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{
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{
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{
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"structure_string": "Ca1 Pr3 Fe4 O12\n1.0\n7.834603 0.000000 0.000000\n0.000000 5.508775 0.000000\n0.000000 0.012039 5.602767\nCa Pr Fe O\n1 3 4 12\ndirect\n0.000000 0.491655 0.456732 Ca\n0.000000 0.010691 0.953444 Pr\n0.500000 0.510988 0.546249 Pr\n0.500000 0.990286 0.046955 Pr\n0.246055 0.499604 0.001921 Fe\n0.754482 0.001049 0.499260 Fe\n0.753945 0.499604 0.001921 Fe\n0.245518 0.001049 0.499260 Fe\n0.212284 0.203800 0.203984 O\n0.793389 0.291503 0.708022 O\n0.706622 0.790596 0.790437 O\n0.296984 0.712250 0.288251 O\n0.293378 0.790596 0.790437 O\n0.703016 0.712250 0.288251 O\n0.787716 0.203800 0.203984 O\n0.206611 0.291503 0.708022 O\n0.000000 0.581150 0.027379 O\n0.000000 0.914460 0.522493 O\n0.500000 0.422047 0.980133 O\n0.500000 0.081117 0.482865 O\n",
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{
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"structure_string": "Si46 O92\n1.0\n13.774841 0.000000 0.000000\n0.000000 13.774841 0.000000\n0.000000 0.000000 13.774841\nSi O\n46 92\ndirect\n0.000000 0.309838 0.112975 Si\n0.500000 0.387025 0.809838 Si\n0.500000 0.612975 0.190162 Si\n0.612975 0.809838 0.500000 Si\n0.387025 0.809838 0.500000 Si\n0.190162 0.500000 0.612975 Si\n0.809838 0.500000 0.612975 Si\n0.112975 0.000000 0.309838 Si\n0.309838 0.112975 0.000000 Si\n0.690162 0.887025 0.000000 Si\n0.112975 0.000000 0.690162 Si\n0.690162 0.112975 0.000000 Si\n0.887025 0.000000 0.309838 Si\n0.887025 0.000000 0.690162 Si\n0.309838 0.887025 0.000000 Si\n0.000000 0.690162 0.887025 Si\n0.000000 0.309838 0.887025 Si\n0.000000 0.690162 0.112975 Si\n0.809838 0.500000 0.387025 Si\n0.190162 0.500000 0.387025 Si\n0.612975 0.190162 0.500000 Si\n0.387025 0.190162 0.500000 Si\n0.500000 0.612975 0.809838 Si\n0.500000 0.387025 0.190162 Si\n0.182161 0.182161 0.182161 Si\n0.682161 0.317839 0.682161 Si\n0.682161 0.682161 0.317839 Si\n0.317839 0.682161 0.682161 Si\n0.817839 0.817839 0.182161 Si\n0.182161 0.817839 0.817839 Si\n0.817839 0.182161 0.817839 Si\n0.317839 0.317839 0.317839 Si\n0.817839 0.817839 0.817839 Si\n0.317839 0.682161 0.317839 Si\n0.317839 0.317839 0.682161 Si\n0.682161 0.317839 0.317839 Si\n0.182161 0.182161 0.817839 Si\n0.817839 0.182161 0.182161 Si\n0.182161 0.817839 0.182161 Si\n0.682161 0.682161 0.682161 Si\n0.250000 0.000000 0.500000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.000000 0.344288 0.000000 O\n0.500000 0.500000 0.844288 O\n0.500000 0.500000 0.155712 O\n0.500000 0.844288 0.500000 O\n0.155712 0.500000 0.500000 O\n0.844288 0.500000 0.500000 O\n0.000000 0.000000 0.344288 O\n0.344288 0.000000 0.000000 O\n0.655712 0.000000 0.000000 O\n0.000000 0.000000 0.655712 O\n0.000000 0.655712 0.000000 O\n0.500000 0.155712 0.500000 O\n0.096370 0.246225 0.134184 O\n0.596370 0.365816 0.746225 O\n0.596370 0.634184 0.253775 O\n0.634184 0.746225 0.403630 O\n0.365816 0.746225 0.596370 O\n0.253775 0.596370 0.634184 O\n0.746225 0.403630 0.634184 O\n0.134184 0.096370 0.246225 O\n0.246225 0.134184 0.096370 O\n0.753775 0.865816 0.096370 O\n0.134184 0.903630 0.753775 O\n0.753775 0.134184 0.903630 O\n0.865816 0.903630 0.246225 O\n0.865816 0.096370 0.753775 O\n0.246225 0.865816 0.903630 O\n0.096370 0.753775 0.865816 O\n0.903630 0.246225 0.865816 O\n0.903630 0.753775 0.134184 O\n0.746225 0.596370 0.365816 O\n0.253775 0.403630 0.365816 O\n0.634184 0.253775 0.596370 O\n0.365816 0.253775 0.403630 O\n0.403630 0.634184 0.746225 O\n0.403630 0.365816 0.253775 O\n0.903630 0.753775 0.865816 O\n0.403630 0.634184 0.253775 O\n0.403630 0.365816 0.746225 O\n0.365816 0.253775 0.596370 O\n0.634184 0.253775 0.403630 O\n0.746225 0.403630 0.365816 O\n0.253775 0.596370 0.365816 O\n0.865816 0.903630 0.753775 O\n0.753775 0.865816 0.903630 O\n0.246225 0.134184 0.903630 O\n0.865816 0.096370 0.246225 O\n0.246225 0.865816 0.096370 O\n0.134184 0.096370 0.753775 O\n0.134184 0.903630 0.246225 O\n0.753775 0.134184 0.096370 O\n0.903630 0.246225 0.134184 O\n0.096370 0.753775 0.134184 O\n0.096370 0.246225 0.865816 O\n0.253775 0.403630 0.634184 O\n0.746225 0.596370 0.634184 O\n0.365816 0.746225 0.403630 O\n0.634184 0.746225 0.596370 O\n0.596370 0.365816 0.253775 O\n0.596370 0.634184 0.746225 O\n0.000000 0.404444 0.182168 O\n0.500000 0.317832 0.904444 O\n0.500000 0.682168 0.095556 O\n0.682168 0.904444 0.500000 O\n0.317832 0.904444 0.500000 O\n0.095556 0.500000 0.682168 O\n0.904444 0.500000 0.682168 O\n0.182168 0.000000 0.404444 O\n0.404444 0.182168 0.000000 O\n0.595556 0.817832 0.000000 O\n0.182168 0.000000 0.595556 O\n0.595556 0.182168 0.000000 O\n0.817832 0.000000 0.404444 O\n0.817832 0.000000 0.595556 O\n0.404444 0.817832 0.000000 O\n0.000000 0.595556 0.817832 O\n0.000000 0.404444 0.817832 O\n0.000000 0.595556 0.182168 O\n0.904444 0.500000 0.317832 O\n0.095556 0.500000 0.317832 O\n0.682168 0.095556 0.500000 O\n0.317832 0.095556 0.500000 O\n0.500000 0.682168 0.904444 O\n0.500000 0.317832 0.095556 O\n0.250000 0.250000 0.250000 O\n0.750000 0.250000 0.750000 O\n0.750000 0.750000 0.250000 O\n0.250000 0.750000 0.750000 O\n0.750000 0.750000 0.750000 O\n0.250000 0.750000 0.250000 O\n0.250000 0.250000 0.750000 O\n0.750000 0.250000 0.250000 O\n",
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