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{
"id": "jvasp-25889",
"created_at": "2022-09-04T14:38:04.113023Z",
"updated_at": "2022-09-04T14:38:04.113042Z",
"structure_string": "N2 Cl2 O2 F8\n1.0\n5.416672 0.000000 -2.720374\n-1.366232 5.241541 -2.720374\n0.065795 0.085143 6.883898\nN Cl O F\n2 2 2 8\ndirect\n0.329283 0.329284 0.658569 N\n0.829283 0.829283 0.658570 N\n0.000874 0.500874 0.001750 Cl\n0.500874 0.000874 0.001749 Cl\n0.726884 0.726884 0.453769 O\n0.226884 0.226884 0.453768 O\n0.762393 0.970099 0.232494 F\n0.035235 0.535235 0.750964 F\n0.470099 0.262393 0.232493 F\n0.215727 0.035235 0.750964 F\n0.970099 0.470099 0.232493 F\n0.535235 0.715727 0.750964 F\n0.262393 0.762393 0.232493 F\n0.715727 0.215728 0.750964 F\n",
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{
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"structure_string": "Cd2 In4 S8\n1.0\n6.728180 0.000000 3.884517\n2.242726 6.343390 3.884517\n-0.000000 -0.000000 7.769034\nCd In S\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875000 0.875000 Cd\n0.500000 0.500000 0.000000 In\n0.500000 -0.000000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.740597 0.740596 0.278212 S\n0.278212 0.740596 0.740596 S\n0.740597 0.740596 0.740596 S\n0.259404 0.721788 0.259404 S\n0.740597 0.278212 0.740596 S\n0.721788 0.259404 0.259404 S\n0.259404 0.259404 0.259404 S\n0.259404 0.259404 0.721788 S\n",
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{
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"updated_at": "2022-09-04T14:38:02.339338Z",
"structure_string": "Sc5 C1 Cl8\n1.0\n3.467314 0.000000 0.658189\n1.528008 8.811306 1.412445\n-0.004119 0.011528 9.483626\nSc C Cl\n5 1 8\ndirect\n0.837859 0.648347 0.675933 Sc\n0.162140 0.351653 0.324067 Sc\n0.486399 0.639596 0.387605 Sc\n0.513600 0.360404 0.612395 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 C\n0.033072 0.172980 0.760876 Cl\n0.966927 0.827020 0.239124 Cl\n0.329992 0.503823 0.836191 Cl\n0.670007 0.496177 0.163809 Cl\n0.702847 0.163098 0.431205 Cl\n0.297152 0.836903 0.568795 Cl\n0.367992 0.164718 0.099297 Cl\n0.632007 0.835282 0.900703 Cl\n",
"nsites": 14,
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{
"id": "jvasp-30763",
"created_at": "2022-09-04T14:37:53.210957Z",
"updated_at": "2022-09-04T14:37:53.210986Z",
"structure_string": "Ta4 O10\n1.0\n10.359619 0.000000 0.000000\n0.000000 5.036005 -1.918919\n0.000000 0.000000 3.837837\nTa O\n4 10\ndirect\n0.176925 0.764945 0.882473 Ta\n0.323075 0.235054 0.617527 Ta\n0.676925 0.235054 0.617527 Ta\n0.823075 0.764945 0.882473 Ta\n0.000000 0.885584 0.942792 O\n0.138318 0.406253 0.703127 O\n0.206334 0.857968 0.428983 O\n0.293666 0.142029 0.071015 O\n0.361682 0.593746 0.796873 O\n0.500000 0.114415 0.557208 O\n0.638318 0.593746 0.796873 O\n0.861682 0.406253 0.703127 O\n0.706334 0.142029 0.071015 O\n0.793666 0.857968 0.428983 O\n",
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{
"id": "jvasp-45849",
"created_at": "2022-09-04T14:37:59.646853Z",
"updated_at": "2022-09-04T14:37:59.646884Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.904721 -0.089804 -0.084495\n-2.530134 4.382320 0.168992\n-0.147802 0.256001 8.674891\nLi Co P O\n2 2 2 8\ndirect\n-0.119425 0.949847 0.686228 Li\n0.119426 0.069275 0.186228 Li\n0.409193 0.691836 0.355017 Co\n0.590809 0.282645 0.855017 Co\n0.276754 0.639424 0.723989 P\n0.723247 0.362671 0.223990 P\n-0.054473 0.608983 0.724785 O\n0.452937 0.786228 0.568197 O\n0.510491 0.862562 0.843667 O\n0.228460 0.313234 0.758565 O\n0.489511 0.352073 0.343667 O\n0.547064 0.333292 0.068197 O\n0.771542 0.084775 0.258565 O\n0.054475 0.663457 0.224785 O\n",
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{
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"created_at": "2022-09-04T14:37:59.522401Z",
"updated_at": "2022-09-04T14:37:59.522416Z",
"structure_string": "Zn2 Co4 O8\n1.0\n2.878460 -4.985640 0.000000\n2.878460 4.985640 -0.000000\n-0.000000 -3.323760 4.700507\nZn Co O\n2 4 8\ndirect\n0.125000 0.375000 0.125000 Zn\n0.875000 0.625000 0.875001 Zn\n-0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 -0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.264529 0.235471 0.264529 O\n0.264529 0.235471 0.706414 O\n0.735470 0.206413 0.735471 O\n0.706413 0.235471 0.264529 O\n0.293586 0.764529 0.735471 O\n0.264529 0.793587 0.264529 O\n0.735471 0.764529 0.293587 O\n0.735470 0.764529 0.735471 O\n",
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{
"id": "jvasp-58482",
"created_at": "2022-09-04T14:37:59.574124Z",
"updated_at": "2022-09-04T14:37:59.574154Z",
"structure_string": "Ca2 Fe4 S8\n1.0\n5.950471 -0.000000 -3.124074\n-1.640178 5.719960 -3.124073\n0.077733 0.103155 7.377075\nCa Fe S\n2 4 8\ndirect\n0.375000 0.625001 0.750000 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.791679 0.810502 0.583360 S\n0.727142 0.208321 0.916640 S\n0.189498 0.208321 0.916640 S\n0.208320 0.189499 0.416640 S\n0.208320 0.727143 0.416641 S\n0.272857 0.791680 0.083360 S\n0.791679 0.272858 0.583360 S\n0.810501 0.791680 0.083360 S\n",
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{
"id": "jvasp-46866",
"created_at": "2022-09-04T14:37:59.565296Z",
"updated_at": "2022-09-04T14:37:59.565315Z",
"structure_string": "Li1 Mn5 O3 F5\n1.0\n0.012851 4.476962 4.476962\n4.489814 0.000000 4.489814\n4.489814 4.489814 0.000000\nLi Mn O F\n1 5 3 5\ndirect\n0.264117 0.245294 0.245294 Li\n0.951481 0.016173 0.016173 Mn\n0.646564 0.111071 0.621182 Mn\n0.646564 0.621182 0.111071 Mn\n0.105009 0.631663 0.631663 Mn\n0.646564 0.621182 0.621182 Mn\n0.857069 0.405667 0.868631 O\n0.857069 0.868631 0.405667 O\n0.857069 0.868631 0.868631 O\n0.878978 0.373673 0.373673 F\n0.388299 0.380880 0.380880 F\n0.388299 0.849938 0.380880 F\n0.388299 0.380880 0.849938 F\n0.374616 0.875128 0.875128 F\n",
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{
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"created_at": "2022-09-04T14:37:53.272950Z",
"updated_at": "2022-09-04T14:37:53.272968Z",
"structure_string": "Al4 Cd2 S8\n1.0\n6.336935 -0.000000 3.658631\n2.112312 5.974519 3.658631\n0.000000 0.000000 7.317262\nAl Cd S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500000 0.500000 Al\n0.499999 0.500000 0.500000 Al\n0.499999 0.500000 0.000000 Al\n0.874999 0.875000 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.264431 0.264431 0.706706 S\n0.735568 0.735569 0.735569 S\n0.264431 0.264431 0.264431 S\n0.735568 0.735569 0.293294 S\n0.293293 0.735569 0.735569 S\n0.735568 0.293294 0.735569 S\n0.706705 0.264431 0.264431 S\n0.264431 0.706706 0.264431 S\n",
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{
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"structure_string": "Mn6 O8\n1.0\n-1.396901 4.972339 -2.686030\n3.738541 4.933581 0.880090\n5.164802 -0.000028 -2.686065\nMn O\n6 8\ndirect\n0.125002 0.249997 0.374993 Mn\n0.874997 0.750004 0.625006 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.271060 0.510178 0.244913 O\n0.255103 0.989794 0.228957 O\n0.744918 0.010162 0.218774 O\n0.744897 0.010206 0.771042 O\n0.281237 0.489822 0.755086 O\n0.728940 0.489822 0.755086 O\n0.718762 0.510178 0.244913 O\n0.255081 0.989838 0.781225 O\n",
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{
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"structure_string": "Li4 Mn2 O2 F6\n1.0\n-3.769519 4.221466 0.156608\n3.769519 0.156608 4.221466\n3.884179 4.334590 0.043484\nLi Mn O F\n4 2 2 6\ndirect\n0.481766 0.991767 0.496879 Li\n0.483839 0.493778 0.522385 Li\n0.897239 0.749774 0.852989 Li\n0.011354 0.521356 0.496879 Li\n0.514661 0.980935 0.004407 Mn\n0.044067 0.273985 0.181949 Mn\n0.714469 0.958397 0.236159 O\n0.305445 0.549372 0.236159 O\n0.791354 0.031226 0.677420 F\n0.813005 0.460839 0.226156 F\n0.712231 0.442363 0.762487 F\n0.295149 0.025282 0.762487 F\n0.210664 0.999626 0.289712 F\n0.224762 0.521303 0.753936 F\n",
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{
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"created_at": "2022-09-04T14:37:59.356646Z",
"updated_at": "2022-09-04T14:37:59.356669Z",
"structure_string": "V4 Co2 O8\n1.0\n5.821143 0.016512 -0.000000\n-0.013885 5.821150 -0.000000\n-2.903629 -2.918831 4.115258\nV Co O\n4 2 8\ndirect\n-0.000000 0.500000 0.500000 V\n0.499999 0.500000 0.500000 V\n0.499999 0.500000 0.000000 V\n0.500000 -0.000000 0.000000 V\n0.124999 0.875000 0.250000 Co\n0.875000 0.125000 0.750000 Co\n0.257476 0.742729 0.985252 O\n0.257271 0.742523 0.514749 O\n0.257477 0.272227 0.514749 O\n0.727773 0.742523 0.985252 O\n0.272226 0.257477 0.014748 O\n0.742522 0.727773 0.485252 O\n0.742728 0.257477 0.485252 O\n0.742522 0.257271 0.014748 O\n",
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}