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"structure_string": "Si1 H1 I1\n1.0\n4.802118 -0.000000 0.000000\n-2.401059 4.158756 0.000000\n0.000000 -0.000000 3.528198\nSi H I\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Si\n0.000000 0.000000 0.000000 H\n0.333333 0.666667 0.000000 I\n",
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