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{
"id": "jvasp-63289",
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"structure_string": "B8 Mo8 Ru4\n1.0\n3.101267 0.000000 0.000000\n0.000000 7.531605 0.000000\n0.000000 0.000000 9.607321\nB Mo Ru\n8 8 4\ndirect\n0.000000 0.387644 0.040599 B\n0.000000 0.612357 0.959401 B\n0.500001 0.887644 0.459401 B\n0.500001 0.112356 0.540599 B\n0.000000 0.379218 0.232571 B\n0.000000 0.620783 0.767429 B\n0.500001 0.879218 0.267429 B\n0.500001 0.120782 0.732571 B\n0.500001 0.579448 0.139106 Mo\n0.500001 0.420552 0.860893 Mo\n0.000000 0.079448 0.360894 Mo\n0.000000 0.920553 0.639106 Mo\n0.000000 0.306734 0.629771 Mo\n0.500001 0.193266 0.129771 Mo\n0.000000 0.693266 0.370229 Mo\n0.500001 0.806735 0.870229 Mo\n0.500001 0.382434 0.392729 Ru\n0.000000 0.882434 0.107271 Ru\n0.000000 0.117566 0.892729 Ru\n0.500001 0.617567 0.607271 Ru\n",
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"structure_string": "Sr4 Dy2 Sb2 O12\n1.0\n5.846431 0.000000 -0.020515\n0.000000 5.908477 0.000000\n-0.002140 0.000000 8.297199\nSr Dy Sb O\n4 2 2 12\ndirect\n0.508326 0.464673 0.749599 Sr\n0.008327 0.035327 0.249599 Sr\n0.491673 0.535327 0.250401 Sr\n0.991673 0.964673 0.750402 Sr\n-0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.578888 0.978078 0.264157 O\n0.196526 0.774744 0.043001 O\n0.303474 0.274743 0.456999 O\n0.773615 0.199856 0.540687 O\n0.078888 0.521923 0.764156 O\n0.803473 0.225257 0.957000 O\n0.696526 0.725257 0.543001 O\n0.273616 0.300144 0.040687 O\n0.421111 0.021923 0.735844 O\n0.921111 0.478078 0.235844 O\n0.726384 0.699857 0.959314 O\n0.226384 0.800144 0.459314 O\n",
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{
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"updated_at": "2022-09-04T14:36:05.861264Z",
"structure_string": "Sr12 Li8\n1.0\n8.602322 0.000000 0.000000\n0.000000 9.625591 -0.000000\n0.000000 -0.000000 9.625591\nSr Li\n12 8\ndirect\n0.500000 0.649675 0.649675 Sr\n0.250000 0.500000 0.000000 Sr\n0.750000 0.500000 0.000000 Sr\n0.000000 0.287824 0.287824 Sr\n0.500000 0.212176 0.787824 Sr\n0.500000 0.787824 0.212176 Sr\n0.000000 0.712176 0.712176 Sr\n0.000000 0.850325 0.149675 Sr\n0.500000 0.350325 0.350325 Sr\n0.250000 0.000000 0.500000 Sr\n0.000000 0.149675 0.850325 Sr\n0.750000 0.000000 0.500000 Sr\n0.318767 0.112913 0.112913 Li\n0.818767 0.387087 0.612913 Li\n0.818767 0.612913 0.387087 Li\n0.318767 0.887087 0.887087 Li\n0.181233 0.612913 0.387087 Li\n0.181233 0.387087 0.612913 Li\n0.681233 0.112913 0.112913 Li\n0.681233 0.887087 0.887087 Li\n",
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{
"id": "jvasp-96052",
"created_at": "2022-09-04T14:35:53.037892Z",
"updated_at": "2022-09-04T14:35:53.037925Z",
"structure_string": "Co4 Ge4 O12\n1.0\n5.086167 -0.010856 0.717142\n0.849917 6.579033 0.522625\n-0.028540 0.048192 6.654024\nCo Ge O\n4 4 12\ndirect\n0.250001 0.741487 0.258513 Co\n0.750000 0.258512 0.741487 Co\n0.750001 0.907280 0.092718 Co\n0.249999 0.092717 0.907281 Co\n0.288226 0.208720 0.397494 Ge\n0.711773 0.791277 0.602506 Ge\n0.788227 0.397493 0.208720 Ge\n0.211774 0.602505 0.791280 Ge\n0.132262 0.795120 0.968456 O\n0.367739 0.031542 0.204880 O\n0.600376 0.291516 0.437461 O\n0.614116 0.630542 0.133983 O\n0.885886 0.866016 0.369457 O\n0.385885 0.369456 0.866017 O\n0.114115 0.133983 0.630543 O\n0.100375 0.437461 0.291516 O\n0.399626 0.708482 0.562539 O\n0.899627 0.562539 0.708483 O\n0.867739 0.204880 0.031543 O\n0.632263 0.968455 0.795120 O\n",
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{
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"created_at": "2022-09-04T14:35:56.138565Z",
"updated_at": "2022-09-04T14:35:56.138587Z",
"structure_string": "Ba4 Y2 F14\n1.0\n6.873505 3.386312 -0.038424\n-6.873505 3.386312 0.038424\n-4.723861 0.000000 6.648100\nBa Y F\n4 2 14\ndirect\n0.315357 0.671537 0.744208 Ba\n0.328462 0.684642 0.244208 Ba\n0.671537 0.315357 0.755792 Ba\n0.684642 0.328462 0.255792 Ba\n0.986179 0.986179 0.750000 Y\n0.013820 0.013820 0.250000 Y\n0.943104 0.779317 0.074252 F\n0.884322 0.632611 0.455172 F\n0.365014 0.365014 0.250000 F\n0.220682 0.056895 0.574252 F\n0.632611 0.884322 0.044828 F\n0.367389 0.115678 0.955172 F\n0.115678 0.367388 0.544828 F\n0.634986 0.634986 0.750000 F\n0.696983 0.069587 0.637928 F\n0.056895 0.220682 0.925748 F\n0.303017 0.930413 0.362072 F\n0.069587 0.696983 0.862072 F\n0.779317 0.943104 0.425748 F\n0.930413 0.303017 0.137928 F\n",
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{
"id": "jvasp-91343",
"created_at": "2022-09-04T14:36:04.220197Z",
"updated_at": "2022-09-04T14:36:04.220217Z",
"structure_string": "Nb4 Te4 Br12\n1.0\n6.612030 0.000000 -0.893542\n0.000000 7.180704 0.000000\n0.005221 0.000000 12.697362\nNb Te Br\n4 4 12\ndirect\n0.930770 0.352124 0.852860 Nb\n0.069230 0.352124 0.647140 Nb\n0.069230 0.647876 0.147140 Nb\n0.930770 0.647876 0.352860 Nb\n0.189608 0.064034 0.805370 Te\n0.810392 0.935966 0.194630 Te\n0.189608 0.935966 0.305370 Te\n0.810392 0.064034 0.694630 Te\n0.744534 0.452129 0.196264 Br\n0.255466 0.452129 0.303736 Br\n0.153096 0.319506 0.045624 Br\n0.638260 0.787758 0.438538 Br\n0.361740 0.787758 0.061462 Br\n0.361740 0.212241 0.561462 Br\n0.638260 0.212241 0.938538 Br\n0.153096 0.680494 0.545624 Br\n0.846904 0.680494 0.954376 Br\n0.846904 0.319506 0.454376 Br\n0.744534 0.547872 0.696263 Br\n0.255466 0.547872 0.803736 Br\n",
"nsites": 20,
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],
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{
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"created_at": "2022-09-04T14:35:50.400905Z",
"updated_at": "2022-09-04T14:35:50.400931Z",
"structure_string": "Tl4 Cd4 I12\n1.0\n4.436568 0.000000 0.000000\n-0.000000 10.134274 0.000000\n0.000000 0.000000 16.361685\nTl Cd I\n4 4 12\ndirect\n0.750000 0.559515 0.175758 Tl\n0.750000 0.059515 0.324242 Tl\n0.250000 0.940484 0.675758 Tl\n0.250000 0.440484 0.824242 Tl\n0.250000 0.667405 0.443434 Cd\n0.750000 0.832595 0.943435 Cd\n0.250000 0.167405 0.056566 Cd\n0.750000 0.332595 0.556566 Cd\n0.250000 0.023716 0.892133 I\n0.750000 0.476284 0.392133 I\n0.250000 0.523716 0.607867 I\n0.750000 0.838483 0.510191 I\n0.750000 0.338483 0.989809 I\n0.250000 0.661516 0.010191 I\n0.750000 0.708311 0.783626 I\n0.250000 0.291688 0.216374 I\n0.750000 0.208312 0.716374 I\n0.250000 0.791688 0.283626 I\n0.750000 0.976283 0.107867 I\n0.250000 0.161516 0.489809 I\n",
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{
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"created_at": "2022-09-04T14:36:04.018423Z",
"updated_at": "2022-09-04T14:36:04.018446Z",
"structure_string": "La4 Mn4 O12\n1.0\n5.547815 0.000000 0.000000\n-0.000000 5.546901 0.000000\n0.000000 0.000000 7.825193\nLa Mn O\n4 4 12\ndirect\n0.005709 0.969342 0.750000 La\n0.494290 0.469343 0.750000 La\n0.505709 0.530657 0.250000 La\n0.994290 0.030657 0.250000 La\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.780708 0.781541 0.036858 O\n0.719291 0.281541 0.463142 O\n0.719291 0.281541 0.036858 O\n0.569040 0.010888 0.750000 O\n0.430959 0.989112 0.250000 O\n0.219291 0.218459 0.963141 O\n0.280708 0.718459 0.536858 O\n0.219291 0.218459 0.536858 O\n0.780708 0.781541 0.463142 O\n0.069040 0.489112 0.250000 O\n0.280708 0.718459 0.963141 O\n0.930959 0.510888 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:38:51.709047Z",
"updated_at": "2022-09-04T14:38:51.709069Z",
"structure_string": "Th4 Cr4 S12\n1.0\n6.223356 -0.000000 0.000000\n0.000000 7.353811 0.000000\n0.000000 -0.000000 8.969419\nTh Cr S\n4 4 12\ndirect\n0.450561 0.884753 0.250000 Th\n0.049440 0.384753 0.250000 Th\n0.549440 0.115247 0.750000 Th\n0.950561 0.615247 0.750000 Th\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.171419 0.675501 0.054894 S\n0.328581 0.175501 0.445106 S\n0.171419 0.675501 0.445106 S\n0.328581 0.175501 0.054894 S\n0.828581 0.324499 0.945106 S\n0.868805 0.034883 0.250000 S\n0.131195 0.965117 0.750000 S\n0.368805 0.465117 0.750000 S\n0.671420 0.824499 0.945106 S\n0.631196 0.534883 0.250000 S\n0.671420 0.824499 0.554894 S\n0.828581 0.324499 0.554894 S\n",
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{
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"created_at": "2022-09-04T14:38:51.775190Z",
"updated_at": "2022-09-04T14:38:51.775226Z",
"structure_string": "La3 Sm1 Fe4 O12\n1.0\n7.706400 -0.000000 0.000000\n0.000000 5.465287 0.016441\n-0.000000 0.003149 5.474011\nLa Sm Fe O\n3 1 4 12\ndirect\n-0.000000 0.003906 0.969560 La\n0.500000 0.505404 0.527683 La\n0.500000 0.994422 0.031128 La\n-0.000000 0.490771 0.458445 Sm\n0.248576 0.500803 0.998967 Fe\n0.751827 0.999675 0.501050 Fe\n0.751424 0.500803 0.998967 Fe\n0.248173 0.999675 0.501050 Fe\n-0.000000 0.921001 0.504933 O\n-0.000000 0.559380 0.016367 O\n0.209351 0.283156 0.712939 O\n0.785559 0.222091 0.226087 O\n0.718854 0.722406 0.282134 O\n0.790650 0.283156 0.712939 O\n0.281147 0.722406 0.282134 O\n0.717878 0.784383 0.780287 O\n0.500000 0.438671 0.992178 O\n0.214441 0.222091 0.226087 O\n0.282122 0.784383 0.780287 O\n0.500000 0.061428 0.496772 O\n",
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"volume": 230.55228698460368,
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{
"id": "jvasp-121989",
"created_at": "2022-09-04T14:38:54.250809Z",
"updated_at": "2022-09-04T14:38:54.250826Z",
"structure_string": "Co1 Mo4 O15\n1.0\n5.264158 -0.065159 1.196512\n0.045206 6.596842 0.107427\n-0.088819 0.058621 7.469793\nCo Mo O\n1 4 15\ndirect\n0.000000 0.000000 0.000000 Co\n0.550609 0.303089 0.813779 Mo\n0.449392 0.696910 0.186221 Mo\n0.880960 0.327663 0.384364 Mo\n0.119041 0.672336 0.615636 Mo\n0.048539 0.830452 0.803988 O\n0.951462 0.169548 0.196011 O\n0.665945 0.500847 0.308763 O\n0.334056 0.499152 0.691236 O\n0.164184 0.499429 0.351057 O\n0.835817 0.500570 0.648943 O\n0.500001 0.500000 -0.000000 O\n0.626047 0.190601 0.567130 O\n0.064041 0.141897 0.536045 O\n0.717968 0.848567 0.106654 O\n0.282033 0.151432 0.893345 O\n0.212223 0.833588 0.104214 O\n0.787778 0.166411 0.895786 O\n0.373954 0.809398 0.432869 O\n0.935960 0.858103 0.463954 O\n",
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{
"id": "jvasp-116647",
"created_at": "2022-09-04T14:38:52.438108Z",
"updated_at": "2022-09-04T14:38:52.438127Z",
"structure_string": "Sr2 Ca2 Mn4 O12\n1.0\n6.208415 -0.009773 2.135893\n-3.117452 5.308051 2.283173\n-0.122867 -0.009777 6.564403\nSr Ca Mn O\n2 2 4 12\ndirect\n0.500003 0.000003 -0.000003 Sr\n0.000002 0.000003 0.499997 Sr\n0.499989 0.499983 0.499988 Ca\n-0.000008 0.499984 -0.000011 Ca\n0.500017 -0.000014 0.499976 Mn\n0.000018 0.499997 0.499966 Mn\n0.000018 -0.000014 -0.000024 Mn\n0.500019 0.499998 -0.000035 Mn\n0.750005 0.296491 0.453513 O\n0.249990 0.296484 0.953533 O\n0.038849 0.788858 0.250010 O\n0.538840 0.788860 0.750018 O\n-0.038864 0.211150 0.750014 O\n0.250005 0.500006 0.250026 O\n0.749983 -0.000008 0.250019 O\n0.250000 0.000022 0.750005 O\n0.750004 0.703523 0.046481 O\n0.749988 0.500003 0.750011 O\n0.461142 0.211149 0.250009 O\n0.249989 0.703518 0.546501 O\n",
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]
}