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"structure_string": "Ba2 Ni1 N2\n1.0\n3.932199 0.000000 -1.210012\n-0.371627 3.915405 -1.207680\n0.014478 0.011635 7.041326\nBa Ni N\n2 1 2\ndirect\n0.855042 0.855042 0.210085 Ba\n0.144957 0.144956 0.789916 Ba\n0.500000 0.499999 0.500000 Ni\n0.362792 0.362792 0.225587 N\n0.637207 0.637206 0.774413 N\n",
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"structure_string": "Ba4 N2 F2\n1.0\n-5.720867 -0.000475 -0.001255\n-0.001449 -5.704597 -0.001439\n2.860155 2.851338 5.759789\nBa N F\n4 2 2\ndirect\n0.770983 0.767201 0.533880 Ba\n0.236467 0.233422 0.466007 Ba\n0.487210 0.983456 0.966345 Ba\n0.020559 0.517532 0.034218 Ba\n0.991496 0.997371 -0.000081 N\n0.241665 0.747610 0.500325 N\n0.500290 0.499777 0.000517 F\n0.749909 0.249377 0.499771 F\n",
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{
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"structure_string": "Ba2 N1 F1\n1.0\n4.077260 -0.000000 0.000000\n0.000000 4.077260 0.000000\n-0.000000 -0.000000 5.565334\nBa N F\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 -0.000000 F\n",
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{
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{
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{
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