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{
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{
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{
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"formula_full": "Cu1 H6 N4 O4",
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{
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{
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"structure_string": "Li6 Ti4 Mn2 O12\n1.0\n-0.003321 -3.092412 5.055235\n6.240110 -3.000858 -0.102590\n3.480409 5.733388 0.030810\nLi Ti Mn O\n6 4 2 12\ndirect\n0.752070 0.326856 0.168112 Li\n0.248215 0.339416 0.165579 Li\n0.758431 0.986036 0.510127 Li\n0.260316 0.978856 0.509331 Li\n0.739943 0.687529 0.824104 Li\n0.241560 0.680905 0.823060 Li\n0.004122 0.007438 0.001730 Ti\n0.490509 0.008651 0.999063 Ti\n0.509452 0.658108 0.334159 Ti\n0.995876 0.659160 0.331596 Ti\n0.499991 0.333244 0.666696 Mn\n0.999990 0.333344 0.666719 Mn\n0.636597 0.996249 0.772140 O\n0.134722 0.993077 0.765940 O\n0.865175 0.673785 0.567252 O\n0.363292 0.670369 0.560972 O\n0.620128 0.690994 0.085856 O\n0.126078 0.688495 0.092832 O\n0.873857 0.978306 0.240350 O\n0.379828 0.975785 0.247374 O\n0.609140 0.367911 0.399888 O\n0.104632 0.370740 0.398020 O\n0.895297 0.295947 0.935491 O\n0.390777 0.298798 0.933608 O\n",
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{
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"structure_string": "Li3 Fe3 Ni1 O8\n1.0\n5.164704 -2.951172 0.000000\n5.164704 2.951172 0.000000\n3.478370 0.000000 4.825404\nLi Fe Ni O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Ni\n0.742726 0.742726 0.742726 O\n0.227371 0.761467 0.227371 O\n0.761467 0.227371 0.227371 O\n0.257274 0.257274 0.257274 O\n0.227371 0.227371 0.761467 O\n0.772629 0.238533 0.772629 O\n0.238533 0.772629 0.772629 O\n0.772629 0.772629 0.238533 O\n",
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}