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{
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{
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{
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"structure_string": "K4 Mn4 Br12\n1.0\n4.044341 0.000000 0.000000\n0.000000 9.241954 0.000000\n0.000000 0.000000 15.021558\nK Mn Br\n4 4 12\ndirect\n0.750000 0.566015 0.825036 K\n0.250000 0.433985 0.174964 K\n0.750000 0.066015 0.674965 K\n0.250000 0.933985 0.325036 K\n0.250000 0.165097 0.943918 Mn\n0.750000 0.834903 0.056082 Mn\n0.250000 0.665097 0.556082 Mn\n0.750000 0.334903 0.443918 Mn\n0.750000 0.977186 0.897079 Br\n0.250000 0.022814 0.102921 Br\n0.250000 0.169657 0.507280 Br\n0.750000 0.830342 0.492720 Br\n0.250000 0.669657 0.992720 Br\n0.750000 0.715804 0.210257 Br\n0.750000 0.215804 0.289743 Br\n0.250000 0.784196 0.710257 Br\n0.250000 0.522814 0.397079 Br\n0.250000 0.284196 0.789743 Br\n0.750000 0.330343 0.007280 Br\n0.750000 0.477186 0.602921 Br\n",
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{
"id": "jvasp-19374",
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"updated_at": "2022-09-04T14:38:16.468745Z",
"structure_string": "Ca4 Ni4 O12\n1.0\n5.256853 0.000000 0.000000\n0.000000 5.327508 0.000000\n0.000000 0.000000 7.428875\nCa Ni O\n4 4 12\ndirect\n0.988371 0.053959 0.250000 Ca\n0.488371 0.446041 0.750000 Ca\n0.511628 0.553959 0.250000 Ca\n0.011629 0.946042 0.750000 Ca\n0.500000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.202503 0.204995 0.959109 O\n0.702503 0.295005 0.040890 O\n0.297497 0.704995 0.959109 O\n0.797496 0.795005 0.040890 O\n0.202503 0.204995 0.540890 O\n0.418317 0.987010 0.250000 O\n0.081682 0.487009 0.250000 O\n0.581682 0.012991 0.750000 O\n0.297497 0.704995 0.540890 O\n0.918317 0.512991 0.750000 O\n0.702503 0.295005 0.459109 O\n0.797496 0.795005 0.459109 O\n",
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{
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"updated_at": "2022-09-04T14:38:16.125587Z",
"structure_string": "Li4 Mn8 O4 F12\n1.0\n6.200205 -0.000000 0.000000\n-0.000000 6.258346 0.000000\n0.000000 0.000000 8.972500\nLi Mn O F\n4 8 4 12\ndirect\n0.749999 0.965143 0.104960 Li\n0.250000 0.034858 0.895039 Li\n0.250000 0.534858 0.604960 Li\n0.749999 0.465142 0.395039 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.749999 0.260066 0.734247 Mn\n0.749999 0.760066 0.765753 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.250000 0.239935 0.234247 Mn\n0.250000 0.739935 0.265753 Mn\n0.749999 0.201064 0.514659 O\n0.250000 0.798937 0.485341 O\n0.250000 0.298937 0.014659 O\n0.749999 0.701064 0.985341 O\n0.749999 0.232251 0.976648 F\n0.250000 0.767750 0.023352 F\n0.999020 0.003902 0.758008 F\n0.500978 0.003902 0.758008 F\n0.999020 0.503902 0.741992 F\n0.500978 0.503902 0.741992 F\n0.250000 0.267749 0.476648 F\n0.749999 0.732251 0.523352 F\n0.499021 0.496099 0.258008 F\n0.000979 0.496099 0.258008 F\n0.000979 0.996099 0.241992 F\n0.499021 0.996099 0.241992 F\n",
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{
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"structure_string": "Nd4 Cu4\n1.0\n4.554238 0.000000 0.000000\n0.000000 5.610919 0.000000\n0.000000 0.000000 7.351007\nNd Cu\n4 4\ndirect\n0.250000 0.374513 0.679661 Nd\n0.750000 0.625487 0.320339 Nd\n0.750000 0.874513 0.820340 Nd\n0.250000 0.125487 0.179661 Nd\n0.250000 0.878870 0.535537 Cu\n0.750000 0.121130 0.464464 Cu\n0.750000 0.378870 0.964464 Cu\n0.250000 0.621130 0.035537 Cu\n",
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{
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"structure_string": "Th4 Si4\n1.0\n4.195734 -0.000000 0.000000\n-0.000000 5.930512 0.000000\n0.000000 0.000000 7.959194\nTh Si\n4 4\ndirect\n0.250000 0.125442 0.179938 Th\n0.749999 0.874557 0.820061 Th\n0.749999 0.625442 0.320062 Th\n0.250000 0.374557 0.679938 Th\n0.250000 0.632334 0.039623 Si\n0.749999 0.367665 0.960377 Si\n0.749999 0.132334 0.460377 Si\n0.250000 0.867665 0.539623 Si\n",
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{
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{
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"structure_string": "In4 Bi4 O12\n1.0\n5.663693 0.000000 0.000000\n-0.000000 6.075817 0.000000\n0.000000 0.000000 8.176873\nIn Bi O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.011736 0.952550 0.250000 Bi\n0.988263 0.047450 0.750000 Bi\n0.488263 0.452550 0.250000 Bi\n0.511736 0.547451 0.750000 Bi\n0.131044 0.450720 0.750000 O\n0.327184 0.684564 0.057507 O\n0.672815 0.315436 0.557506 O\n0.172815 0.184564 0.442493 O\n0.631044 0.049280 0.250000 O\n0.868956 0.549281 0.250000 O\n0.827184 0.815437 0.942493 O\n0.172815 0.184564 0.057507 O\n0.827184 0.815437 0.557506 O\n0.368956 0.950720 0.750000 O\n0.327184 0.684564 0.442493 O\n0.672815 0.315436 0.942493 O\n",
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}