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{
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{
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{
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"updated_at": "2022-09-04T14:38:50.119959Z",
"structure_string": "Li4 Ti2 Ni2 O8\n1.0\n2.957132 0.000017 0.000006\n-0.000061 9.507629 1.839992\n-0.000011 0.007349 5.098403\nLi Ti Ni O\n4 2 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.000001 0.750001 0.749999 Ti\n0.000000 0.249999 0.250000 Ti\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.127726 0.604361 O\n0.000000 0.627726 0.104365 O\n1.000000 0.872274 0.395639 O\n1.000000 0.372274 0.895635 O\n0.500000 0.863719 0.869537 O\n0.500000 0.363720 0.369536 O\n0.500000 0.136282 0.130463 O\n0.500000 0.636282 0.630464 O\n",
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{
"id": "jvasp-122118",
"created_at": "2022-09-04T14:38:55.220071Z",
"updated_at": "2022-09-04T14:38:55.220108Z",
"structure_string": "K2 Tb2 Mo4 O16\n1.0\n6.508429 -0.006568 3.527189\n-1.619311 6.303770 3.527189\n-0.031206 -0.040193 7.751475\nTb K Mo O\n2 2 4 16\ndirect\n0.770275 0.229725 0.750001 Tb\n0.229725 0.770275 0.250000 Tb\n0.195729 0.804271 0.750001 K\n0.804271 0.195729 0.250000 K\n0.692837 0.699080 0.758028 Mo\n0.307162 0.300920 0.241973 Mo\n0.300920 0.307163 0.741974 Mo\n0.699080 0.692837 0.258027 Mo\n0.198296 0.049861 0.309062 O\n0.801703 0.950139 0.690939 O\n0.365523 0.581545 0.472928 O\n0.634477 0.418456 0.527073 O\n0.418456 0.634477 0.027073 O\n0.581544 0.365523 0.972928 O\n0.073993 0.390318 0.374436 O\n0.774997 0.607680 0.062199 O\n0.609682 0.926007 0.125565 O\n0.390318 0.073993 0.874436 O\n0.049861 0.198297 0.809062 O\n0.225003 0.392320 0.937802 O\n0.392320 0.225003 0.437802 O\n0.607680 0.774997 0.562199 O\n0.926007 0.609682 0.625565 O\n0.950139 0.801703 0.190939 O\n",
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{
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"created_at": "2022-09-04T14:38:50.125888Z",
"updated_at": "2022-09-04T14:38:50.125915Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n2.836684 0.132196 -0.021309\n-0.266295 5.763017 -0.077624\n0.062273 -0.050098 8.082644\nLi Mn Co O\n4 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.500016 0.757153 0.245158 Li\n0.499983 0.242847 0.754841 Li\n-0.000000 -0.000000 0.500000 Li\n0.499977 0.256466 0.250763 Mn\n0.000000 0.500000 0.500000 Mn\n0.500022 0.743535 0.749236 Mn\n0.000000 0.000000 0.000000 Co\n0.500198 0.766909 0.987795 O\n0.000194 0.021338 0.241175 O\n0.000224 0.508795 0.743844 O\n0.500221 0.263510 0.494131 O\n0.499801 0.233092 0.012204 O\n-0.000223 0.491205 0.256156 O\n-0.000193 0.978663 0.758825 O\n0.499778 0.736491 0.505869 O\n",
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{
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"created_at": "2022-09-04T14:38:55.618334Z",
"updated_at": "2022-09-04T14:38:55.618354Z",
"structure_string": "Zr1 Mn6 Ga2 Sn4\n1.0\n5.282042 -0.000000 0.000000\n-2.641021 4.574383 0.000000\n-0.000000 -0.000000 8.967924\nZr Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.748550 Mn\n0.500000 0.000000 0.748550 Mn\n-0.000000 0.500000 0.748550 Mn\n0.500000 0.500000 0.251449 Mn\n0.500000 0.000000 0.251449 Mn\n-0.000000 0.500000 0.251449 Mn\n0.000000 0.000000 0.804377 Ga\n0.000000 0.000000 0.195623 Ga\n0.666666 0.333333 -0.000000 Sn\n0.333333 0.666666 -0.000000 Sn\n0.666666 0.333333 0.500000 Sn\n0.333333 0.666666 0.500000 Sn\n",
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{
"id": "jvasp-117240",
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"structure_string": "Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n",
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{
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"updated_at": "2022-09-04T14:38:50.142002Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n4.888965 -0.106016 0.427162\n0.798979 4.733614 1.428726\n0.075873 0.134440 8.579456\nLi Mn Co O\n7 4 1 12\ndirect\n0.247131 0.413390 0.080559 Li\n0.752647 0.581809 0.904819 Li\n0.244034 0.750164 0.744144 Li\n0.242949 0.088324 0.425469 Li\n0.751794 0.250034 0.253170 Li\n0.760404 0.920184 0.589094 Li\n0.000356 0.333365 0.667314 Li\n-0.000054 0.005353 0.992089 Mn\n0.500274 0.495298 0.506845 Mn\n0.000012 0.665064 0.336905 Mn\n0.499990 0.830848 0.168749 Mn\n0.499958 0.166636 0.831629 Co\n0.128752 0.022316 0.202135 O\n0.630165 0.183449 0.038322 O\n0.132760 0.343949 0.881660 O\n0.137963 0.703291 0.527140 O\n0.626207 0.856035 0.371226 O\n0.607416 0.523479 0.704568 O\n0.369732 0.811700 0.964793 O\n0.868018 0.963490 0.805321 O\n0.392629 0.145573 0.627355 O\n0.373942 0.476561 0.296327 O\n0.870721 0.646402 0.128809 O\n0.862186 0.323266 0.451571 O\n",
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{
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"structure_string": "Li1 V4 O5 F7\n1.0\n5.009992 0.012329 -0.019900\n-0.276342 5.277519 -0.312218\n-0.025035 -0.053118 7.313621\nLi V O F\n1 4 5 7\ndirect\n0.514476 0.075100 0.194416 Li\n0.986494 0.969564 0.495691 V\n0.495631 0.520019 0.016573 V\n0.465415 0.487014 0.497106 V\n0.007173 0.006752 0.987778 V\n0.202606 0.293992 0.546325 O\n0.409193 0.506383 0.253769 O\n0.293314 0.210076 0.962054 O\n0.810697 0.696399 0.455850 O\n0.704277 0.812306 0.050561 O\n0.192950 0.696572 0.929624 F\n0.867873 0.020952 0.744033 F\n0.799988 0.307125 0.068557 F\n0.688362 0.182297 0.425070 F\n0.611499 0.497164 0.749909 F\n0.313510 0.807345 0.565900 F\n0.144982 0.984642 0.249496 F\n",
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"structure_string": "Mn4 Tl4 O4 F16\n1.0\n7.689823 -0.186250 1.399126\n4.484675 6.249460 1.399126\n0.212805 0.105982 8.179185\nMn Tl O F\n4 4 4 16\ndirect\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.250022 0.749978 0.250001 Mn\n0.749979 0.250021 0.750001 Mn\n0.637171 0.137140 0.375669 Tl\n0.862860 0.362829 0.124332 Tl\n0.362830 0.862860 0.624332 Tl\n0.137141 0.637170 0.875670 Tl\n0.499087 -0.001007 0.798443 O\n0.001007 0.500913 0.701558 O\n0.500914 0.001006 0.201558 O\n-0.001006 0.499086 0.298443 O\n0.490855 0.632720 0.343479 F\n0.367281 0.509146 0.156522 F\n0.867243 0.009181 0.656525 F\n-0.009181 0.132756 0.843476 F\n0.132757 -0.009182 0.343476 F\n0.009182 0.867243 0.156525 F\n0.759964 0.740056 0.000045 F\n0.354543 0.854507 0.052908 F\n0.240036 0.259944 -0.000044 F\n0.740057 0.759963 0.500045 F\n0.645458 0.145492 0.947094 F\n0.854508 0.354542 0.552908 F\n0.632721 0.490854 0.843479 F\n0.145493 0.645457 0.447093 F\n0.259944 0.240036 0.499956 F\n0.509146 0.367280 0.656523 F\n",
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{
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"created_at": "2022-09-04T14:38:50.667867Z",
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"structure_string": "Tb1 Mn4 Cu3 O12\n1.0\n5.923928 -0.000000 -2.094425\n-2.961964 5.130272 -2.094425\n-0.000000 -0.000000 6.283275\nTb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.475476 0.177631 0.297845 O\n0.524525 0.822369 0.702155 O\n0.297845 0.120214 0.822369 O\n0.702156 0.879785 0.177632 O\n0.297845 0.475476 0.177631 O\n0.177631 0.297845 0.475476 O\n0.822370 0.297845 0.120215 O\n0.177631 0.702155 0.879786 O\n0.120215 0.822369 0.297846 O\n0.822370 0.702155 0.524525 O\n0.702155 0.524524 0.822370 O\n0.879786 0.177631 0.702155 O\n",
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"structure_string": "K2 Be4 B6 O14\n1.0\n6.562363 -0.001858 2.136503\n0.338606 6.553622 2.136503\n0.029427 0.027938 6.447967\nK Be B O\n2 4 6 14\ndirect\n0.178916 0.821084 0.750000 K\n0.821084 0.178915 0.250000 K\n0.057360 0.635530 0.341277 Be\n0.364471 0.942641 0.158723 Be\n0.942641 0.364470 0.658723 Be\n0.635530 0.057359 0.841277 Be\n0.733743 0.770528 0.182690 B\n0.229472 0.266258 0.317310 B\n0.266258 0.229472 0.817310 B\n0.770529 0.733742 0.682690 B\n0.548603 0.451397 0.750000 B\n0.451397 0.548603 0.250000 B\n0.077099 0.220104 0.807058 O\n0.779897 0.922901 0.692942 O\n0.650123 0.579368 0.234292 O\n0.420632 0.349877 0.265707 O\n0.349878 0.420631 0.765708 O\n0.579369 0.650123 0.734292 O\n0.299145 0.700855 0.250000 O\n0.055926 0.387255 0.380015 O\n0.387256 0.055926 0.880016 O\n0.944075 0.612744 0.619984 O\n0.700855 0.299145 0.750000 O\n0.220104 0.077099 0.307058 O\n0.612745 0.944074 0.119984 O\n0.922901 0.779896 0.192942 O\n",
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}