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{
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{
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{
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{
"id": "mp-569124",
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"structure_string": "Mn4 H48 C8 N8 Cl16\n1.0\n7.284671 0.000000 0.000000\n0.000000 7.284671 0.000000\n0.000000 0.000000 19.693592\nMn H C N Cl\n4 48 8 8 16\ndirect\n0.250000 0.750000 0.750000 Mn\n0.750000 0.250000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.250000 Mn\n0.805516 0.305516 0.029038 H\n0.905274 0.243503 0.143832 H\n0.256497 0.594726 0.143832 H\n0.743503 0.405274 0.143832 H\n0.194484 0.694484 0.029038 H\n0.750273 0.424522 0.445841 H\n0.075478 0.749727 0.445841 H\n0.756497 0.905274 0.856168 H\n0.688649 0.188649 0.167950 H\n0.594726 0.743503 0.856168 H\n0.424522 0.750273 0.054159 H\n0.811351 0.311351 0.332050 H\n0.188649 0.311351 0.832050 H\n0.243503 0.094726 0.856168 H\n0.905274 0.756497 0.643832 H\n0.575478 0.249727 0.054159 H\n0.094726 0.756497 0.143832 H\n0.250273 0.924522 0.054159 H\n0.405274 0.743503 0.356168 H\n0.311351 0.811351 0.167950 H\n0.249727 0.575478 0.445841 H\n0.305516 0.194484 0.970962 H\n0.243503 0.905274 0.356168 H\n0.194484 0.305516 0.529038 H\n0.750273 0.575478 0.945841 H\n0.305516 0.805516 0.470962 H\n0.694484 0.805516 0.970962 H\n0.094726 0.243503 0.643832 H\n0.811351 0.688649 0.832050 H\n0.311351 0.188649 0.667950 H\n0.688649 0.811351 0.667950 H\n0.749727 0.075478 0.054159 H\n0.756497 0.094726 0.356168 H\n0.694484 0.194484 0.470962 H\n0.594726 0.256497 0.356168 H\n0.075478 0.250273 0.945841 H\n0.250273 0.075478 0.554159 H\n0.249727 0.424522 0.945841 H\n0.924522 0.749727 0.945841 H\n0.256497 0.405274 0.643832 H\n0.924522 0.250273 0.445841 H\n0.743503 0.594726 0.643832 H\n0.405274 0.256497 0.856168 H\n0.188649 0.688649 0.332050 H\n0.749727 0.924522 0.554159 H\n0.805516 0.694484 0.529038 H\n0.424522 0.249727 0.554159 H\n0.575478 0.750273 0.554159 H\n0.778827 0.278827 0.437232 C\n0.221173 0.721173 0.437232 C\n0.721173 0.778827 0.562768 C\n0.278827 0.778827 0.062768 C\n0.778827 0.721173 0.937232 C\n0.721173 0.221173 0.062768 C\n0.221173 0.278827 0.937232 C\n0.278827 0.221173 0.562768 C\n0.733386 0.766614 0.865646 N\n0.766614 0.266614 0.134354 N\n0.233386 0.266614 0.634354 N\n0.733386 0.233386 0.365646 N\n0.266614 0.233386 0.865646 N\n0.266614 0.766614 0.365646 N\n0.766614 0.733386 0.634354 N\n0.233386 0.733386 0.134354 N\n0.786068 0.713932 0.124879 Cl\n0.713932 0.213932 0.875121 Cl\n0.500000 0.000000 0.727340 Cl\n0.500000 0.000000 0.227340 Cl\n0.213932 0.286068 0.124879 Cl\n0.213932 0.713932 0.624879 Cl\n0.000000 0.500000 0.772660 Cl\n0.786068 0.286068 0.624879 Cl\n0.286068 0.213932 0.375121 Cl\n0.286068 0.786068 0.875121 Cl\n0.000000 0.000000 0.250000 Cl\n0.500000 0.500000 0.250000 Cl\n0.000000 0.500000 0.272660 Cl\n0.000000 0.000000 0.750000 Cl\n0.713932 0.786068 0.375121 Cl\n0.500000 0.500000 0.750000 Cl\n",
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],
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"formula_full": "Mn4 H48 C8 N8 Cl16",
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{
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"created_at": "2022-09-04T14:47:14.132986Z",
"structure_string": "Ca1 Mg2\n1.0\n-1.945551 1.945551 5.627645\n1.945551 -1.945551 5.627645\n1.945551 1.945551 -5.627645\nCa Mg\n1 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.816972 0.816972 0.000000 Mg\n0.183028 0.183028 0.000000 Mg\n",
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{
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n5.049294 0.000000 0.000000\n0.000000 8.447254 0.000000\n0.000000 0.000000 11.434880\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.101212 0.707622 0.619815 Li\n0.601212 0.207622 0.880185 Li\n0.601212 0.292378 0.380185 Li\n0.101212 0.792378 0.119815 Li\n0.729958 0.644801 0.352516 Al\n0.229958 0.144801 0.147484 Al\n0.729958 0.855199 0.852516 Al\n0.229958 0.355199 0.647484 Al\n0.199188 0.468838 0.271146 Si\n0.699188 0.968838 0.228854 Si\n0.699188 0.531162 0.728854 Si\n0.199188 0.031162 0.771146 Si\n0.004243 0.981372 0.598941 H\n0.504243 0.481372 0.901059 H\n0.504243 0.018628 0.401059 H\n0.306995 0.154635 0.523807 H\n0.806995 0.845365 0.476193 H\n0.806995 0.654635 0.976193 H\n0.004243 0.518628 0.098941 H\n0.306995 0.345365 0.023807 H\n0.401604 0.534184 0.673296 O\n0.901604 0.034184 0.826704 O\n0.330562 0.231753 0.013083 O\n0.172210 0.949924 0.633719 O\n0.899914 0.081534 0.157480 O\n0.899914 0.418466 0.657480 O\n0.813411 0.709899 0.745742 O\n0.813411 0.790101 0.245742 O\n0.399914 0.581534 0.342520 O\n0.399914 0.918466 0.842520 O\n0.830562 0.768247 0.986917 O\n0.330562 0.268247 0.513083 O\n0.830562 0.731753 0.486917 O\n0.313411 0.209899 0.754258 O\n0.901604 0.465816 0.326704 O\n0.172210 0.550076 0.133719 O\n0.672210 0.050076 0.366281 O\n0.313411 0.290101 0.254258 O\n0.401604 0.965816 0.173296 O\n0.672210 0.449924 0.866281 O\n",
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{
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{
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{
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}