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{
"id": "jvasp-107627",
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"structure_string": "K2 Rb1 Nd1 F6\n1.0\n5.973235 -0.000000 3.448649\n1.991078 5.631620 3.448649\n-0.000000 -0.000000 6.897297\nK Rb Nd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.767777 0.232223 0.232223 F\n0.232222 0.232223 0.767778 F\n0.232223 0.767777 0.767778 F\n0.232223 0.767777 0.232223 F\n0.767777 0.232223 0.767778 F\n0.767777 0.767777 0.232223 F\n",
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"structure_string": "Si1\n1.0\n0.000000 -0.000000 2.655127\n-1.705342 1.705342 1.327564\n-1.705342 -1.705342 1.327564\nSi\n1\ndirect\n0.500000 0.000000 0.499999 Si\n",
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"structure_string": "Mg6 P4 O16\n1.0\n0.000000 5.918580 0.031073\n4.765563 0.000000 0.000000\n0.000000 -0.112217 -10.248971\nMg P O\n6 4 16\ndirect\n0.761567 0.513361 0.223156 Mg\n0.238433 0.013361 0.276844 Mg\n0.761567 0.986638 0.723156 Mg\n0.500000 0.000000 0.000000 Mg\n0.238432 0.486638 0.776844 Mg\n0.500000 0.500000 0.500000 Mg\n0.254703 0.575579 0.096414 P\n0.745297 0.075580 0.403587 P\n0.254703 0.924420 0.596414 P\n0.745297 0.424420 0.903587 P\n0.744292 0.188302 0.545222 O\n0.467482 0.769189 0.661455 O\n0.467482 0.730810 0.161455 O\n0.274092 0.245375 0.603587 O\n0.532517 0.269190 0.838546 O\n0.942593 0.192153 0.323664 O\n0.744292 0.311698 0.045222 O\n0.274092 0.254624 0.103587 O\n0.057407 0.692153 0.176336 O\n0.057406 0.807846 0.676336 O\n0.532518 0.230810 0.338546 O\n0.725907 0.754624 0.396413 O\n0.255708 0.688302 0.954778 O\n0.725907 0.745375 0.896413 O\n0.942593 0.307846 0.823664 O\n0.255708 0.811698 0.454778 O\n",
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"structure_string": "Rb3 Bi1 F6\n1.0\n6.825157 -0.076407 -2.249971\n-2.500536 6.547437 -1.591114\n0.278220 -0.297276 7.175856\nRb Bi F\n3 1 6\ndirect\n-0.000000 0.500000 0.000000 Rb\n0.500000 -0.000000 0.000000 Rb\n-0.000000 -0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.057456 0.761714 0.761699 F\n0.942544 0.238286 0.238302 F\n0.761878 0.761856 0.057315 F\n0.238122 0.238144 0.942686 F\n0.761278 0.057722 0.761313 F\n0.238722 0.942278 0.238688 F\n",
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"structure_string": "C1 S2\n1.0\n4.491711 0.000000 -0.000000\n-2.245856 3.889936 0.000000\n-0.000000 0.000000 2.395729\nC S\n1 2\ndirect\n0.000000 0.000000 0.000000 C\n0.333333 0.666668 0.000000 S\n0.666666 0.333334 0.000000 S\n",
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"updated_at": "2022-09-04T14:36:58.461164Z",
"structure_string": "Li7 Nb1 O6\n1.0\n5.540555 0.002695 0.003926\n2.768010 4.799543 0.002306\n2.766139 1.600317 4.912301\nLi Nb O\n7 1 6\ndirect\n0.504982 0.875823 0.346127 Li\n0.769081 0.507354 0.652160 Li\n0.071493 0.766580 0.652174 Li\n0.347573 0.345082 0.959846 Li\n0.878327 0.270693 0.346092 Li\n0.273220 0.502507 0.346079 Li\n0.509850 0.069020 0.652184 Li\n-0.000037 0.997465 0.002710 Nb\n0.364646 0.764183 0.753997 O\n0.929723 0.617834 0.246740 O\n0.205826 0.927219 0.246725 O\n0.766688 0.114790 0.754004 O\n0.117272 0.362156 0.753999 O\n0.620347 0.203299 0.246773 O\n",
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{
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"created_at": "2022-09-04T14:35:45.899290Z",
"updated_at": "2022-09-04T14:35:45.899315Z",
"structure_string": "Bi2 S8 N6 Cl8\n1.0\n7.388614 0.089729 0.455934\n2.073790 8.429700 3.595872\n0.084904 0.063123 9.254735\nBi S N Cl\n2 8 6 8\ndirect\n0.746671 0.038721 0.880703 Bi\n0.253328 0.961279 0.119297 Bi\n0.255591 0.467048 0.085442 S\n0.529348 0.345017 0.350050 S\n0.808302 0.715090 0.456267 S\n0.744408 0.532952 0.914558 S\n-0.006970 0.372305 0.351144 S\n0.191697 0.284909 0.543733 S\n0.006970 0.627695 0.648857 S\n0.470651 0.654982 0.649950 S\n0.082376 0.435456 0.186130 N\n0.449943 0.419992 0.174479 N\n0.610259 0.698274 0.517463 N\n0.917623 0.564544 0.813870 N\n0.550056 0.580008 0.825522 N\n0.389740 0.301725 0.482537 N\n0.655347 0.950692 0.673399 Cl\n0.108965 0.882752 0.873588 Cl\n0.622878 0.781293 0.114783 Cl\n0.344651 0.049307 0.326601 Cl\n0.377121 0.218707 0.885217 Cl\n0.891034 0.117248 0.126412 Cl\n0.198972 0.691359 0.337308 Cl\n0.801027 0.308640 0.662692 Cl\n",
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{
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"created_at": "2022-09-04T14:38:43.863571Z",
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"structure_string": "K4 P1 Se3 O16\n1.0\n7.117266 0.678903 0.635323\n0.911315 7.211958 2.217903\n0.071991 -0.009931 7.373906\nK P Se O\n4 1 3 16\ndirect\n0.397245 0.685546 0.795078 K\n0.603631 0.306601 0.207297 K\n0.016437 0.241985 0.734963 K\n0.984623 0.760526 0.261672 K\n0.520925 0.206410 0.716755 P\n0.897911 0.736673 0.780835 Se\n0.098121 0.269718 0.212800 Se\n0.491547 0.784438 0.285774 Se\n0.595586 0.956865 0.165008 O\n0.411918 0.053682 0.815574 O\n-0.007271 0.137119 0.132064 O\n0.011357 0.861023 0.864423 O\n0.619684 0.634132 0.462883 O\n0.394712 0.338463 0.553279 O\n0.232504 0.391659 0.054488 O\n0.267519 0.902397 0.416000 O\n0.271557 0.092599 0.404528 O\n0.728321 0.919883 0.593595 O\n0.036743 0.613885 0.648023 O\n0.725285 0.107557 0.613039 O\n0.381927 0.683764 0.169872 O\n0.602946 0.307583 0.826514 O\n0.762829 0.616870 0.941529 O\n-0.046048 0.390623 0.344001 O\n",
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"structure_string": "Cd1 H4 C4 O4\n1.0\n3.587550 0.104707 0.637874\n0.682357 4.734295 0.625042\n0.044921 0.181196 7.451775\nCd H C O\n1 4 4 4\ndirect\n0.828083 0.449627 0.306017 Cd\n0.383756 0.019902 0.824309 H\n-0.006423 0.928601 0.763761 H\n0.734644 0.509321 0.707323 H\n0.273418 0.435295 0.773972 H\n0.441896 -0.001309 0.540570 C\n0.303030 0.883975 0.737150 C\n0.463966 0.573631 0.794054 C\n0.526321 0.507957 0.992401 C\n0.299568 0.261379 0.487422 O\n0.712468 0.863278 0.440721 O\n0.325139 0.659476 0.115001 O\n0.790045 0.306029 0.031834 O\n",
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"structure_string": "Li4 Mn2 P4 H2 O16\n1.0\n8.242590 0.000000 0.000000\n-0.000000 4.591828 1.191482\n-0.000000 0.022659 7.548485\nLi Mn P H O\n4 2 4 2 16\ndirect\n0.637517 0.137055 0.401978 Li\n0.137517 0.862946 0.598022 Li\n0.861094 0.648145 0.902311 Li\n0.361094 0.351856 0.097688 Li\n-0.001099 0.247655 0.246392 Mn\n0.498901 0.752345 0.753608 Mn\n0.855399 0.619549 0.504890 P\n0.355399 0.380452 0.495109 P\n0.641581 0.122663 0.010766 P\n0.141581 0.877338 0.989233 P\n0.490941 0.727097 0.260766 H\n0.990941 0.272904 0.739233 H\n0.335609 0.618598 0.601839 O\n0.835609 0.381402 0.398160 O\n0.445545 0.506397 0.306963 O\n0.026447 0.633447 0.099274 O\n0.307477 0.758147 0.956200 O\n0.945545 0.493604 0.693036 O\n0.662347 0.886724 0.899895 O\n0.807477 0.241853 0.043799 O\n0.692600 0.738326 0.545435 O\n0.973246 0.861723 0.402745 O\n0.551393 0.002158 0.193894 O\n0.162347 0.113276 0.100104 O\n0.192600 0.261674 0.454564 O\n0.473246 0.138277 0.597254 O\n0.051393 -0.002158 0.806105 O\n0.526447 0.366553 0.900725 O\n",
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}