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{
"id": "jvasp-89516",
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"structure_string": "Yb10 Al4 Sb12\n1.0\n4.423919 0.000000 0.000000\n0.000000 7.335839 -0.000000\n0.000000 -0.000000 22.916654\nYb Al Sb\n10 4 12\ndirect\n0.000000 0.449888 0.910774 Yb\n0.000000 0.266846 0.746958 Yb\n0.000000 0.766846 0.753041 Yb\n0.000000 0.550112 0.089226 Yb\n0.000000 0.949888 0.589226 Yb\n0.000000 0.000000 0.000000 Yb\n0.000000 0.733154 0.253042 Yb\n0.000000 0.050112 0.410774 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.233154 0.246958 Yb\n0.500000 0.315591 0.621405 Al\n0.500000 0.684409 0.378595 Al\n0.500000 0.815591 0.878595 Al\n0.500000 0.184409 0.121405 Al\n0.500000 0.299815 0.004372 Sb\n0.500000 0.799815 0.495628 Sb\n0.000000 0.471337 0.363780 Sb\n0.000000 0.971337 0.136220 Sb\n0.500000 0.511166 0.811865 Sb\n0.500000 0.488834 0.188135 Sb\n0.000000 0.028663 0.863780 Sb\n0.000000 0.528663 0.636220 Sb\n0.500000 0.988834 0.311865 Sb\n0.500000 0.200185 0.504372 Sb\n0.500000 0.011166 0.688135 Sb\n0.500000 0.700185 0.995628 Sb\n",
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{
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{
"id": "jvasp-55961",
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"structure_string": "As16 S12\n1.0\n7.995687 -0.000000 0.000000\n-0.000000 9.054419 0.000000\n0.000000 0.000000 10.274813\nAs S\n16 12\ndirect\n0.090602 0.141745 0.277172 As\n0.750000 0.659391 0.440331 As\n0.250000 0.340609 0.559669 As\n0.250000 0.840609 0.940331 As\n0.750000 0.031719 0.574306 As\n0.250000 0.968281 0.425693 As\n0.750000 0.531719 0.925693 As\n0.250000 0.468281 0.074307 As\n0.750000 0.159391 0.059669 As\n0.409398 0.141745 0.277172 As\n0.590603 0.358255 0.777172 As\n0.090602 0.641745 0.222828 As\n0.909398 0.358255 0.777172 As\n0.409398 0.641745 0.222828 As\n0.590603 0.858255 0.722828 As\n0.909398 0.858255 0.722828 As\n0.535602 0.167814 0.912215 S\n0.035602 0.832186 0.087785 S\n0.035602 0.332186 0.412215 S\n0.535602 0.667814 0.587785 S\n0.464398 0.832186 0.087785 S\n0.250000 0.095250 0.613942 S\n0.750000 0.904750 0.386057 S\n0.750000 0.404750 0.113943 S\n0.250000 0.595250 0.886057 S\n0.464398 0.332186 0.412215 S\n0.964399 0.167814 0.912215 S\n0.964399 0.667814 0.587785 S\n",
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{
"id": "jvasp-112714",
"created_at": "2022-09-04T14:38:42.524901Z",
"updated_at": "2022-09-04T14:38:42.524933Z",
"structure_string": "Tb8 Mg4 Se16\n1.0\n4.019654 -0.000000 0.000000\n0.000000 13.181713 0.000000\n-0.000000 -0.000000 14.042948\nTb Mg Se\n8 4 16\ndirect\n0.250000 0.116275 0.075268 Tb\n0.749999 0.883725 0.924732 Tb\n0.749999 0.383725 0.575268 Tb\n0.250000 0.616275 0.424732 Tb\n0.250000 0.140755 0.703068 Tb\n0.749999 0.859245 0.296932 Tb\n0.749999 0.359245 0.203068 Tb\n0.250000 0.640754 0.796932 Tb\n0.749999 0.610791 0.044801 Mg\n0.250000 0.389208 0.955200 Mg\n0.250000 0.889208 0.544801 Mg\n0.749999 0.110792 0.455199 Mg\n0.250000 0.739309 0.987132 Se\n0.749999 0.260691 0.012868 Se\n0.250000 0.722585 0.249168 Se\n0.749999 0.277415 0.750832 Se\n0.749999 0.777415 0.749168 Se\n0.250000 0.222585 0.250832 Se\n0.250000 0.529915 0.618364 Se\n0.250000 0.993018 0.382412 Se\n0.749999 0.970085 0.118364 Se\n0.250000 0.029915 0.881636 Se\n0.749999 0.506982 0.882413 Se\n0.250000 0.493018 0.117588 Se\n0.250000 0.239309 0.512868 Se\n0.749999 0.006982 0.617588 Se\n0.749999 0.470085 0.381636 Se\n0.749999 0.760691 0.487132 Se\n",
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{
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"created_at": "2022-09-04T14:36:17.014748Z",
"updated_at": "2022-09-04T14:36:17.014774Z",
"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.524203 0.000000 -0.316337\n0.000000 6.757537 0.000000\n-0.149012 0.000000 16.894253\nRb Si Bi S\n4 4 4 16\ndirect\n0.248187 0.244745 0.965477 Rb\n0.748186 0.255255 0.465477 Rb\n0.251814 0.744746 0.534522 Rb\n0.751813 0.755255 0.034522 Rb\n0.955085 0.268777 0.158661 Si\n0.455085 0.231223 0.658661 Si\n0.544914 0.768778 0.341339 Si\n0.044915 0.731223 0.841339 Si\n0.961870 0.286633 0.722777 Bi\n0.038129 0.713367 0.277222 Bi\n0.461870 0.213367 0.222778 Bi\n0.538129 0.786633 0.777222 Bi\n0.865734 0.992639 0.856110 S\n0.840836 0.494854 0.864762 S\n0.340837 0.005146 0.364762 S\n0.159163 0.505146 0.135238 S\n0.180592 0.240754 0.584582 S\n0.819408 0.759247 0.415418 S\n0.623748 0.813220 0.220146 S\n0.376251 0.186781 0.779853 S\n0.680592 0.259246 0.084582 S\n0.876251 0.313220 0.279853 S\n0.134265 0.007361 0.143889 S\n0.634265 0.492639 0.643889 S\n0.659163 0.994855 0.635237 S\n0.365734 0.507361 0.356111 S\n0.319408 0.740754 0.915418 S\n0.123749 0.686781 0.720146 S\n",
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"structure_string": "K8 P8 H12 O30\n1.0\n7.660316 3.442893 -4.642139\n-7.660316 3.442893 4.642139\n-0.092702 0.000000 14.179173\nK P H O\n8 8 12 30\ndirect\n0.817771 0.366296 0.873577 K\n0.366297 0.817771 0.626423 K\n0.182228 0.633703 0.126423 K\n0.633703 0.182228 0.373577 K\n0.193727 0.232728 0.099858 K\n0.232728 0.193727 0.400142 K\n0.806272 0.767271 0.900142 K\n0.767272 0.806272 0.599858 K\n0.606266 0.271605 0.092762 P\n0.271606 0.606266 0.407238 P\n0.393733 0.728394 0.907238 P\n0.728394 0.393733 0.592762 P\n0.044236 0.764058 0.281934 P\n0.235941 0.955763 0.781934 P\n0.955763 0.235941 0.718065 P\n0.764058 0.044236 0.218065 P\n0.376274 0.090115 0.962369 H\n0.528109 0.629442 0.212528 H\n0.629442 0.528109 0.287472 H\n0.471890 0.370557 0.787472 H\n0.370557 0.471890 0.712527 H\n0.090115 0.376273 0.537631 H\n0.909884 0.623726 0.462369 H\n0.608443 0.782022 0.354976 H\n0.782022 0.608442 0.145024 H\n0.391557 0.217977 0.645024 H\n0.217977 0.391557 0.854976 H\n0.623726 0.909884 0.037631 H\n0.672395 0.144877 0.206495 O\n0.626381 0.412278 0.635244 O\n0.412279 0.626380 0.864756 O\n0.373619 0.587721 0.364756 O\n0.587721 0.373618 0.135244 O\n0.583687 0.234539 0.521905 O\n0.765460 0.416312 0.021905 O\n0.416312 0.765460 0.478095 O\n0.915037 0.625037 0.536619 O\n0.625037 0.915037 0.963381 O\n0.084962 0.374962 0.463381 O\n0.374963 0.084962 0.036619 O\n0.234539 0.583687 0.978095 O\n0.144877 0.672395 0.293505 O\n0.079157 0.238082 0.844200 O\n0.855122 0.327604 0.706495 O\n0.986848 0.217461 0.200662 O\n0.217461 0.986848 0.299338 O\n0.013151 0.782538 0.799338 O\n0.782539 0.013151 0.700662 O\n0.598912 0.885319 0.143177 O\n0.885319 0.598912 0.356823 O\n0.401087 0.114680 0.856823 O\n0.114681 0.401087 0.643177 O\n0.761917 0.920842 0.344200 O\n0.920842 0.761917 0.155800 O\n0.238083 0.079157 0.655800 O\n0.509705 0.509704 0.750000 O\n0.327604 0.855122 0.793505 O\n0.490295 0.490294 0.250000 O\n",
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{
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"structure_string": "P2 W8 Cl22\n1.0\n6.561811 4.973146 0.074942\n-6.561811 4.973146 -0.074942\n-0.142120 0.000000 11.413883\nP W Cl\n2 8 22\ndirect\n0.332530 0.667471 0.250071 P\n0.667470 0.332530 0.749929 P\n0.645837 0.092248 0.873269 W\n0.907753 0.354165 0.873269 W\n0.354165 0.907754 0.126729 W\n0.092248 0.645837 0.126729 W\n0.645829 0.092256 0.626820 W\n0.907743 0.354171 0.626820 W\n0.354171 0.907743 0.373181 W\n0.092257 0.645827 0.373181 W\n0.188926 0.470767 0.513934 Cl\n0.015595 0.612165 0.749950 Cl\n0.612164 0.015596 0.250049 Cl\n0.511542 0.488459 0.749813 Cl\n0.488458 0.511543 0.250186 Cl\n0.917332 0.770417 0.249782 Cl\n0.770418 0.917332 0.750217 Cl\n0.082669 0.229582 0.750217 Cl\n0.229582 0.082668 0.249782 Cl\n0.470768 0.188925 0.486066 Cl\n0.188947 0.470769 0.986312 Cl\n0.529234 0.811075 0.513934 Cl\n0.875724 0.124276 0.489409 Cl\n0.124276 0.875724 0.510591 Cl\n0.387836 0.984406 0.749950 Cl\n0.470769 0.188948 0.013686 Cl\n0.811054 0.529232 0.013686 Cl\n0.529233 0.811054 0.986312 Cl\n0.875718 0.124282 0.010934 Cl\n0.124282 0.875718 0.989064 Cl\n0.811076 0.529233 0.486066 Cl\n0.984405 0.387837 0.250049 Cl\n",
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"structure_string": "As4 Pb8 S12 I2 Cl2\n1.0\n6.723105 0.000000 0.000000\n0.000000 9.505021 0.000000\n0.000000 0.000000 11.668810\nAs Pb S I Cl\n4 8 12 2 2\ndirect\n0.500000 0.951416 0.172848 As\n0.000000 0.451416 0.827152 As\n0.500000 0.521620 0.671820 As\n0.000000 0.021620 0.328180 As\n0.500000 0.177987 0.874240 Pb\n0.000000 0.272787 0.570737 Pb\n0.500000 0.717167 0.915363 Pb\n0.000000 0.791781 0.624607 Pb\n0.500000 0.772787 0.429263 Pb\n0.000000 0.677987 0.125760 Pb\n0.500000 0.291782 0.375393 Pb\n0.000000 0.217168 0.084637 Pb\n0.248759 0.905830 0.046284 S\n0.000000 0.784669 0.349659 S\n0.751142 0.070396 0.455991 S\n0.500000 0.284669 0.650341 S\n0.500000 0.189353 0.151361 S\n0.251241 0.405830 0.953716 S\n0.248859 0.070396 0.455991 S\n0.000000 0.689353 0.848639 S\n0.748859 0.570396 0.544009 S\n0.251141 0.570396 0.544009 S\n0.748759 0.405830 0.953716 S\n0.751242 0.905830 0.046284 S\n0.000000 0.083049 0.794799 I\n0.500000 0.583049 0.205201 I\n0.500000 0.876027 0.709066 Cl\n0.000000 0.376027 0.290934 Cl\n",
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"structure_string": "Sr4 Lu8 Se16\n1.0\n4.066101 -0.000000 0.000000\n0.000000 12.470250 0.000000\n-0.000000 -0.000000 14.723941\nSr Lu Se\n4 8 16\ndirect\n0.250000 0.760692 0.333097 Sr\n0.250000 0.260692 0.166903 Sr\n0.750000 0.239308 0.666903 Sr\n0.750000 0.739308 0.833097 Sr\n0.750000 0.083243 0.402750 Lu\n0.750000 0.583243 0.097250 Lu\n0.250000 0.416757 0.902750 Lu\n0.250000 0.916757 0.597250 Lu\n0.750000 0.559949 0.610690 Lu\n0.250000 0.940051 0.110690 Lu\n0.250000 0.440051 0.389310 Lu\n0.750000 0.059949 0.889310 Lu\n0.250000 0.028336 0.284465 Se\n0.250000 0.908556 0.923891 Se\n0.250000 0.408556 0.576109 Se\n0.750000 0.471664 0.784465 Se\n0.750000 0.971664 0.715535 Se\n0.250000 0.528336 0.215535 Se\n0.750000 0.372232 0.030344 Se\n0.250000 0.704324 0.666976 Se\n0.250000 0.627768 0.969656 Se\n0.250000 0.127768 0.530344 Se\n0.750000 0.295676 0.333024 Se\n0.750000 0.795676 0.166976 Se\n0.750000 0.591444 0.423891 Se\n0.250000 0.204324 0.833024 Se\n0.750000 0.872232 0.469656 Se\n0.750000 0.091444 0.076109 Se\n",
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{
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{
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{
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"updated_at": "2022-09-04T14:38:01.588806Z",
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}