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            "structure_string": "Sr1 Os1 O3\n1.0\n3.984858 -0.000000 -0.000000\n0.000000 3.984858 -0.000000\n0.000000 0.000000 3.984858\nSr Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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            "nsites": 3,
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            "structure_string": "Sr1 P1 Cl2\n1.0\n4.439099 0.000000 0.000000\n0.000000 4.439099 0.000000\n0.000000 0.000000 5.685997\nSr P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.676886 Sr\n0.000000 0.000000 0.770543 P\n0.000000 0.000000 0.395000 Cl\n0.500000 0.500000 0.167571 Cl\n",
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            "structure_string": "Sr1 P1 F1\n1.0\n3.536426 -0.000000 -0.000000\n-0.000000 3.536426 -0.000000\n0.000000 0.000000 6.959581\nSr P F\n1 1 1\ndirect\n0.000000 0.000000 -0.007283 Sr\n0.000000 0.000000 0.587420 P\n0.000000 0.000000 0.338063 F\n",
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            "structure_string": "Sr1 P1 F2\n1.0\n3.448187 0.000000 -0.000000\n-0.000000 3.448187 0.000000\n-0.000000 0.000000 6.318151\nSr P F\n1 1 2\ndirect\n0.500001 0.500001 0.582570 Sr\n0.000000 0.000000 0.981822 P\n0.000000 0.000000 0.477139 F\n0.500001 0.500001 0.968469 F\n",
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}