297360 0.000000 P\n0.243808 -0.004680 0.000000 Cl\n0.756192 -0.004680 0.000000 Cl\n",
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