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{
"id": "jvasp-45909",
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"structure_string": "Li2 Ti4 V1 O8\n1.0\n2.883261 -5.070117 -0.000000\n2.992026 5.056379 0.045812\n2.918183 -1.695377 4.837674\nLi Ti V O\n2 4 1 8\ndirect\n0.000000 -0.000000 0.500000 Li\n0.500000 -0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 -0.000000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000001 0.500000 0.499999 Ti\n0.500000 -0.000000 0.000000 V\n0.994897 0.247088 0.751759 O\n0.514730 0.254951 0.225491 O\n0.992574 0.242344 0.257196 O\n0.500434 0.247088 0.751759 O\n0.499568 0.752912 0.248240 O\n0.007427 0.757655 0.742802 O\n0.485271 0.745049 0.774508 O\n0.005105 0.752912 0.248240 O\n",
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"structure_string": "Li3 Ti2 V2 O8\n1.0\n5.909084 0.000214 0.001220\n-2.954375 -5.098756 0.023043\n-2.953572 1.686607 -4.769126\nLi Ti V O\n3 2 2 8\ndirect\n0.500000 0.500001 0.500001 Li\n0.000000 0.500000 0.500001 Li\n0.500000 0.500001 0.000000 Li\n0.500000 0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 V\n-0.000000 0.500000 0.000000 V\n0.478637 0.752960 0.237077 O\n0.984891 0.243657 0.226127 O\n0.011391 0.752955 0.237074 O\n0.511191 0.763635 0.758751 O\n0.488809 0.236366 0.241250 O\n0.988609 0.247046 0.762927 O\n0.015109 0.756344 0.773874 O\n0.521363 0.247042 0.762925 O\n",
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{
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"structure_string": "Na1 Zr2 Fe1 F11\n1.0\n5.340992 0.014318 2.029022\n1.010698 5.244510 2.029022\n0.002353 0.001948 7.849986\nNa Zr Fe F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.505337 0.505338 0.764981 Zr\n0.494663 0.494663 0.235019 Zr\n-0.000000 0.000000 0.500000 Fe\n0.812242 0.223265 0.689107 F\n0.776736 0.187758 0.310893 F\n0.187758 0.776736 0.310893 F\n0.223264 0.812243 0.689107 F\n0.500000 0.500000 0.500000 F\n0.328601 0.671399 -0.000000 F\n0.671399 0.328601 -0.000000 F\n0.247094 0.247095 0.348628 F\n0.752905 0.752906 0.651372 F\n0.266243 0.266244 0.891918 F\n0.733756 0.733756 0.108081 F\n",
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{
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"created_at": "2022-09-04T14:38:16.573740Z",
"updated_at": "2022-09-04T14:38:16.573752Z",
"structure_string": "Yb1 Mo6 S8\n1.0\n6.517037 0.007037 0.078318\n0.077468 6.516581 0.078318\n0.007114 0.007037 6.517503\nYb Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Yb\n0.224846 0.418866 0.560252 Mo\n0.581134 0.439749 0.775154 Mo\n0.439748 0.775155 0.581135 Mo\n0.560252 0.224846 0.418865 Mo\n0.418866 0.560252 0.224846 Mo\n0.775154 0.581135 0.439748 Mo\n0.761096 0.761096 0.761096 S\n0.873819 0.250620 0.625206 S\n0.250619 0.625206 0.873819 S\n0.625206 0.873819 0.250619 S\n0.126181 0.749381 0.374794 S\n0.749381 0.374795 0.126181 S\n0.238904 0.238905 0.238904 S\n0.374794 0.126181 0.749381 S\n",
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{
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"structure_string": "Li3 Si1 Ni3 O8\n1.0\n0.000000 5.041935 -0.020995\n5.557870 0.000000 0.000000\n0.000000 -1.879139 -4.730441\nLi Si Ni O\n3 1 3 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.499999 0.756285 -0.000000 Li\n0.499999 0.243715 -0.000000 Li\n0.499999 0.000000 0.499999 Si\n-0.000000 0.753800 0.500000 Ni\n-0.000000 0.246200 0.500000 Ni\n0.499999 0.500000 0.499999 Ni\n0.728647 0.000000 0.297749 O\n0.763357 0.500000 0.280178 O\n0.716639 0.759883 0.716160 O\n0.283359 0.759883 0.283839 O\n0.716639 0.240117 0.716160 O\n0.271352 0.000000 0.702250 O\n0.236642 0.500000 0.719821 O\n0.283359 0.240117 0.283839 O\n",
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{
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"created_at": "2022-09-04T14:38:10.749918Z",
"updated_at": "2022-09-04T14:38:10.749939Z",
"structure_string": "Li3 Co4 S8\n1.0\n-0.000000 -0.000000 -6.735094\n1.954695 6.202296 -3.367547\n5.833104 0.005952 -3.367547\nLi Co S\n3 4 8\ndirect\n0.356474 0.426537 0.359227 Li\n0.857761 0.426537 0.359227 Li\n0.356520 0.426527 0.860435 Li\n0.998734 0.999122 0.003411 Co\n0.996716 0.990449 0.508781 Co\n0.504053 0.990449 0.508781 Co\n0.504047 0.990492 0.001415 Co\n0.267651 0.193227 0.271471 S\n0.769414 0.187594 0.273578 S\n0.730312 0.807757 0.233719 S\n0.228212 0.807757 0.233719 S\n0.269766 0.187583 0.773230 S\n0.769421 0.187583 0.773230 S\n0.228193 0.807762 0.735853 S\n0.730183 0.803875 0.735760 S\n",
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{
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"created_at": "2022-09-04T14:38:09.141470Z",
"updated_at": "2022-09-04T14:38:09.141487Z",
"structure_string": "Li4 Ni3 O2 F6\n1.0\n5.099952 -0.004421 -0.004536\n-0.884988 -5.015197 0.004945\n-1.706288 0.270166 -5.596808\nLi Ni O F\n4 3 2 6\ndirect\n0.981899 0.261946 0.872488 Li\n0.018100 0.738053 0.127514 Li\n0.988041 0.239066 0.369444 Li\n0.011958 0.760933 0.630558 Li\n0.500000 -0.000000 0.000000 Ni\n0.501894 0.499189 0.239711 Ni\n0.498105 0.500811 0.760291 Ni\n0.725318 0.361026 0.055964 O\n0.274682 0.638973 0.944038 O\n0.231471 0.130506 0.174910 F\n0.779645 0.867525 0.310648 F\n0.760779 0.399583 0.566247 F\n0.239220 0.600417 0.433755 F\n0.768529 0.869494 0.825092 F\n0.220354 0.132475 0.689354 F\n",
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{
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"created_at": "2022-09-04T14:38:16.033897Z",
"updated_at": "2022-09-04T14:38:16.033917Z",
"structure_string": "Ca1 Au2 F12\n1.0\n6.065712 0.000000 0.000000\n0.000000 6.065712 -0.000000\n0.000000 0.000000 6.636317\nCa Au F\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.239190 Au\n0.000000 0.500000 0.760810 Au\n0.000000 0.500000 0.053213 F\n0.500000 0.000000 0.946787 F\n0.000000 0.500000 0.471644 F\n0.255903 0.207591 0.227174 F\n0.207591 0.744097 0.772826 F\n0.792409 0.255903 0.772826 F\n0.744097 0.792409 0.227174 F\n0.744097 0.207591 0.227174 F\n0.207591 0.255903 0.772826 F\n0.792409 0.744097 0.772826 F\n0.255903 0.792409 0.227174 F\n0.500000 0.000000 0.528357 F\n",
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{
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"structure_string": "Li3 Mn4 O8\n1.0\n-0.000000 4.010872 4.010872\n4.010872 -0.000000 4.010872\n4.142272 4.142272 -0.131400\nLi Mn O\n3 4 8\ndirect\n0.144830 0.144830 0.065508 Li\n-0.000000 -0.000000 0.500000 Li\n0.855169 0.855169 0.934491 Li\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.724597 0.256322 0.262758 O\n0.256322 0.256322 0.262758 O\n0.256322 0.724597 0.262758 O\n0.266726 0.266726 0.699820 O\n0.743677 0.275403 0.737241 O\n0.733273 0.733273 0.300179 O\n0.743677 0.743677 0.737241 O\n0.275403 0.743677 0.737241 O\n",
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{
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"structure_string": "Li8 V1 O5 F1\n1.0\n5.341296 -0.009057 -0.007084\n-2.560167 4.720271 -0.001636\n-2.607549 -1.484815 5.057511\nLi V O F\n8 1 5 1\ndirect\n0.240876 0.478163 0.361560 Li\n0.129850 0.234607 0.655367 Li\n0.406473 0.892750 0.640213 Li\n0.716101 0.343832 0.008369 Li\n0.315882 0.686826 0.969361 Li\n0.586575 0.093056 0.358313 Li\n0.889045 0.783531 0.361644 Li\n0.755356 0.518333 0.653052 Li\n0.967800 0.975430 0.983289 V\n0.513759 0.604157 0.758947 O\n0.853352 0.090760 0.237394 O\n0.152141 0.763168 0.234320 O\n0.838375 0.228848 0.761128 O\n0.133247 0.903389 0.755232 O\n0.501168 0.403149 0.261810 F\n",
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{
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"created_at": "2022-09-04T14:38:10.391863Z",
"updated_at": "2022-09-04T14:38:10.391882Z",
"structure_string": "Li1 V3 Co1 O10\n1.0\n6.572359 0.037419 0.122552\n0.037419 6.572359 -0.122552\n0.086819 -0.086819 4.448165\nLi V Co O\n1 3 1 10\ndirect\n0.502957 0.002957 -0.000000 Li\n0.249673 0.749673 0.500000 V\n0.249903 0.250219 0.622964 V\n0.750219 0.749903 0.377035 V\n0.751313 0.251313 0.499999 Co\n0.032505 0.756649 0.293644 O\n0.271087 0.225842 0.257404 O\n0.256649 0.532505 0.706355 O\n0.259340 0.962446 0.740289 O\n0.462446 0.759340 0.259710 O\n0.525511 0.239282 0.738325 O\n0.739282 0.025511 0.261674 O\n0.744874 0.478402 0.290314 O\n0.725843 0.771087 0.742595 O\n0.978402 0.244874 0.709684 O\n",
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{
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"created_at": "2022-09-04T14:38:09.784670Z",
"updated_at": "2022-09-04T14:38:09.784696Z",
"structure_string": "Ba3 Mn3 O9\n1.0\n5.306586 -0.002821 5.668511\n2.237378 4.811860 5.668511\n-0.004426 -0.002821 7.764783\nBa Mn O\n3 3 9\ndirect\n0.781744 0.781744 0.781743 Ba\n0.218256 0.218256 0.218256 Ba\n0.000000 0.000000 0.000000 Ba\n0.619044 0.619044 0.619043 Mn\n0.380956 0.380956 0.380956 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500001 0.500000 -0.000001 O\n0.294040 0.294041 0.736606 O\n0.294041 0.736606 0.294040 O\n0.736606 0.294041 0.294040 O\n0.705959 0.263394 0.705959 O\n0.705960 0.705960 0.263393 O\n0.263394 0.705960 0.705959 O\n",
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]
}