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{
"id": "jvasp-113074",
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{
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"structure_string": "Na2 Pr2 Ti2 Nb2 O12 F2\n1.0\n6.494643 -0.006421 -3.440972\n-2.139479 5.920342 -3.793797\n-0.001198 0.006421 7.349876\nNa Pr Ti Nb O F\n2 2 2 2 12 2\ndirect\n-0.000000 -0.000000 0.500000 Na\n-0.000000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.499999 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.183601 0.418435 0.355523 O\n0.562911 0.828076 0.144476 O\n0.183600 0.828076 0.765165 O\n0.562911 0.418435 0.734834 O\n0.181819 0.431819 0.750000 O\n0.577573 0.827573 0.750000 O\n0.437088 0.581565 0.265166 O\n0.437087 0.171923 0.855523 O\n0.816399 0.171923 0.234834 O\n0.818180 0.568180 0.250000 O\n0.422426 0.172426 0.250000 O\n0.816398 0.581565 0.644477 O\n0.118533 0.868533 0.249999 F\n0.881466 0.131467 0.750000 F\n",
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{
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"structure_string": "Nd4 Si4 Pb2 S16\n1.0\n8.121968 -0.060235 3.734761\n3.091138 7.510983 3.734761\n-0.041470 -0.027556 10.165764\nNd Si Pb S\n4 4 2 16\ndirect\n0.060640 0.254122 0.750497 Nd\n0.441588 0.560706 0.754803 Nd\n0.254123 0.060639 0.250497 Nd\n0.560707 0.441587 0.254803 Nd\n0.646231 0.176557 0.020238 Si\n0.176558 0.646230 0.520238 Si\n0.325961 0.851345 0.980433 Si\n0.851347 0.325959 0.480433 Si\n0.913103 0.753797 0.241043 Pb\n0.753799 0.913101 0.741043 Pb\n0.099098 0.569414 0.761360 S\n0.569415 0.099097 0.261360 S\n0.796007 0.532704 0.569561 S\n0.072541 0.103305 0.548663 S\n0.615220 0.272677 0.566492 S\n0.532705 0.796005 0.069561 S\n0.272678 0.615219 0.066492 S\n0.423625 0.236281 0.952756 S\n0.236282 0.423624 0.452756 S\n0.983689 0.877448 0.420220 S\n0.408450 0.709326 0.444205 S\n0.397241 0.918920 0.739726 S\n0.709328 0.408449 0.944205 S\n0.877451 0.983687 0.920220 S\n0.103306 0.072541 0.048664 S\n0.918922 0.397239 0.239726 S\n",
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{
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"structure_string": "Mg2 Mo2 F10\n1.0\n5.026263 0.091902 -1.927761\n-2.015747 4.942476 -0.704778\n-0.112508 -0.038466 7.649214\nMg Mo F\n2 2 10\ndirect\n0.271838 0.521839 0.749999 Mg\n0.728160 0.478161 0.250000 Mg\n0.000000 0.000000 0.000000 Mo\n0.499999 -0.000001 0.500000 Mo\n0.391194 0.141195 0.250000 F\n0.608804 0.858805 0.749999 F\n0.563670 0.696756 0.355077 F\n0.841677 0.208593 0.144922 F\n0.759181 0.668488 0.049348 F\n0.119139 0.709834 0.450651 F\n0.240818 0.331512 0.950651 F\n0.880859 0.290166 0.549348 F\n0.158321 0.791407 0.855076 F\n0.436329 0.303243 0.644922 F\n",
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{
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"created_at": "2022-09-04T14:38:45.811478Z",
"updated_at": "2022-09-04T14:38:45.811514Z",
"structure_string": "Nb2 Sb6 O16\n1.0\n5.567306 0.000000 0.000000\n-0.000000 4.558798 1.876229\n-0.000000 -0.010593 12.853218\nNb Sb O\n2 6 16\ndirect\n0.626914 0.073694 0.424468 Nb\n0.373087 0.073695 0.924468 Nb\n0.875019 0.560854 0.930506 Sb\n0.124982 0.560853 0.430506 Sb\n0.223680 0.363462 0.178715 Sb\n0.284597 0.790716 0.675316 Sb\n0.776321 0.363462 0.678715 Sb\n0.715404 0.790716 0.175316 Sb\n0.330062 0.207314 0.491499 O\n0.171168 0.315883 0.987211 O\n0.599115 0.828014 0.876492 O\n0.904716 0.911540 0.380850 O\n0.400885 0.828014 0.376492 O\n0.095284 0.911540 0.880850 O\n0.434026 0.387524 0.776433 O\n0.397266 0.748635 0.087717 O\n0.565974 0.387524 0.276433 O\n0.933469 0.564450 0.775278 O\n0.828833 0.315883 0.487211 O\n0.105084 0.573922 0.589515 O\n0.602734 0.748635 0.587717 O\n0.894917 0.573922 0.089515 O\n0.066531 0.564450 0.275278 O\n0.669939 0.207314 0.991499 O\n",
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{
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"structure_string": "Ni4 Ge4 Mo4\n1.0\n4.821383 0.000971 0.000000\n-2.166259 4.307326 0.000000\n0.000000 -0.000000 7.822563\nNi Ge Mo\n4 4 4\ndirect\n0.857995 0.142004 -0.000000 Ni\n0.175376 0.364339 0.500000 Ni\n0.635661 0.824624 0.500000 Ni\n0.164161 0.835839 0.500000 Ni\n0.980767 0.019232 0.276525 Ge\n0.980767 0.019232 0.723475 Ge\n0.847461 0.636520 -0.000000 Ge\n0.363480 0.152538 -0.000000 Ge\n0.341478 0.658522 0.191355 Mo\n0.655498 0.344502 0.320981 Mo\n0.655498 0.344502 0.679019 Mo\n0.341478 0.658522 0.808645 Mo\n",
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{
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"created_at": "2022-09-04T14:38:46.492394Z",
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"structure_string": "Pr4 U2 Te10\n1.0\n9.889750 0.018745 0.128928\n7.901108 5.948109 0.128928\n-0.017073 -0.005726 8.953247\nPr U Te\n4 2 10\ndirect\n0.249575 0.252360 0.267761 Pr\n0.580707 0.595717 0.259545 Pr\n0.747641 0.750424 0.732240 Pr\n0.404284 0.419293 0.740455 Pr\n0.933521 0.901745 0.262581 U\n0.098255 0.066480 0.737420 U\n0.244630 0.247761 0.636491 Te\n0.913948 0.921960 0.628933 Te\n0.592557 0.573123 0.636101 Te\n0.752239 0.755370 0.363510 Te\n0.426877 0.407444 0.363900 Te\n0.078039 0.086053 0.371068 Te\n0.420030 0.944746 0.997511 Te\n0.055254 0.579971 0.002490 Te\n0.753090 0.246910 0.000000 Te\n0.249374 0.750626 0.000000 Te\n",
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"structure_string": "Pr6 Mg1 Ge2 S14\n1.0\n10.282873 0.000000 0.000000\n-5.141436 8.905229 0.000000\n-0.000000 -0.000000 5.808784\nPr Mg Ge S\n6 1 2 14\ndirect\n0.230275 0.357765 0.241938 Pr\n0.127490 0.769725 0.241938 Pr\n0.642234 0.872510 0.241938 Pr\n0.770955 0.642678 0.750492 Pr\n0.871722 0.229044 0.750492 Pr\n0.357322 0.128278 0.750492 Pr\n0.000000 0.000000 0.481252 Mg\n0.333333 0.666667 0.822349 Ge\n0.666666 0.333333 0.332369 Ge\n0.583731 0.103493 0.484019 S\n0.104063 0.519397 0.977062 S\n0.480603 0.584666 0.977062 S\n0.415334 0.895936 0.977062 S\n0.666666 0.333333 0.953558 S\n0.333333 0.666667 0.444498 S\n0.839872 0.752314 0.240593 S\n0.752333 0.910028 0.718781 S\n0.089972 0.842306 0.718781 S\n0.519761 0.416268 0.484019 S\n0.247686 0.087560 0.240593 S\n0.912440 0.160127 0.240593 S\n0.157694 0.247666 0.718781 S\n0.896506 0.480239 0.484019 S\n",
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{
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"structure_string": "Pr5 S8\n1.0\n7.267070 -0.000000 4.195645\n2.422357 6.851459 4.195645\n-0.000000 -0.000000 8.391289\nPr S\n5 8\ndirect\n0.613014 0.128996 0.128995 Pr\n0.128996 0.613014 0.128995 Pr\n0.128996 0.128996 0.613013 Pr\n0.128996 0.128996 0.128995 Pr\n0.750000 0.750000 0.749999 Pr\n0.349329 0.883557 0.883556 S\n0.883557 0.349329 0.883556 S\n0.883558 0.883557 0.349327 S\n0.883558 0.883557 0.883556 S\n0.903179 0.365607 0.365606 S\n0.365607 0.903179 0.365606 S\n0.365607 0.365607 0.903179 S\n0.365607 0.365607 0.365607 S\n",
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{
"id": "jvasp-113063",
"created_at": "2022-09-04T14:38:44.423854Z",
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"structure_string": "Rb2 Al2 Si6 O16\n1.0\n7.741951 -0.049935 1.952633\n-3.639965 6.833078 1.952633\n0.021079 0.034856 7.200275\nRb Al Si O\n2 2 6 16\ndirect\n0.286071 0.297962 0.855782 Rb\n0.702038 0.713929 0.144216 Rb\n0.596503 0.834180 0.659533 Al\n0.165820 0.403497 0.340465 Al\n0.800305 0.178731 0.224552 Si\n0.196872 0.811883 0.780146 Si\n0.188117 0.803128 0.219853 Si\n0.400199 0.160070 0.341978 Si\n0.839929 0.599801 0.658020 Si\n0.821269 0.199695 0.775447 Si\n0.968451 0.705885 0.405529 O\n0.337795 0.713977 0.748267 O\n0.738212 0.360015 0.733351 O\n0.353089 0.339604 0.279243 O\n0.660396 0.646911 0.720756 O\n0.706808 0.957582 0.391401 O\n0.294115 0.031548 0.594470 O\n0.326459 0.019179 0.215768 O\n0.152168 0.847832 -0.000000 O\n0.842345 0.157654 -0.000000 O\n0.007576 0.333790 0.213792 O\n0.286023 0.662205 0.251732 O\n0.980820 0.673541 0.784231 O\n0.666210 -0.007576 0.786207 O\n0.042418 0.293191 0.608597 O\n0.639985 0.261788 0.266648 O\n",
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{
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"structure_string": "Rb2 Co2 Ni2 F12\n1.0\n6.132339 0.022148 -3.502013\n-2.014935 5.782891 -3.516871\n-0.064440 -0.022148 7.061552\nRb Co Ni F\n2 2 2 12\ndirect\n0.377615 0.627614 0.750000 Rb\n0.622386 0.372386 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.500000 Co\n-0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.085180 0.934438 0.769303 F\n0.665136 0.315876 0.730697 F\n0.085707 0.335706 0.750000 F\n0.685393 0.935392 0.750000 F\n0.914821 0.684123 0.849259 F\n0.334865 0.684123 0.269303 F\n0.914821 0.065562 0.230698 F\n0.665136 0.934438 0.349259 F\n0.914294 0.664294 0.250001 F\n0.314608 0.064608 0.250000 F\n0.334865 0.065562 0.650741 F\n0.085179 0.315876 0.150741 F\n",
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]
}