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"structure_string": "Nd3 Ti1\n1.0\n4.894561 0.000000 0.000000\n-0.000000 4.894561 0.000000\n-0.000000 -0.000000 4.894561\nNd Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Ti\n",
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{
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{
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