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{
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"structure_string": "I1 Br1\n1.0\n4.329666 0.000000 0.000000\n0.000000 4.329666 -0.000000\n0.000000 -0.000000 4.119789\nI Br\n1 1\ndirect\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "I2 Br2\n1.0\n4.239212 -0.032786 0.000000\n-1.475790 3.974171 0.000000\n0.000000 0.000000 8.801784\nI Br\n2 2\ndirect\n0.500003 0.500003 0.625453 I\n0.499996 0.499995 0.125453 I\n0.843500 0.843500 0.375447 Br\n0.156499 0.156499 0.875447 Br\n",
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{
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{
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"structure_string": "I1 Br3\n1.0\n5.822527 -0.632427 -0.213850\n4.891228 -4.552760 0.982686\n-0.174135 1.406470 -6.701782\nI Br\n1 3\ndirect\n0.138656 0.559634 0.528508 I\n0.746153 0.164438 0.935176 Br\n0.392374 0.699832 0.292265 Br\n0.926496 0.428119 0.729745 Br\n",
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{
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"structure_string": "I2 Br1\n1.0\n4.349434 -1.049828 0.813130\n-0.641091 -4.245619 -0.266414\n-0.959715 -3.031680 -6.079559\nI Br\n2 1\ndirect\n0.667496 0.002745 0.375638 I\n0.359743 -0.008079 0.699898 I\n0.989746 0.004175 0.056426 Br\n",
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{
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"structure_string": "I2 Br1\n1.0\n5.703309 0.000000 -0.000399\n0.000000 3.886129 0.000000\n-0.000580 0.000000 6.120553\nI Br\n2 1\ndirect\n-0.033381 0.000000 -0.033331 I\n-0.033250 0.000000 0.466683 I\n0.466631 0.000000 -0.033352 Br\n",
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{
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"structure_string": "I3 Cl1\n1.0\n5.998539 -0.793936 0.580867\n-1.265024 -4.099222 -0.533583\n-1.828688 -4.457311 -7.112174\nI Cl\n3 1\ndirect\n-0.017693 0.977087 0.042448 I\n0.578878 0.330652 0.256137 I\n0.340166 0.545446 0.840184 I\n0.759092 0.165994 0.593817 Cl\n",
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