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{
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{
"id": "jvasp-104112",
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"structure_string": "Li4 Nb4 Cr4 O16\n1.0\n6.133253 0.000079 0.000156\n-0.000072 6.133254 0.000076\n-0.000089 -0.000371 8.278648\nLi Nb Cr O\n4 4 4 16\ndirect\n0.760800 -0.000000 -0.000002 Li\n0.239196 -0.000001 0.500000 Li\n0.000000 0.239198 0.250002 Li\n0.000002 0.760803 0.750002 Li\n0.754892 0.245103 0.625000 Nb\n0.245112 0.245115 0.875001 Nb\n0.754892 0.754893 0.375000 Nb\n0.245106 0.754890 0.125001 Nb\n0.499999 0.751215 0.750000 Cr\n0.248784 0.500002 0.500000 Cr\n0.751215 0.499998 0.000001 Cr\n0.500002 0.248785 0.250001 Cr\n0.018304 0.739743 0.495073 O\n-0.018308 0.739740 0.004929 O\n0.512848 0.735087 0.994727 O\n0.487147 0.735087 0.505272 O\n0.264913 0.512849 0.744729 O\n0.735088 0.512849 0.755274 O\n0.264912 0.487157 0.255271 O\n0.260260 0.018311 0.245072 O\n0.487155 0.264910 0.494731 O\n0.512851 0.264914 0.005273 O\n0.018309 0.260260 0.504927 O\n-0.018306 0.260254 -0.004927 O\n0.739741 -0.018307 0.745073 O\n0.739743 0.018303 0.254927 O\n0.735085 0.487145 0.244728 O\n0.260255 -0.018306 0.754927 O\n",
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"spacegroup": 95
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{
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"created_at": "2022-09-04T14:36:54.415925Z",
"updated_at": "2022-09-04T14:36:54.415945Z",
"structure_string": "K1 Cu1 I1 O6\n1.0\n5.131521 -0.000000 0.000000\n-2.565760 4.444028 0.000000\n-0.000000 -0.000000 5.877180\nK Cu I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 I\n0.386267 0.007875 0.685776 O\n0.992125 0.378391 0.685776 O\n0.621609 0.613733 0.685776 O\n0.992125 0.613733 0.314224 O\n0.621609 0.007875 0.314224 O\n0.386267 0.378391 0.314224 O\n",
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{
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"created_at": "2022-09-04T14:36:58.066733Z",
"updated_at": "2022-09-04T14:36:58.066759Z",
"structure_string": "H14 C12 S2 N2\n1.0\n3.797581 0.055108 -0.599305\n-1.309218 7.979330 -3.002633\n0.083415 0.236938 9.585003\nH C S N\n14 12 2 2\ndirect\n0.831017 0.178917 0.083984 H\n0.437250 0.983894 0.704749 H\n0.937249 0.483894 0.204749 H\n0.792279 0.819658 0.481973 H\n0.292280 0.319658 0.981973 H\n0.410452 0.190228 0.133487 H\n0.672960 0.414478 0.498864 H\n0.910451 0.690228 0.633488 H\n0.851553 0.239870 0.672428 H\n0.351552 0.739870 0.172429 H\n0.217818 0.833861 0.438376 H\n0.717819 0.333861 0.938375 H\n0.331015 0.678917 0.583983 H\n0.172958 0.914478 -0.001136 H\n0.984020 0.055933 0.478810 C\n0.047310 0.903057 0.514725 C\n0.547310 0.403056 0.014726 C\n0.188642 0.750752 0.671739 C\n0.688643 0.250752 0.171739 C\n0.484019 0.555933 0.978810 C\n0.283398 0.799017 0.961495 C\n0.325014 0.724738 0.815663 C\n0.873712 0.202715 0.554561 C\n0.373710 0.702714 0.054560 C\n0.783398 0.299018 0.461495 C\n0.825015 0.224738 0.315663 C\n0.483276 0.538233 0.794287 S\n0.983276 0.038234 0.294287 S\n0.683845 0.421022 0.171515 N\n0.183845 0.921022 0.671515 N\n",
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{
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"created_at": "2022-09-04T14:36:49.022647Z",
"updated_at": "2022-09-04T14:36:49.022670Z",
"structure_string": "Ga2 Cu1 Ag1 Se4\n1.0\n5.308217 0.014424 -4.552923\n-1.112758 5.190294 -4.552923\n-0.011627 -0.014424 6.993293\nGa Cu Ag Se\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.500000 0.499999 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.249999 0.750000 0.500000 Ag\n0.645941 0.620666 0.503632 Se\n0.117034 0.142309 0.496368 Se\n0.857690 0.354058 0.974723 Se\n0.379333 0.882965 0.025276 Se\n",
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{
"id": "jvasp-107876",
"created_at": "2022-09-04T14:36:53.158041Z",
"updated_at": "2022-09-04T14:36:53.158075Z",
"structure_string": "Ba1 Ni1 I1 O6\n1.0\n5.164955 -0.000000 0.000000\n-2.582478 4.472983 0.000000\n-0.000000 -0.000000 5.804889\nBa Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.500000 Ni\n0.666667 0.333333 0.500000 I\n0.387694 0.006355 0.688772 O\n0.993646 0.381338 0.688772 O\n0.618661 0.612306 0.688772 O\n0.993646 0.612306 0.311228 O\n0.618662 0.006355 0.311228 O\n0.387694 0.381338 0.311228 O\n",
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],
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{
"id": "jvasp-103909",
"created_at": "2022-09-04T14:36:59.404452Z",
"updated_at": "2022-09-04T14:36:59.404462Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.843174 0.252421 0.097928\n1.229012 4.364785 0.373578\n-0.705440 0.145444 8.480967\nZn H C O\n1 6 5 4\ndirect\n0.833778 0.840366 0.757269 Zn\n-0.099136 0.486251 0.375732 H\n0.357707 0.464774 0.431433 H\n0.154544 0.019022 0.216905 H\n0.006786 0.582719 0.093543 H\n0.608438 0.004910 0.273419 H\n0.465973 0.548147 0.138935 H\n0.214819 0.100660 0.541174 C\n0.186877 0.324030 0.396777 C\n0.321350 0.163609 0.248865 C\n0.287268 0.409884 0.111326 C\n0.394151 0.291805 0.953713 C\n-0.044982 0.174673 0.631933 O\n0.500497 0.850966 0.568060 O\n0.617525 0.010525 0.952799 O\n0.279147 0.476179 0.827048 O\n",
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{
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"created_at": "2022-09-04T14:36:59.406905Z",
"updated_at": "2022-09-04T14:36:59.406931Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.076932 -0.062235 -0.245048\n-1.131116 4.152269 -0.270901\n-0.220572 -0.026474 15.629449\nCd H C O\n1 18 11 4\ndirect\n0.673604 0.245222 0.146969 Cd\n0.694081 0.901790 0.544742 H\n0.557574 0.042704 0.407184 H\n0.632517 0.862870 0.889798 H\n0.776797 0.832086 0.694337 H\n0.377126 0.780034 0.735292 H\n0.099974 0.699567 0.588233 H\n0.046041 0.334975 0.525236 H\n0.636704 0.540039 0.479941 H\n0.047435 0.937752 0.855712 H\n0.157808 0.491767 0.936269 H\n0.726583 0.375465 0.962123 H\n0.878862 0.380095 0.776225 H\n0.469510 0.307247 0.812691 H\n0.569362 0.264845 0.620796 H\n0.179687 0.213454 0.666598 H\n0.191499 0.364260 0.362569 H\n0.909343 0.593874 0.339660 H\n0.166918 0.975684 0.453123 H\n0.040242 0.816483 0.029635 C\n0.938173 0.581749 0.949865 C\n0.828106 0.744670 0.871999 C\n0.684617 0.500378 0.794044 C\n0.560250 0.648808 0.715845 C\n0.351203 0.853962 0.430071 C\n0.238638 0.531987 0.564062 C\n0.500193 0.707177 0.505575 C\n0.182792 0.611804 0.352237 C\n0.338606 0.691889 0.267685 C\n0.387930 0.395337 0.641456 C\n0.301982 0.057589 0.028706 O\n0.242601 0.473049 0.203546 O\n0.558254 0.960631 0.264265 O\n0.854486 0.772336 0.093284 O\n",
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{
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"structure_string": "Ba2 Tb1 Nb1 O6\n1.0\n5.217041 -0.000000 -3.008161\n-1.734514 4.920261 -3.008161\n0.012745 0.018007 6.050131\nTb Ba Nb O\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.250000 0.500001 Ba\n0.250001 0.750000 0.500001 Ba\n0.500000 0.500000 0.000000 Nb\n0.768909 0.703075 0.000000 O\n0.296925 0.768908 0.000000 O\n0.703075 0.231091 0.000000 O\n0.231092 0.296925 0.000000 O\n0.263574 0.263573 0.527148 O\n0.736428 0.736427 0.472854 O\n",
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{
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"created_at": "2022-09-04T14:36:53.135778Z",
"updated_at": "2022-09-04T14:36:53.135804Z",
"structure_string": "Na2 Zn3 Ge1 As4\n1.0\n7.777750 -0.016633 3.551593\n6.681277 3.981735 3.551593\n0.015502 0.004251 7.130840\nNa Zn Ge As\n2 3 1 4\ndirect\n0.511249 0.511248 0.482297 Na\n0.001182 0.001182 0.000206 Na\n0.800907 0.800906 0.522776 Zn\n0.663228 0.663227 0.993386 Zn\n0.181776 0.181776 0.506801 Zn\n0.317782 0.317782 0.016764 Ge\n0.624788 0.624787 0.704784 As\n0.149948 0.149948 0.191652 As\n0.369956 0.369955 0.300847 As\n0.873302 0.873301 0.780483 As\n",
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],
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{
"id": "jvasp-107102",
"created_at": "2022-09-04T14:36:59.414298Z",
"updated_at": "2022-09-04T14:36:59.414308Z",
"structure_string": "K2 Na1 As1 Br6\n1.0\n6.688941 -0.000000 3.861862\n2.229647 6.306394 3.861862\n-0.000000 -0.000000 7.723724\nK Na As Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.757363 0.242637 0.242636 Br\n0.242637 0.242637 0.757363 Br\n0.242637 0.757363 0.757363 Br\n0.242637 0.757363 0.242636 Br\n0.757363 0.242637 0.757363 Br\n0.757364 0.757363 0.242636 Br\n",
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{
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"created_at": "2022-09-04T14:36:58.893613Z",
"updated_at": "2022-09-04T14:36:58.893641Z",
"structure_string": "Li2 Cr2 P2 O8\n1.0\n2.768720 4.040787 0.000000\n-2.768720 4.040787 0.000000\n0.000000 -0.000000 6.408696\nLi Cr P O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.207950 0.207950 0.250000 Cr\n0.792051 0.792051 0.750000 Cr\n0.144603 0.144603 0.750000 P\n0.855397 0.855397 0.250000 P\n0.196866 0.740894 0.250000 O\n0.259107 0.803134 0.750000 O\n0.743704 0.743704 0.054623 O\n0.256297 0.256297 0.554624 O\n0.256297 0.256297 0.945377 O\n0.743704 0.743704 0.445377 O\n0.740894 0.196866 0.250000 O\n0.803134 0.259107 0.750000 O\n",
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]
}