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"structure_string": "Th1 Si3 Rh1\n1.0\n4.311102 -0.000000 0.000000\n0.000000 4.311102 -0.000000\n-2.155551 -2.155551 4.844150\nTh Si Rh\n1 3 1\ndirect\n0.001105 0.001105 0.002211 Th\n0.409954 0.409954 0.819907 Si\n0.763598 0.263598 0.527197 Si\n0.263598 0.763598 0.527197 Si\n0.655743 0.655743 0.311487 Rh\n",
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