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{
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"structure_string": "Ca4 Nb4 O12\n1.0\n5.537983 -0.000000 0.000000\n0.000000 5.717710 0.000000\n0.000000 0.000000 7.950385\nCa Nb O\n4 4 12\ndirect\n0.989146 0.946042 0.750000 Ca\n0.489147 0.553958 0.250000 Ca\n0.510853 0.446042 0.750000 Ca\n0.010853 0.053958 0.250000 Ca\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.407687 0.029493 0.750000 O\n0.907686 0.470507 0.250000 O\n0.802292 0.202493 0.548291 O\n0.802292 0.202493 0.951710 O\n0.302293 0.297507 0.048291 O\n0.697707 0.702493 0.548291 O\n0.197707 0.797507 0.451710 O\n0.197707 0.797507 0.048291 O\n0.697707 0.702493 0.951710 O\n0.302293 0.297507 0.451710 O\n0.592313 0.970507 0.250000 O\n0.092313 0.529493 0.750000 O\n",
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{
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"structure_string": "Li5 Mn3 Co2 O10\n1.0\n5.046889 0.013629 -0.059781\n-0.810438 5.001416 0.030861\n-2.378097 -2.255345 6.851474\nLi Mn Co O\n5 3 2 10\ndirect\n0.093748 0.800212 0.583215 Li\n0.717455 0.617964 0.224888 Li\n0.499999 0.500000 0.500000 Li\n0.282543 0.382036 0.775112 Li\n0.906251 0.199788 0.416784 Li\n0.500000 0.000000 0.000000 Mn\n0.108721 0.311836 0.110560 Mn\n0.891278 0.688164 0.889439 Mn\n0.697814 0.099812 0.696697 Co\n0.302185 0.900188 0.303303 Co\n0.710702 0.328351 0.954542 O\n0.909161 0.930498 0.143785 O\n0.289297 0.671649 0.045457 O\n0.679700 0.870627 0.454179 O\n0.524299 0.768914 0.761513 O\n0.114683 0.559173 0.338273 O\n0.885316 0.440826 0.661726 O\n0.475700 0.231086 0.238487 O\n0.320299 0.129373 0.545821 O\n0.090838 0.069502 0.856215 O\n",
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{
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"updated_at": "2022-09-04T14:38:00.979732Z",
"structure_string": "P2 H12 N2 O4\n1.0\n3.711080 5.786280 0.000000\n-3.711080 5.786280 0.000000\n0.000000 -0.000000 3.891292\nP H N O\n2 12 2 4\ndirect\n0.250000 0.250000 0.065846 P\n0.750000 0.750000 0.934153 P\n0.780274 0.115242 0.345581 H\n0.884758 0.219726 0.654418 H\n0.615242 0.280274 0.654418 H\n0.719726 0.384758 0.345581 H\n0.400395 0.099605 0.291298 H\n0.900395 0.599605 0.708702 H\n0.099605 0.400395 0.291298 H\n0.280274 0.615242 0.654418 H\n0.384758 0.719726 0.345581 H\n0.219726 0.884758 0.654418 H\n0.115242 0.780274 0.345581 H\n0.599605 0.900395 0.708702 H\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.363505 0.363505 0.867960 O\n0.136494 0.136494 0.867960 O\n0.863505 0.863505 0.132040 O\n0.636494 0.636494 0.132040 O\n",
"nsites": 20,
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{
"id": "jvasp-23959",
"created_at": "2022-09-04T14:37:44.721086Z",
"updated_at": "2022-09-04T14:37:44.721098Z",
"structure_string": "Rb4 H8 O4 F4\n1.0\n4.169622 -0.000000 0.000000\n-0.000000 7.957642 0.000000\n0.000000 0.000000 8.363844\nRb H O F\n4 8 4 4\ndirect\n0.750000 0.256215 0.046068 Rb\n0.250000 0.743785 0.953932 Rb\n0.750000 0.756215 0.453932 Rb\n0.250000 0.243785 0.546067 Rb\n0.558756 0.468387 0.764490 H\n0.058756 0.531613 0.235509 H\n0.441244 0.031613 0.264491 H\n0.941244 0.968386 0.735509 H\n0.941244 0.468387 0.764490 H\n0.058756 0.031613 0.264491 H\n0.558756 0.968386 0.735509 H\n0.441244 0.531613 0.235509 H\n0.750000 0.506484 0.701629 O\n0.250000 0.493516 0.298371 O\n0.750000 0.006484 0.798371 O\n0.250000 0.993516 0.201629 O\n0.750000 0.601983 0.140152 F\n0.750000 0.101983 0.359848 F\n0.250000 0.898017 0.640151 F\n0.250000 0.398017 0.859848 F\n",
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{
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"created_at": "2022-09-04T14:37:38.185458Z",
"updated_at": "2022-09-04T14:37:38.185483Z",
"structure_string": "Nb4 Cl12 O4\n1.0\n10.862003 0.000000 0.000000\n-0.000000 10.862003 0.000000\n-0.000000 0.000000 3.936044\nNb Cl O\n4 12 4\ndirect\n0.628656 0.871343 0.705501 Nb\n0.128657 0.628656 0.294498 Nb\n0.371343 0.128657 0.705501 Nb\n0.871343 0.371343 0.294498 Nb\n0.107772 0.838930 0.247141 Cl\n0.338930 0.607772 0.247141 Cl\n0.661070 0.392228 0.247141 Cl\n0.606570 0.106570 0.760520 Cl\n0.892227 0.161070 0.247141 Cl\n0.392228 0.338930 0.752858 Cl\n0.607772 0.661070 0.752858 Cl\n0.893430 0.606570 0.239479 Cl\n0.393430 0.893430 0.760520 Cl\n0.161070 0.107772 0.752858 Cl\n0.838930 0.892227 0.752858 Cl\n0.106570 0.393430 0.239479 Cl\n0.116765 0.616765 0.755761 O\n0.616765 0.883235 0.244238 O\n0.383235 0.116765 0.244238 O\n0.883235 0.383235 0.755761 O\n",
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{
"id": "jvasp-23511",
"created_at": "2022-09-04T14:37:43.495595Z",
"updated_at": "2022-09-04T14:37:43.495614Z",
"structure_string": "Ca4 Ru4 O12\n1.0\n5.329074 0.000000 0.000000\n-0.000000 5.586906 0.000000\n0.000000 0.000000 7.676982\nCa Ru O\n4 4 12\ndirect\n0.017188 0.439165 0.250000 Ca\n0.517188 0.060836 0.750000 Ca\n0.482811 0.939165 0.250000 Ca\n0.982811 0.560836 0.750000 Ca\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.599605 0.529577 0.250000 O\n0.099606 0.970423 0.750000 O\n0.304809 0.200901 0.050188 O\n0.804809 0.299099 0.949812 O\n0.195190 0.700902 0.449812 O\n0.804809 0.299099 0.550188 O\n0.695190 0.799099 0.949812 O\n0.195190 0.700902 0.050188 O\n0.400394 0.470423 0.750000 O\n0.304809 0.200901 0.449812 O\n0.695190 0.799099 0.550188 O\n0.900394 0.029577 0.250000 O\n",
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},
{
"id": "jvasp-37494",
"created_at": "2022-09-04T14:38:05.482652Z",
"updated_at": "2022-09-04T14:38:05.482674Z",
"structure_string": "Sm6 Sb8 Au6\n1.0\n-5.013880 5.013884 5.013884\n5.013884 -5.013880 5.013884\n5.013884 5.013884 -5.013880\nSm Sb Au\n6 8 6\ndirect\n0.250000 0.625000 0.374999 Sm\n0.749999 0.874999 0.124998 Sm\n0.374999 0.250000 0.625000 Sm\n0.625000 0.374999 0.250000 Sm\n0.124998 0.749999 0.874999 Sm\n0.874999 0.124998 0.749999 Sm\n0.822208 0.499999 -0.000001 Sb\n-0.000001 0.822208 0.499999 Sb\n0.499999 -0.000001 0.822208 Sb\n0.677790 0.677790 0.677790 Sb\n-0.000000 0.322210 0.499999 Sb\n0.322210 0.499999 -0.000000 Sb\n0.499999 -0.000000 0.322210 Sb\n0.177790 0.177790 0.177790 Sb\n0.249998 0.124998 0.874999 Au\n0.750000 0.374999 0.624999 Au\n0.874999 0.249998 0.124998 Au\n0.124998 0.874999 0.249998 Au\n0.624999 0.750000 0.374999 Au\n0.374999 0.624999 0.750000 Au\n",
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{
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"created_at": "2022-09-04T14:37:53.148802Z",
"updated_at": "2022-09-04T14:37:53.148820Z",
"structure_string": "Tb4 Si10 Ru6\n1.0\n5.316168 -0.000000 1.924769\n2.061620 7.568599 2.609804\n0.013346 -0.009530 8.267090\nTb Si Ru\n4 10 6\ndirect\n0.635486 0.096789 0.632240 Tb\n0.864515 0.367760 0.903211 Tb\n0.135486 0.632240 0.096788 Tb\n0.364515 0.903211 0.367760 Tb\n0.095461 0.236157 0.572923 Si\n0.904540 0.763843 0.427077 Si\n0.250000 0.000000 0.000000 Si\n0.458751 0.291249 0.291249 Si\n0.041249 0.708751 0.708751 Si\n0.541250 0.708751 0.708751 Si\n0.958752 0.291249 0.291249 Si\n0.750000 0.000000 0.000000 Si\n0.404540 0.427077 0.763843 Si\n0.595461 0.572923 0.236157 Si\n0.854277 0.052039 0.239408 Ru\n0.750001 0.500000 0.500000 Ru\n0.354276 0.239409 0.052039 Ru\n0.645725 0.760592 0.947960 Ru\n0.145725 0.947961 0.760591 Ru\n0.250000 0.500000 0.500000 Ru\n",
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{
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"structure_string": "Y4 Er4 O12\n1.0\n5.631749 -0.000000 0.000000\n-0.000000 5.905541 0.000000\n0.000000 0.000000 8.356703\nY Er O\n4 4 12\ndirect\n0.020547 0.944145 0.750000 Y\n0.479453 0.444145 0.750000 Y\n0.520547 0.555855 0.250000 Y\n0.979453 0.055855 0.250000 Y\n0.000000 0.500000 0.000000 Er\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.814520 0.810760 0.079952 O\n0.685480 0.310760 0.079952 O\n0.685480 0.310760 0.420047 O\n0.649649 0.079508 0.750000 O\n0.350352 0.920492 0.250000 O\n0.185480 0.189240 0.579952 O\n0.314520 0.689240 0.920047 O\n0.185480 0.189240 0.920047 O\n0.814520 0.810760 0.420047 O\n0.149649 0.420492 0.250000 O\n0.314520 0.689240 0.579952 O\n0.850352 0.579508 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:00.885367Z",
"updated_at": "2022-09-04T14:38:00.885390Z",
"structure_string": "Hg4 P4 Se12\n1.0\n6.547098 -0.000000 0.986293\n3.273550 5.785958 0.493147\n0.027675 0.000000 13.825192\nHg P Se\n4 4 12\ndirect\n0.768136 0.813732 0.064686 Hg\n0.231864 0.186268 0.935314 Hg\n0.581869 0.186268 0.564686 Hg\n0.418132 0.813732 0.435314 Hg\n0.529971 0.532783 0.915946 P\n0.062753 0.467218 0.415946 P\n0.470030 0.467218 0.084054 P\n0.937248 0.532783 0.584054 P\n0.171750 0.393232 0.112893 Se\n0.564983 0.606768 0.612893 Se\n0.828250 0.606768 0.887107 Se\n0.035828 0.163727 0.375961 Se\n0.964173 0.836274 0.624039 Se\n0.199555 0.836274 0.875961 Se\n0.387758 0.781722 0.159963 Se\n0.830521 0.781722 0.340037 Se\n0.612243 0.218279 0.840036 Se\n0.169480 0.218279 0.659963 Se\n0.435018 0.393232 0.387107 Se\n0.800446 0.163727 0.124039 Se\n",
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{
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"created_at": "2022-09-04T14:37:43.940902Z",
"updated_at": "2022-09-04T14:37:43.940934Z",
"structure_string": "P4 Cl8 O4 F4\n1.0\n0.000000 9.114311 -0.020491\n5.491430 0.000000 0.000000\n0.000000 -4.088694 -8.377938\nP Cl O F\n4 8 4 4\ndirect\n0.445969 0.360792 0.776875 P\n0.554031 0.639208 0.223125 P\n0.945969 0.139208 0.776875 P\n0.054031 0.860792 0.223125 P\n0.606123 0.814698 0.427593 Cl\n0.893878 0.314698 0.572407 Cl\n0.880603 0.099427 0.197121 Cl\n0.393878 0.185302 0.572407 Cl\n0.119397 0.900573 0.802879 Cl\n0.106123 0.685302 0.427593 Cl\n0.619397 0.599427 0.802879 Cl\n0.380603 0.400573 0.197121 Cl\n0.804224 0.038037 0.791314 O\n0.695776 0.538037 0.208686 O\n0.304224 0.461963 0.791314 O\n0.195776 0.961963 0.208686 O\n0.461744 0.839288 0.096091 F\n0.538256 0.160712 0.903909 F\n0.961744 0.660712 0.096091 F\n0.038256 0.339288 0.903909 F\n",
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{
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"created_at": "2022-09-04T14:37:36.119649Z",
"updated_at": "2022-09-04T14:37:36.119676Z",
"structure_string": "Ca4 Sb2 Mo2 O12\n1.0\n0.000000 5.559729 -0.035266\n8.036466 0.000000 0.000000\n0.000000 0.026688 -5.819631\nCa Sb Mo O\n4 2 2 12\ndirect\n0.482009 0.250000 0.565390 Ca\n0.517991 0.750000 0.434611 Ca\n0.011405 0.250000 0.057845 Ca\n0.988596 0.750000 0.942155 Ca\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.329967 0.438922 0.288769 O\n0.599893 0.250000 0.962587 O\n0.670033 0.938922 0.711232 O\n0.116466 0.750000 0.545839 O\n0.206474 0.059747 0.820194 O\n0.793527 0.940254 0.179807 O\n0.206474 0.440254 0.820194 O\n0.329967 0.061078 0.288769 O\n0.883535 0.250000 0.454161 O\n0.670033 0.561079 0.711232 O\n0.793527 0.559747 0.179807 O\n0.400108 0.750000 0.037414 O\n",
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]
}