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"structure_string": "Ir2\n1.0\n2.601856 0.000000 0.000000\n0.000000 2.665039 0.000000\n0.000000 -0.000000 4.615065\nIr\n2\ndirect\n0.000000 0.249981 0.250000 Ir\n0.000000 0.750019 0.749999 Ir\n",
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