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"structure_string": "Al2 Cu1\n1.0\n0.000000 4.098680 0.000000\n2.897805 -2.049340 2.049340\n0.000000 0.000000 -4.098680\nAl Cu\n2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.250000 0.500001 0.750000 Cu\n",
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{
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{
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