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"structure_string": "C1 Cl2\n1.0\n6.324617 0.000000 0.000000\n0.000000 4.198576 0.000000\n0.000000 0.000000 3.660301\nC Cl\n1 2\ndirect\n0.000000 0.274281 0.000000 C\n0.224634 0.038860 0.000000 Cl\n0.775366 0.038860 0.000000 Cl\n",
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{
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{
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{
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