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{
"id": "jvasp-112192",
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"structure_string": "H16 Pb2 C12 O8\n1.0\n4.177594 -0.006561 -0.646738\n-0.536071 7.620613 -0.907912\n-0.186629 0.055463 10.859189\nH Pb C O\n16 2 12 8\ndirect\n0.238114 0.833347 0.680568 H\n0.579802 0.132656 0.284461 H\n0.545926 0.631142 0.302259 H\n0.526361 0.348949 0.339924 H\n0.533794 0.858980 0.337149 H\n0.098023 0.883333 0.455448 H\n0.135648 0.156289 0.413352 H\n0.131861 0.657802 0.411628 H\n0.107387 0.381608 0.459014 H\n0.652183 0.806704 0.571203 H\n0.676678 0.082884 0.523828 H\n0.685998 0.581172 0.527374 H\n0.257718 0.115525 0.642910 H\n0.250246 0.605511 0.645657 H\n0.204308 0.331821 0.698372 H\n0.648448 0.308205 0.569497 H\n0.149884 0.489056 0.015275 Pb\n0.634025 0.975463 0.967563 Pb\n0.711514 0.260852 0.317838 C\n0.833216 0.330007 0.208420 C\n0.809042 0.787740 0.198156 C\n0.966431 0.254263 0.434985 C\n0.961680 0.754468 0.433944 C\n0.695847 0.754880 0.319062 C\n0.975022 0.676721 0.784661 C\n0.822351 0.710034 0.548879 C\n0.072578 0.203628 0.665001 C\n0.088194 0.709607 0.663757 C\n0.950903 0.134489 0.774430 C\n0.817648 0.210225 0.547858 C\n0.675286 0.687343 0.094802 O\n0.774474 0.550900 0.787887 O\n0.696454 0.032523 0.754026 O\n0.108771 0.777106 0.888018 O\n0.115539 0.173531 0.887314 O\n0.009624 0.913542 0.194925 O\n0.087642 0.431995 0.228840 O\n0.668626 0.290967 0.095528 O\n",
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{
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"created_at": "2022-09-04T14:36:13.701739Z",
"updated_at": "2022-09-04T14:36:13.701772Z",
"structure_string": "Na4 Sr2 P8 O24\n1.0\n5.000683 0.000000 0.000000\n-0.000000 9.889241 -0.000000\n-0.000000 0.000000 9.889241\nNa Sr P O\n4 2 8 24\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.250000 0.250000 Sr\n0.500000 0.750000 0.750000 Sr\n0.000000 0.963214 0.250000 P\n0.000000 0.463214 0.750000 P\n0.000000 0.750000 0.463214 P\n0.000000 0.750000 0.036786 P\n0.000000 0.036786 0.750000 P\n0.000000 0.250000 0.536786 P\n0.000000 0.536786 0.250000 P\n0.000000 0.250000 0.963214 P\n0.771563 0.312878 0.037449 O\n0.771563 0.037449 0.187122 O\n0.771563 0.462551 0.312878 O\n0.771563 0.812878 0.962551 O\n0.228437 0.687122 0.962551 O\n0.771563 0.962551 0.687122 O\n0.771563 0.687122 0.537448 O\n0.228437 0.812878 0.537448 O\n0.771563 0.187122 0.462551 O\n0.771563 0.537448 0.812878 O\n0.228437 0.312878 0.462551 O\n0.867101 0.640115 0.140115 O\n0.228437 0.462551 0.187122 O\n0.228437 0.187122 0.037449 O\n0.867101 0.140115 0.859885 O\n0.867101 0.359885 0.640115 O\n0.867101 0.859885 0.359885 O\n0.228437 0.962551 0.812878 O\n0.132899 0.859885 0.140115 O\n0.132899 0.359885 0.859885 O\n0.132899 0.140115 0.640115 O\n0.132899 0.640115 0.359885 O\n0.228437 0.037449 0.312878 O\n0.228437 0.537448 0.687122 O\n",
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{
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"updated_at": "2022-09-04T14:36:17.443295Z",
"structure_string": "Na6 Sr2 B10 O20\n1.0\n6.888213 -0.004204 2.430911\n3.407674 6.655151 1.206709\n0.042941 0.058616 9.731463\nNa Sr B O\n6 2 10 20\ndirect\n0.277466 0.017242 0.114304 Na\n0.722532 0.982760 0.885696 Na\n0.849686 0.505133 0.163661 Na\n0.150312 0.494869 0.836339 Na\n0.206024 0.281175 0.446516 Na\n0.793974 0.718826 0.553484 Na\n0.210452 0.948447 0.773753 Sr\n0.789546 0.051554 0.226247 Sr\n0.306578 0.624921 0.285137 B\n0.841375 0.249305 0.454686 B\n0.158624 0.750696 0.545314 B\n0.859006 0.324801 0.921365 B\n0.140993 0.675200 0.078635 B\n0.506721 0.228501 0.622907 B\n0.493278 0.771500 0.377093 B\n0.608923 0.668812 0.864076 B\n0.391075 0.331189 0.135923 B\n0.693421 0.375080 0.714863 B\n0.825579 0.250429 0.814962 O\n0.174420 0.749572 0.185038 O\n0.159289 0.650420 0.436671 O\n0.982521 0.220163 0.320697 O\n0.017478 0.779838 0.679303 O\n0.763089 0.535180 0.936234 O\n0.491091 0.862512 0.894080 O\n0.508908 0.137489 0.105920 O\n0.681366 0.178331 0.490060 O\n0.318632 0.821670 0.509940 O\n0.526847 0.312002 0.730932 O\n0.586086 0.590280 0.753194 O\n0.413912 0.409721 0.246806 O\n0.840709 0.349581 0.563328 O\n0.667698 0.798412 0.357943 O\n0.987505 0.206320 0.002826 O\n0.012493 0.793681 0.997174 O\n0.332300 0.201589 0.642057 O\n0.236909 0.464821 0.063765 O\n0.473151 0.687999 0.269068 O\n",
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{
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"structure_string": "Na4 Sr2 V8 O24\n1.0\n10.636181 0.000000 0.000000\n0.000000 10.636181 0.000000\n0.000000 -0.000000 4.979301\nNa Sr V O\n4 2 8 24\ndirect\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.750000 0.750000 0.500000 Na\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.216587 0.000000 V\n0.716587 0.000000 0.000000 V\n0.283413 0.000000 0.000000 V\n0.000000 0.716587 0.000000 V\n0.783413 0.500000 0.000000 V\n0.500000 0.783413 0.000000 V\n0.216587 0.500000 0.000000 V\n0.000000 0.283413 0.000000 V\n0.696350 0.569766 0.236306 O\n0.117193 0.382807 0.840668 O\n0.882807 0.617193 0.840668 O\n0.617193 0.117193 0.840668 O\n0.382807 0.882807 0.840668 O\n0.382807 0.117193 0.159332 O\n0.117193 0.617193 0.159332 O\n0.882807 0.382807 0.159332 O\n0.617193 0.882807 0.159332 O\n0.569766 0.303650 0.236306 O\n0.696350 0.430233 0.763694 O\n0.803650 0.930233 0.763694 O\n0.430233 0.303650 0.763694 O\n0.569766 0.696350 0.763694 O\n0.196350 0.069766 0.763694 O\n0.069766 0.803650 0.763694 O\n0.930233 0.196350 0.763694 O\n0.303650 0.430233 0.236306 O\n0.803650 0.069766 0.236306 O\n0.196350 0.930233 0.236306 O\n0.069766 0.196350 0.236306 O\n0.930233 0.803650 0.236306 O\n0.303650 0.569766 0.763694 O\n0.430233 0.696350 0.236306 O\n",
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{
"id": "jvasp-29310",
"created_at": "2022-09-04T14:38:01.799865Z",
"updated_at": "2022-09-04T14:38:01.799891Z",
"structure_string": "Ce2 P6 H16 O14\n1.0\n7.074609 0.022088 -0.989754\n-2.449452 6.984078 -2.724684\n0.012596 0.081718 8.776429\nCe P H O\n2 6 16 14\ndirect\n0.346347 0.185831 0.128651 Ce\n0.653654 0.814170 0.871350 Ce\n0.850618 0.189939 0.274139 P\n0.149383 0.810062 0.725862 P\n0.033168 0.787061 0.205811 P\n0.966834 0.212940 0.794190 P\n0.466009 0.309818 0.591820 P\n0.533992 0.690183 0.408182 P\n0.848115 0.146159 0.418045 H\n0.151886 0.853842 0.581957 H\n0.047643 0.621988 0.231585 H\n0.952358 0.378013 0.768417 H\n0.044728 0.917264 0.367893 H\n0.955273 0.082737 0.632109 H\n0.727344 0.669443 0.414317 H\n0.553025 0.856288 0.372965 H\n0.272658 0.330558 0.585684 H\n0.135582 0.615281 0.668385 H\n0.685014 0.287880 0.967498 H\n0.314987 0.712121 0.032504 H\n0.446976 0.143713 0.627037 H\n0.864419 0.384720 0.331616 H\n0.327960 0.500820 0.949382 H\n0.672041 0.499181 0.050620 H\n0.627326 0.368827 0.049478 O\n0.495134 0.729792 0.581206 O\n0.381798 0.521832 0.263419 O\n0.618203 0.478169 0.736583 O\n0.172368 0.262742 0.906072 O\n0.827633 0.737259 0.093929 O\n0.782692 0.133514 0.849900 O\n0.217310 0.866487 0.150101 O\n0.347655 0.931937 0.855406 O\n0.652346 0.068064 0.144596 O\n0.964877 0.835826 0.785490 O\n0.035124 0.164175 0.214512 O\n0.372676 0.631174 0.950524 O\n0.504868 0.270209 0.418796 O\n",
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{
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"structure_string": "Ti6 Al2 F30\n1.0\n9.353043 0.164456 0.000000\n-1.461123 5.743841 0.000000\n0.000000 0.000000 9.775560\nTi Al F\n6 2 30\ndirect\n0.166667 0.000000 0.500000 Ti\n0.498239 0.969261 0.444544 Ti\n0.835094 0.030740 0.555456 Ti\n0.166667 0.000000 0.000000 Ti\n0.498239 0.969261 0.055456 Ti\n0.835094 0.030740 0.944544 Ti\n0.894062 0.444176 0.250000 Al\n0.439271 0.555824 0.750000 Al\n0.526589 0.251185 0.120004 F\n0.870339 0.274229 0.098302 F\n0.214081 0.245723 0.387148 F\n0.526589 0.251185 0.379996 F\n0.870339 0.274229 0.401698 F\n0.119253 0.754277 0.612852 F\n0.364220 0.093378 0.918694 F\n0.806744 0.748815 0.620004 F\n0.041196 0.164665 0.896121 F\n0.214081 0.245723 0.112852 F\n0.650168 0.122887 0.915466 F\n0.292138 0.835336 0.103879 F\n0.462994 0.725772 0.598302 F\n0.806744 0.748815 0.879996 F\n0.683165 0.877114 0.415466 F\n0.119253 0.754277 0.887148 F\n0.969113 0.906623 0.418694 F\n0.683165 0.877114 0.084534 F\n0.292138 0.835336 0.396121 F\n0.650168 0.122887 0.584534 F\n0.364220 0.093378 0.581306 F\n0.041196 0.164665 0.603879 F\n0.834792 0.133161 0.750000 F\n0.581546 0.433093 0.750000 F\n0.266545 0.401709 0.750000 F\n0.751788 0.566908 0.250000 F\n0.498541 0.866840 0.250000 F\n0.066789 0.598291 0.250000 F\n0.462994 0.725772 0.901698 F\n0.969113 0.906623 0.081306 F\n",
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{
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"structure_string": "Ba5 Sm8 Mn4 O21\n1.0\n5.517835 -0.000000 1.615078\n2.758918 9.839567 0.807538\n-0.005164 -0.000000 10.250893\nBa Sm Mn O\n5 8 4 21\ndirect\n0.862910 0.675821 0.598361 Ba\n0.461272 0.401639 0.675821 Ba\n0.137092 0.324179 0.401639 Ba\n0.538732 0.598361 0.324179 Ba\n0.000000 0.000000 0.000000 Ba\n0.589912 0.055220 0.764959 Sm\n0.249575 0.914944 0.585911 Sm\n0.645131 0.764960 0.944780 Sm\n0.410091 0.944781 0.235041 Sm\n0.750427 0.085057 0.414089 Sm\n0.164517 0.585910 0.085057 Sm\n0.354870 0.235041 0.055220 Sm\n0.835485 0.414089 0.914943 Sm\n0.041521 0.199159 0.717800 Mn\n0.759322 0.282199 0.199159 Mn\n0.240680 0.717801 0.800842 Mn\n0.958481 0.800841 0.282199 Mn\n0.968992 0.396821 0.665200 O\n0.031010 0.603179 0.334800 O\n0.093137 0.875351 0.407524 O\n0.365813 0.665200 0.603179 O\n0.500662 0.592477 0.875351 O\n0.968489 0.407524 0.124650 O\n0.376014 0.124649 0.592477 O\n0.906864 0.124649 0.592476 O\n0.499339 0.407524 0.124649 O\n0.031513 0.592477 0.875350 O\n0.623990 0.875351 0.407523 O\n0.936486 0.861373 0.772859 O\n0.709345 0.227141 0.861373 O\n0.797859 0.772860 0.138627 O\n0.570717 0.138627 0.227141 O\n0.063517 0.138627 0.227141 O\n0.290658 0.772860 0.138627 O\n0.202144 0.227141 0.861373 O\n0.429285 0.861373 0.772859 O\n0.500001 0.000000 0.000000 O\n0.634190 0.334801 0.396821 O\n",
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{
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"structure_string": "Ba4 Re12 S22\n1.0\n8.530668 0.004029 8.498063\n3.532137 7.765071 8.498063\n0.006255 0.004029 12.041152\nBa Re S\n4 12 22\ndirect\n0.811954 0.811953 0.811951 Ba\n0.688048 0.688047 0.688046 Ba\n0.188048 0.188047 0.188047 Ba\n0.311953 0.311953 0.311952 Ba\n0.381292 0.708585 0.511529 Re\n0.791415 0.118709 0.988469 Re\n0.618709 0.291415 0.488470 Re\n0.118710 0.988470 0.791414 Re\n0.488471 0.618709 0.291414 Re\n0.011530 0.208585 0.881290 Re\n0.208586 0.881291 0.011529 Re\n0.881291 0.011530 0.208585 Re\n0.988471 0.791415 0.118708 Re\n0.511530 0.381291 0.708584 Re\n0.291415 0.488470 0.618708 Re\n0.708586 0.511530 0.381290 Re\n0.187384 0.793819 0.427978 S\n0.793819 0.427979 0.187382 S\n0.427980 0.187383 0.793818 S\n0.590904 0.590904 0.590903 S\n0.706182 0.312617 0.072020 S\n0.909097 0.909096 0.909095 S\n0.409097 0.409096 0.409096 S\n0.090904 0.090904 0.090904 S\n0.484295 0.750000 0.015705 S\n0.750000 0.015706 0.484294 S\n0.015706 0.484294 0.749999 S\n0.515706 0.250000 0.984293 S\n0.250001 0.984294 0.515705 S\n0.984295 0.515706 0.249999 S\n0.206182 0.572021 0.812616 S\n0.572022 0.812617 0.206181 S\n0.812618 0.206181 0.572020 S\n0.687384 0.927979 0.293818 S\n0.927980 0.293819 0.687382 S\n0.293820 0.687383 0.927978 S\n0.072021 0.706181 0.312617 S\n0.312618 0.072021 0.706181 S\n",
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{
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{
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{
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