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"structure_string": "Ti1 N1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 8.466836\nTi N\n1 1\ndirect\n0.000000 0.000000 0.230541 Ti\n0.000000 0.000000 -0.077360 N\n",
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{
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