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"structure_string": "Ba2 Ni1 O1\n1.0\n-0.000000 3.589196 3.589196\n3.589196 -0.000000 3.589196\n3.589196 3.589196 0.000000\nBa Ni O\n2 1 1\ndirect\n0.750002 0.750002 0.750002 Ba\n0.250001 0.250001 0.250001 Ba\n0.000000 0.000000 0.000000 Ni\n0.500001 0.500001 0.500001 O\n",
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