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"structure_string": "Ba1 Zr1 P2 O8\n1.0\n2.654413 -4.597578 -0.000000\n2.654413 4.597578 0.000000\n-0.000000 -0.000000 7.522330\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zr\n0.333332 0.666666 0.252308 P\n0.666666 0.333332 0.747692 P\n0.824277 0.175722 0.673322 O\n0.175722 0.351444 0.326678 O\n0.175722 0.824277 0.326678 O\n0.351444 0.175722 0.673322 O\n0.824276 0.648555 0.673322 O\n0.666666 0.333332 0.949024 O\n0.333332 0.666666 0.050976 O\n0.648555 0.824276 0.326678 O\n",
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}