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"structure_string": "La1 S1\n1.0\n4.765147 -0.000000 0.000000\n-2.382574 4.126739 -0.000000\n0.000000 0.000000 3.980749\nLa S\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.333334 0.666668 0.000000 S\n",
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