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{
"id": "jvasp-98902",
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"structure_string": "Ca10 P12 Pd12\n1.0\n4.118191 -0.000003 0.000001\n-0.000005 8.154886 -0.000000\n0.000004 0.000000 19.274739\nCa P Pd\n10 12 12\ndirect\n0.499998 0.992201 0.181771 Ca\n0.999999 0.001219 0.629734 Ca\n0.499998 0.492202 0.818229 Ca\n0.499999 0.507799 0.181771 Ca\n-0.000001 0.998782 0.370266 Ca\n0.499999 0.007799 0.818229 Ca\n0.000001 -0.000000 -0.000000 Ca\n-0.000001 0.498781 0.629734 Ca\n0.999998 0.501219 0.370265 Ca\n-0.000001 0.500000 0.000000 Ca\n0.499999 0.250000 0.942020 P\n-0.000000 0.250000 0.126204 P\n-0.000002 0.750000 0.873797 P\n-0.000001 0.750000 0.244860 P\n0.499998 0.750000 0.426695 P\n0.499999 0.250000 0.573305 P\n0.999999 0.250000 0.755140 P\n0.499999 0.750000 0.576489 P\n-0.000000 0.250000 0.241776 P\n-0.000001 0.750000 0.758224 P\n0.499998 0.750000 0.057980 P\n0.499998 0.250000 0.423511 P\n0.499999 0.500000 0.500000 Pd\n0.499999 0.000000 0.500000 Pd\n-0.000001 0.750000 0.501253 Pd\n0.499998 0.750001 0.699056 Pd\n0.499999 0.750001 0.305748 Pd\n0.500000 0.250000 0.066775 Pd\n0.499999 0.250000 0.300944 Pd\n0.999998 0.250001 0.879269 Pd\n0.499998 0.250000 0.694253 Pd\n0.999997 0.750001 0.120731 Pd\n-0.000000 0.250000 0.498747 Pd\n0.499998 0.750001 0.933225 Pd\n",
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"structure_string": "Sr6 Te6 O18\n1.0\n5.962828 -0.172203 -0.066628\n-0.247310 7.862282 3.233286\n-0.425354 0.230346 11.893879\nSr Te O\n6 6 18\ndirect\n0.972017 0.471147 0.112146 Sr\n0.487307 0.762571 0.572221 Sr\n0.452579 0.784598 0.032555 Sr\n0.531916 0.089715 0.220910 Sr\n0.000287 0.748554 0.290222 Sr\n-0.015775 0.779136 0.778509 Sr\n0.019045 0.040817 0.415901 Te\n0.519485 0.097650 0.669240 Te\n0.967026 0.031903 -0.013088 Te\n0.439050 0.425637 0.895493 Te\n0.012493 0.409231 0.638484 Te\n0.480749 0.465233 0.347438 Te\n0.265094 0.569551 0.944343 O\n0.712671 0.559072 0.229581 O\n0.151808 0.577330 0.690360 O\n0.002784 0.815236 0.977002 O\n0.138989 0.490542 0.480906 O\n-0.052106 0.179279 0.250585 O\n0.633594 0.359641 0.036338 O\n0.259193 0.583917 0.227416 O\n0.247301 0.911453 0.386425 O\n0.785059 0.870915 0.414323 O\n0.227471 0.997828 0.093480 O\n0.742566 -0.013543 0.618864 O\n0.596507 -0.001864 0.839127 O\n0.642209 0.586481 0.785349 O\n0.292181 0.941035 0.654599 O\n0.425575 0.244906 0.351127 O\n0.748880 0.944300 0.111418 O\n0.179857 0.217836 0.733130 O\n",
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{
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"created_at": "2022-09-04T14:35:56.019558Z",
"updated_at": "2022-09-04T14:35:56.019576Z",
"structure_string": "Ba2 Ca2 C4 O12\n1.0\n5.290947 0.000000 0.000000\n0.000000 6.301595 -1.853417\n0.000000 -0.059314 8.060310\nBa Ca C O\n2 2 4 12\ndirect\n0.224699 0.290841 0.150749 Ba\n0.724699 0.709159 0.849250 Ba\n0.724693 0.804544 0.376824 Ca\n0.224693 0.195456 0.623175 Ca\n0.224678 0.746289 0.612878 C\n0.224722 0.752395 0.100400 C\n0.724722 0.247605 0.899600 C\n0.724678 0.253711 0.387121 C\n0.435436 0.848584 0.606344 O\n0.513917 0.151414 0.393638 O\n0.013917 0.848586 0.606361 O\n0.224716 0.859391 0.989075 O\n0.436825 0.692287 0.153716 O\n0.936825 0.307713 0.846283 O\n0.012633 0.692317 0.153752 O\n0.512633 0.307683 0.846247 O\n0.724683 0.440178 0.368349 O\n0.224683 0.559822 0.631651 O\n0.935436 0.151416 0.393655 O\n0.724716 0.140609 0.010925 O\n",
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{
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"structure_string": "Re12 S16 Cl4\n1.0\n6.431441 0.028690 0.000000\n-1.764533 9.706998 0.000000\n0.000000 0.000000 11.481762\nRe S Cl\n12 16 4\ndirect\n0.753105 0.067599 0.022259 Re\n0.746895 0.432401 0.522259 Re\n0.253105 0.567599 0.477741 Re\n0.875293 0.833572 0.066035 Re\n0.624708 0.666428 0.566035 Re\n0.592534 0.561847 0.352342 Re\n0.092534 0.061847 0.147658 Re\n0.375292 0.333572 0.433965 Re\n0.124708 0.166428 0.933965 Re\n0.407466 0.438153 0.647658 Re\n0.246896 0.932401 0.977741 Re\n0.907466 0.938153 0.852342 Re\n0.756769 0.529934 0.715948 S\n0.256769 0.029933 0.784052 S\n0.072599 0.334410 0.560536 S\n0.572599 0.834410 0.939463 S\n0.801610 0.161360 0.827204 S\n0.427401 0.165590 0.060537 S\n0.469356 0.773836 0.405998 S\n0.743232 0.970067 0.215948 S\n0.030645 0.726164 0.905998 S\n0.243232 0.470067 0.284052 S\n0.969356 0.273836 0.094002 S\n0.301610 0.661360 0.672795 S\n0.927401 0.665590 0.439463 S\n0.530644 0.226164 0.594002 S\n0.198391 0.838640 0.172795 S\n0.698390 0.338640 0.327205 S\n0.792243 0.892296 0.645686 Cl\n0.707758 0.607704 0.145686 Cl\n0.292243 0.392296 0.854314 Cl\n0.207757 0.107704 0.354314 Cl\n",
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{
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"created_at": "2022-09-04T14:35:53.439341Z",
"updated_at": "2022-09-04T14:35:53.439369Z",
"structure_string": "P10 Br20 N10\n1.0\n8.605465 0.058442 -3.605376\n-1.505949 10.047604 -2.006667\n-0.024956 -0.021976 11.820495\nP Br N\n10 20 10\ndirect\n0.614556 0.314538 0.407573 P\n0.354143 0.521231 0.754698 P\n0.166769 0.706593 0.831932 P\n0.833230 0.293406 0.168067 P\n0.385443 0.685461 0.592426 P\n0.691167 0.040241 0.336665 P\n0.192837 0.995139 0.861049 P\n0.308832 0.959758 0.663334 P\n0.807162 0.004860 0.138950 P\n0.645856 0.478768 0.245301 P\n0.039417 0.947206 0.152940 Br\n0.537568 0.094952 0.745131 Br\n0.410780 0.520499 0.126676 Br\n0.973163 0.384760 0.079303 Br\n0.007709 0.330977 0.369953 Br\n0.635102 0.852997 0.978854 Br\n0.806939 0.008170 0.528428 Br\n0.364897 0.147002 0.021145 Br\n0.363048 0.278233 0.372385 Br\n0.262209 0.645692 0.384349 Br\n0.200824 0.328759 0.701679 Br\n0.193060 0.991829 0.471571 Br\n0.737790 0.354307 0.615650 Br\n0.462430 0.905047 0.254868 Br\n0.799175 0.671240 0.298320 Br\n0.636951 0.721766 0.627614 Br\n0.589219 0.479499 0.873324 Br\n0.960582 0.052793 0.847059 Br\n0.026835 0.615239 0.920696 Br\n0.992290 0.669022 0.630046 Br\n0.337965 0.810949 0.662367 N\n0.201469 0.011827 0.733499 N\n0.350731 0.549874 0.626998 N\n0.313186 0.630827 0.847240 N\n0.786200 0.141613 0.098211 N\n0.213798 0.858386 0.901789 N\n0.649267 0.450125 0.373001 N\n0.662033 0.189050 0.337632 N\n0.798530 0.988172 0.266500 N\n0.686813 0.369172 0.152759 N\n",
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{
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"created_at": "2022-09-04T14:35:51.231297Z",
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"structure_string": "Ni4 Bi4 O12\n1.0\n5.371015 -0.079683 0.009254\n0.082226 5.553977 0.104801\n-0.015181 -0.143323 7.604876\nNi Bi O\n4 4 12\ndirect\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.000001 0.500001 0.500000 Ni\n0.991078 0.056594 0.750006 Bi\n0.491076 0.443409 0.250011 Bi\n0.508925 0.556593 0.749989 Bi\n0.008924 0.943408 0.249994 Bi\n0.417618 0.977394 0.749998 O\n0.582384 0.022608 0.250002 O\n0.702645 0.294009 0.539354 O\n0.202646 0.205993 0.039352 O\n0.797356 0.794009 0.960648 O\n0.702665 0.293999 0.960632 O\n0.297337 0.706002 0.039367 O\n0.797339 0.794002 0.539371 O\n0.202663 0.206000 0.460629 O\n0.297356 0.705993 0.460646 O\n0.082383 0.477394 0.750001 O\n0.917619 0.522608 0.249999 O\n",
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{
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"structure_string": "Ba4 Al4 H20\n1.0\n9.207352 0.000000 0.000000\n0.000000 7.042981 0.000000\n0.000000 0.000000 5.094183\nBa Al H\n4 4 20\ndirect\n0.186008 0.345454 0.253997 Ba\n0.813991 0.654545 0.753997 Ba\n0.313991 0.845454 0.753997 Ba\n0.686008 0.154545 0.253997 Ba\n0.540951 0.654210 0.228981 Al\n0.459049 0.345790 0.728981 Al\n0.959048 0.154210 0.728981 Al\n0.040951 0.845790 0.228981 Al\n0.578307 0.788084 0.501913 H\n0.859346 0.803876 0.234459 H\n0.140654 0.196124 0.734459 H\n0.793695 0.043971 0.714497 H\n0.359346 0.696124 0.234459 H\n0.206305 0.956029 0.214497 H\n0.421693 0.211915 0.001913 H\n0.640654 0.303876 0.734459 H\n0.921693 0.288084 0.001913 H\n0.916271 0.343605 0.523827 H\n0.583729 0.843605 0.023828 H\n0.416271 0.156395 0.523827 H\n0.293695 0.456029 0.714497 H\n0.083729 0.656395 0.023828 H\n0.007157 0.948692 0.909324 H\n0.992843 0.051307 0.409324 H\n0.492843 0.448692 0.409324 H\n0.507157 0.551307 0.909324 H\n0.078307 0.711915 0.501913 H\n0.706305 0.543971 0.214497 H\n",
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"created_at": "2022-09-04T14:35:45.597351Z",
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"structure_string": "Ag2 Sb2 C12 N8 O4 F12\n1.0\n7.638114 -0.001538 0.117099\n1.113803 7.556469 0.117099\n0.133673 0.115391 10.402538\nAg Sb C N O F\n2 2 12 8 4 12\ndirect\n0.720662 0.279337 0.250000 Ag\n0.279336 0.720663 0.750000 Ag\n0.305708 0.694291 0.250000 Sb\n0.694290 0.305709 0.750000 Sb\n0.219433 0.054745 0.955198 C\n0.796477 0.626008 0.059669 C\n0.054745 0.219434 0.455198 C\n0.373991 0.203522 0.440331 C\n0.220583 0.183460 0.523366 C\n0.626007 0.796478 0.559669 C\n0.945254 0.780566 0.544802 C\n0.779416 0.816540 0.476635 C\n0.183459 0.220583 0.023365 C\n0.203521 0.373992 0.940331 C\n0.816539 0.779417 0.976635 C\n0.780565 0.945254 0.044802 C\n0.510168 0.778980 0.630698 N\n0.778980 0.510169 0.130697 N\n0.242397 0.923650 0.900130 N\n0.076350 0.757602 0.599870 N\n0.923649 0.242397 0.400130 N\n0.489830 0.221020 0.369303 N\n0.221019 0.489831 0.869303 N\n0.757602 0.076350 0.099870 N\n0.771161 0.861254 0.363605 O\n0.861253 0.771162 0.863605 O\n0.228838 0.138746 0.636396 O\n0.138746 0.228838 0.136396 O\n0.446342 0.837633 0.147309 F\n0.617501 0.503054 0.858680 F\n0.837632 0.446343 0.647309 F\n0.162366 0.553657 0.352691 F\n0.503053 0.617502 0.358680 F\n0.382497 0.496946 0.141320 F\n0.766600 0.106063 0.641681 F\n0.233399 0.893937 0.358319 F\n0.893936 0.233399 0.858319 F\n0.106063 0.766601 0.141681 F\n0.496945 0.382498 0.641320 F\n0.553656 0.162366 0.852691 F\n",
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