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"structure_string": "Ti1 Al1\n1.0\n2.872112 -0.000000 0.000000\n-1.436056 2.487322 0.000000\n-0.000000 0.000000 4.644037\nTi Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.500000 Al\n",
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