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"structure_string": "Ti1 N1\n1.0\n2.636069 0.000000 -0.000000\n-0.000000 2.636069 0.000000\n0.000000 0.000000 2.636069\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 N\n",
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"structure_string": "Ti1 N1\n1.0\n2.604148 -0.000000 1.503505\n0.868050 2.455213 1.503505\n0.000000 0.000000 3.007010\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.500002 N\n",
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{
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"structure_string": "Ti1 N1 F2\n1.0\n2.924647 0.000000 -0.000000\n-0.000000 2.924647 -0.000000\n0.000000 -0.000000 5.417510\nTi N F\n1 1 2\ndirect\n0.500001 0.500001 0.745465 Ti\n0.000000 0.000000 0.749251 N\n0.000000 0.000000 0.094587 F\n0.500001 0.500001 0.420698 F\n",
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{
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{
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