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{
"id": "jvasp-96092",
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"structure_string": "Zn20 S20\n1.0\n3.840973 0.000000 -0.000000\n-1.920487 3.326381 0.000000\n0.000000 -0.000000 62.803735\nZn S\n20 20\ndirect\n0.333332 0.666667 0.050048 Zn\n0.000000 0.000000 0.750090 Zn\n0.333332 0.666667 0.199974 Zn\n0.333332 0.666667 0.849993 Zn\n0.000000 0.000000 0.149998 Zn\n0.000000 0.000000 0.899950 Zn\n0.333332 0.666667 0.400032 Zn\n0.000000 0.000000 0.449992 Zn\n0.000000 0.000000 0.000090 Zn\n0.666666 0.333333 0.600053 Zn\n0.666666 0.333333 0.249946 Zn\n0.000000 0.000000 0.649982 Zn\n0.666666 0.333333 0.100025 Zn\n0.666666 0.333333 0.950001 Zn\n0.666666 0.333333 0.499947 Zn\n0.666666 0.333333 0.350086 Zn\n0.000000 0.000000 0.300001 Zn\n0.333332 0.666667 0.700018 Zn\n0.666666 0.333333 0.800034 Zn\n0.333332 0.666667 0.549985 Zn\n0.333332 0.666667 0.237443 S\n0.000000 0.000000 0.487453 S\n0.666666 0.333333 0.987547 S\n0.000000 0.000000 0.687436 S\n0.666666 0.333333 0.637497 S\n0.666666 0.333333 0.137492 S\n0.333332 0.666667 0.737556 S\n0.666666 0.333333 0.537403 S\n0.666666 0.333333 0.387536 S\n0.333332 0.666667 0.587523 S\n0.000000 0.000000 0.037544 S\n0.333332 0.666667 0.087517 S\n0.666666 0.333333 0.287409 S\n0.333332 0.666667 0.887455 S\n0.000000 0.000000 0.937410 S\n0.666666 0.333333 0.837495 S\n0.000000 0.000000 0.337546 S\n0.333332 0.666667 0.437494 S\n0.000000 0.000000 0.787538 S\n0.000000 0.000000 0.187466 S\n",
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{
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"structure_string": "Tb4 B12 O24\n1.0\n6.097002 -0.000216 0.000000\n-0.005394 7.802130 0.000000\n0.000000 0.000000 8.324985\nTb B O\n4 12 24\ndirect\n0.491537 0.249954 0.499090 Tb\n0.508463 0.750046 0.500911 Tb\n0.008463 0.750046 0.999090 Tb\n0.991537 0.249953 0.000911 Tb\n0.118987 0.506105 0.315232 B\n0.118772 0.994847 0.684817 B\n0.988983 0.249985 0.499474 B\n0.381228 0.005152 0.184817 B\n0.381014 0.493895 0.815233 B\n0.488983 0.249985 0.000526 B\n0.618987 0.506105 0.184768 B\n0.618772 0.994847 0.815184 B\n0.511017 0.750014 0.999475 B\n0.011017 0.750015 0.500526 B\n0.881013 0.493895 0.684768 B\n0.881228 0.005152 0.315183 B\n0.062894 0.007110 0.839972 O\n0.436660 0.505225 0.659963 O\n0.563340 0.494775 0.340038 O\n0.839597 0.333100 0.614558 O\n0.660403 0.666899 0.114557 O\n0.063340 0.494775 0.159963 O\n0.142379 0.364832 0.416448 O\n0.857621 0.635167 0.583552 O\n0.936660 0.505224 0.840038 O\n0.437107 0.992890 0.339972 O\n0.357798 0.864901 0.082390 O\n0.160172 0.833296 0.616038 O\n0.339597 0.333101 0.885443 O\n0.339829 0.166704 0.116038 O\n0.839828 0.166704 0.383962 O\n0.160404 0.666899 0.385443 O\n0.660172 0.833296 0.883963 O\n0.642379 0.364832 0.083552 O\n0.642202 0.135099 0.917611 O\n0.357622 0.635168 0.916449 O\n0.857798 0.864900 0.417610 O\n0.937107 0.992890 0.160029 O\n0.142202 0.135099 0.582390 O\n0.562894 0.007109 0.660029 O\n",
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{
"id": "jvasp-98494",
"created_at": "2022-09-04T14:35:43.179571Z",
"updated_at": "2022-09-04T14:35:43.179601Z",
"structure_string": "Nd12 S8 Br20\n1.0\n6.865306 0.000000 0.000000\n0.000000 7.239248 0.000000\n0.000000 0.000000 22.575989\nNd S Br\n12 8 20\ndirect\n0.055559 0.953437 0.250000 Nd\n0.444442 0.453437 0.250000 Nd\n0.944442 0.046563 0.750000 Nd\n0.054256 0.379902 0.103063 Nd\n0.554256 0.120098 0.896937 Nd\n0.445744 0.879902 0.396937 Nd\n0.945745 0.620099 0.603063 Nd\n0.945745 0.620099 0.896937 Nd\n0.445744 0.879902 0.103063 Nd\n0.554256 0.120098 0.603063 Nd\n0.054256 0.379902 0.396937 Nd\n0.555559 0.546563 0.750000 Nd\n0.694252 0.833637 0.825769 S\n0.194251 0.666364 0.325769 S\n0.694252 0.833637 0.674231 S\n0.305749 0.166364 0.174231 S\n0.805749 0.333636 0.825769 S\n0.805749 0.333636 0.674231 S\n0.305749 0.166364 0.325769 S\n0.194251 0.666364 0.174231 S\n0.352373 0.482040 0.880810 Br\n0.632830 0.831937 0.250000 Br\n0.132830 0.668063 0.750000 Br\n0.867171 0.331937 0.250000 Br\n0.163723 0.682649 0.480058 Br\n0.352373 0.482040 0.619190 Br\n0.663723 0.817352 0.519942 Br\n0.836278 0.317352 0.980058 Br\n0.836278 0.317352 0.519942 Br\n0.336278 0.182649 0.480058 Br\n0.663723 0.817352 0.980058 Br\n0.163723 0.682649 0.019942 Br\n0.367170 0.168063 0.750000 Br\n0.147628 0.982041 0.619190 Br\n0.647628 0.517960 0.380810 Br\n0.647628 0.517960 0.119190 Br\n0.147628 0.982041 0.880810 Br\n0.852373 0.017960 0.380810 Br\n0.336278 0.182649 0.019942 Br\n0.852373 0.017960 0.119190 Br\n",
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{
"id": "jvasp-97828",
"created_at": "2022-09-04T14:35:42.566331Z",
"updated_at": "2022-09-04T14:35:42.566358Z",
"structure_string": "Nb12 Cl20 O8\n1.0\n6.732077 0.000000 0.000000\n0.000000 8.162628 0.000000\n0.000000 0.000000 14.592478\nNb Cl O\n12 20 8\ndirect\n0.000000 0.027878 0.134063 Nb\n0.711831 0.741903 0.259876 Nb\n0.788169 0.241903 0.240124 Nb\n0.788169 0.758097 0.759876 Nb\n0.288169 0.258097 0.740124 Nb\n0.711831 0.258097 0.740124 Nb\n0.211831 0.758097 0.759876 Nb\n0.211831 0.241903 0.240124 Nb\n0.500000 0.472122 0.634063 Nb\n0.500000 0.527878 0.365937 Nb\n0.288169 0.741903 0.259876 Nb\n0.000000 0.972122 0.865937 Nb\n0.500000 0.206621 0.360251 Cl\n0.000000 0.222987 0.627991 Cl\n0.000000 0.777013 0.372009 Cl\n0.500000 0.722988 0.872009 Cl\n0.500000 0.277013 0.127991 Cl\n0.000000 0.293379 0.860251 Cl\n0.000000 0.706621 0.139749 Cl\n0.500000 0.793379 0.639749 Cl\n0.500000 0.291851 0.874992 Cl\n0.000000 0.791851 0.625008 Cl\n0.500000 0.708149 0.125008 Cl\n0.500000 0.829795 0.390618 Cl\n0.000000 0.670206 0.890618 Cl\n0.000000 0.329795 0.109383 Cl\n0.500000 0.170205 0.609383 Cl\n0.255931 0.500000 0.500000 Cl\n0.755932 0.000000 0.000000 Cl\n0.744069 0.500000 0.500000 Cl\n0.000000 0.208149 0.374992 Cl\n0.244069 0.000000 0.000000 Cl\n0.223539 0.991530 0.226348 O\n0.223539 0.008471 0.773652 O\n0.276461 0.491530 0.273652 O\n0.276461 0.508471 0.726349 O\n0.776462 0.008471 0.773652 O\n0.776462 0.991530 0.226348 O\n0.723539 0.508471 0.726349 O\n0.723539 0.491530 0.273652 O\n",
"nsites": 40,
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],
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"formula_full": "Nb12 Cl20 O8",
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{
"id": "jvasp-98588",
"created_at": "2022-09-04T14:35:41.171165Z",
"updated_at": "2022-09-04T14:35:41.171191Z",
"structure_string": "As12 H4 O24\n1.0\n11.282963 0.000000 -5.510327\n0.000000 5.189806 0.000000\n-0.610911 0.000000 9.390378\nAs H O\n12 4 24\ndirect\n0.910346 0.113392 0.617498 As\n0.069221 0.536029 0.923357 As\n0.069221 0.963973 0.423357 As\n0.910346 0.386608 0.117498 As\n0.416798 0.606117 0.458961 As\n0.571559 0.356250 0.793826 As\n0.571559 0.143751 0.293826 As\n0.416798 -0.106117 -0.041039 As\n0.236749 0.360689 0.738650 As\n0.760127 0.872421 0.792537 As\n0.760127 0.627580 0.292537 As\n0.236749 0.139312 0.238650 As\n0.599133 0.571460 0.461227 H\n0.599133 0.928541 0.961227 H\n0.066759 0.486249 0.384857 H\n0.066759 0.013752 0.884858 H\n0.645719 0.642358 0.705181 O\n0.279848 0.037322 0.789168 O\n0.198139 0.026906 0.382798 O\n0.772817 0.522242 0.123319 O\n0.772817 -0.022242 0.623319 O\n0.198139 0.473094 0.882798 O\n0.474399 0.211181 0.082102 O\n0.516456 0.544097 0.366381 O\n0.516456 0.955904 0.866381 O\n0.474399 0.288819 0.582102 O\n0.344471 0.949779 0.237873 O\n0.034928 0.584040 0.279002 O\n0.708382 0.144195 0.854431 O\n0.344471 0.550222 0.737873 O\n0.103642 0.181376 0.051917 O\n0.892751 0.714996 0.456117 O\n0.892751 0.785006 0.956117 O\n0.103642 0.318624 0.551917 O\n0.645719 0.857643 0.205181 O\n0.937506 0.114910 0.262869 O\n0.937506 0.385090 0.762870 O\n0.034928 -0.084039 0.779003 O\n0.708382 0.355805 0.354431 O\n0.279848 0.462678 0.289168 O\n",
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{
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"created_at": "2022-09-04T14:35:42.325865Z",
"updated_at": "2022-09-04T14:35:42.325890Z",
"structure_string": "Cd24 N16\n1.0\n8.950036 0.000000 -3.164316\n-4.475017 7.750958 -3.164316\n-0.000000 -0.000000 9.492947\nCd N\n24 16\ndirect\n0.755455 0.030540 0.476978 Cd\n0.476978 0.755455 0.030540 Cd\n0.969460 0.523022 0.244545 Cd\n0.255455 0.778477 0.724914 Cd\n0.446438 0.469460 0.224914 Cd\n0.023022 0.053562 0.278476 Cd\n0.778477 0.724915 0.255454 Cd\n0.775086 0.553562 0.530540 Cd\n0.553562 0.530540 0.775086 Cd\n0.469460 0.224914 0.446438 Cd\n0.721524 0.976979 0.946438 Cd\n0.976979 0.946438 0.721523 Cd\n0.278477 0.023022 0.053562 Cd\n0.523022 0.244545 0.969460 Cd\n0.724915 0.255455 0.778476 Cd\n0.221524 0.275086 0.744545 Cd\n0.744546 0.221524 0.275085 Cd\n0.030540 0.476978 0.755455 Cd\n0.275086 0.744545 0.221523 Cd\n0.244545 0.969460 0.523021 Cd\n0.946438 0.721524 0.976978 Cd\n0.224914 0.446438 0.469460 Cd\n0.530540 0.775086 0.553562 Cd\n0.053562 0.278477 0.023022 Cd\n0.500000 0.500000 0.500000 N\n0.278533 0.528533 0.750000 N\n0.750000 0.778533 0.028532 N\n0.528533 0.750000 0.278532 N\n0.721468 0.471468 0.250000 N\n0.028533 0.750000 0.778533 N\n0.750000 0.278533 0.528532 N\n0.778533 0.028533 0.750000 N\n0.250000 0.721468 0.471467 N\n0.471468 0.250000 0.721467 N\n0.971468 0.250000 0.221467 N\n0.250000 0.221467 0.971468 N\n0.221467 0.971468 0.250000 N\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.500000 N\n-0.000000 0.500000 -0.000000 N\n",
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"elements": [
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{
"id": "jvasp-97410",
"created_at": "2022-09-04T14:35:47.279938Z",
"updated_at": "2022-09-04T14:35:47.279960Z",
"structure_string": "Cu8 Se8 O24\n1.0\n7.604611 0.000000 -1.179844\n0.000000 8.353040 0.000000\n0.066181 0.000000 8.567783\nCu Se O\n8 8 24\ndirect\n0.470397 0.797544 0.030988 Cu\n0.411410 0.391649 0.613350 Cu\n0.588590 0.608351 0.386651 Cu\n0.088590 0.891649 0.886650 Cu\n0.529603 0.202456 0.969012 Cu\n0.911410 0.108351 0.113350 Cu\n0.029603 0.297544 0.469012 Cu\n0.970397 0.702456 0.530988 Cu\n0.189856 0.866653 0.295695 Se\n0.677068 0.975292 0.329421 Se\n0.689855 0.633347 0.795695 Se\n0.322932 0.024708 0.670579 Se\n0.810144 0.133347 0.704305 Se\n0.177068 0.524708 0.829420 Se\n0.310144 0.366653 0.204305 Se\n0.822932 0.475292 0.170580 Se\n0.662366 0.931884 0.129069 O\n0.432232 0.424346 0.389247 O\n0.381884 0.789491 0.239006 O\n0.567767 0.575653 0.610754 O\n0.745146 0.790206 0.425093 O\n0.120037 0.930865 0.659790 O\n0.618116 0.210509 0.760994 O\n0.620037 0.569135 0.159791 O\n0.837634 0.431884 0.370932 O\n0.881884 0.710509 0.739006 O\n0.067768 0.924346 0.110754 O\n0.754854 0.290206 0.074907 O\n0.118116 0.289491 0.260994 O\n0.879963 0.069135 0.340210 O\n0.337634 0.068116 0.870931 O\n0.245146 0.709794 0.925093 O\n0.081983 0.694709 0.335636 O\n0.918017 0.305291 0.664364 O\n0.254854 0.209794 0.574907 O\n0.162366 0.568116 0.629068 O\n0.379963 0.430865 0.840210 O\n0.418017 0.194709 0.164364 O\n0.581983 0.805291 0.835636 O\n0.932232 0.075654 0.889247 O\n",
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{
"id": "jvasp-87304",
"created_at": "2022-09-04T14:35:44.657378Z",
"updated_at": "2022-09-04T14:35:44.657401Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.492348 0.000000 0.000000\n0.000000 8.434219 0.000000\n0.000000 0.000000 9.549996\nMg Si O\n8 8 24\ndirect\n-0.017602 0.892924 0.694681 Mg\n0.942592 0.625364 0.537172 Mg\n0.017602 0.107076 0.194681 Mg\n0.517602 0.392924 0.194681 Mg\n0.057408 0.374636 0.037172 Mg\n0.557408 0.125364 0.037172 Mg\n0.482398 0.607076 0.694681 Mg\n0.442592 0.874636 0.537172 Mg\n0.254361 0.835943 0.964610 Si\n0.245639 0.335943 0.464610 Si\n0.745639 0.164057 0.464610 Si\n0.754362 0.664057 0.964610 Si\n0.285058 0.180878 0.756271 Si\n0.714943 0.819123 0.256271 Si\n0.785058 0.319123 0.756271 Si\n0.214942 0.680878 0.256271 Si\n0.025596 0.210910 0.405166 O\n0.245496 0.545215 0.136799 O\n0.529584 0.258889 0.840190 O\n0.765530 0.154377 0.635565 O\n0.745496 0.954785 0.136799 O\n0.322854 0.008005 0.900266 O\n0.789492 0.272770 0.129281 O\n0.234470 0.845624 0.135565 O\n0.254505 0.045215 0.636799 O\n0.474404 0.710910 0.905167 O\n0.029584 0.241111 0.840190 O\n0.210509 0.727230 0.629281 O\n0.734470 0.654376 0.135565 O\n0.525596 0.289090 0.405166 O\n0.470416 0.741111 0.340190 O\n0.677146 0.991995 0.400266 O\n0.710509 0.772770 0.629281 O\n0.970417 0.758890 0.340190 O\n0.265530 0.345623 0.635565 O\n0.822855 0.491995 0.900266 O\n0.177146 0.508005 0.400266 O\n0.289492 0.227230 0.129281 O\n-0.025596 0.789090 0.905167 O\n0.754505 0.454785 0.636799 O\n",
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},
{
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