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{
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{
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{
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{
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"structure_string": "Cu2 O4\n1.0\n1.693831 -2.371526 0.479422\n2.719122 -0.897178 3.903770\n-3.972523 -2.384634 2.179259\nCu O\n2 4\ndirect\n0.997564 0.000081 0.004205 Cu\n0.497529 0.000114 0.504186 Cu\n0.238176 0.756133 0.669693 O\n0.738276 0.756073 0.169696 O\n0.256860 0.244081 0.838713 O\n0.756880 0.244113 0.338675 O\n",
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"structure_string": "Cu1 O2\n1.0\n2.768930 -0.000000 0.611861\n1.384465 3.035540 0.305931\n0.440035 -0.000000 4.579872\nCu O\n1 2\ndirect\n0.750000 0.500000 0.499999 Cu\n0.120376 0.500000 0.759246 O\n0.379624 0.500000 0.240753 O\n",
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{
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{
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"structure_string": "Cu2 O4 F2\n1.0\n3.010944 0.000000 0.739303\n0.444243 4.392502 -1.809265\n-3.004740 0.075357 5.736387\nCu O F\n2 4 2\ndirect\n0.852428 0.446528 0.704860 Cu\n0.147569 0.741668 0.295139 Cu\n0.055434 0.308718 0.110867 O\n0.944565 0.197851 0.889133 O\n0.442463 0.711810 0.884927 O\n0.557534 0.826883 0.115072 O\n0.745083 0.673297 0.490170 F\n0.254914 0.183127 0.509830 F\n",
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{
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"structure_string": "Cu2 O4 F2\n1.0\n-0.000000 -0.000000 4.617432\n4.290441 0.682846 0.000000\n-0.338369 4.331243 -0.000000\nCu O F\n2 4 2\ndirect\n0.000000 0.713805 0.713806 Cu\n0.500000 0.286194 0.286194 Cu\n0.726973 0.030669 0.765953 O\n0.773027 0.234046 0.969331 O\n0.226973 0.969331 0.234048 O\n0.273027 0.765953 0.030670 O\n0.250000 0.379024 0.620975 F\n0.750000 0.620975 0.379025 F\n",
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{
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