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{
"id": "jvasp-98782",
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"structure_string": "Ba6 Nb2 Ir1 Cl2 O12\n1.0\n5.983886 -0.000000 -0.000000\n-2.991943 5.182197 0.000000\n-0.000000 0.000000 15.015355\nBa Nb Ir Cl O\n6 2 1 2 12\ndirect\n0.333334 0.666667 0.366378 Ba\n0.333334 0.666667 0.790653 Ba\n0.666668 0.333333 0.633622 Ba\n0.666668 0.333333 0.928517 Ba\n0.333334 0.666667 0.071483 Ba\n0.666668 0.333333 0.209347 Ba\n0.000000 0.000000 0.813913 Nb\n0.000000 0.000000 0.186087 Nb\n0.000000 0.000000 0.000000 Ir\n0.666668 0.333333 0.419673 Cl\n0.333334 0.666667 0.580328 Cl\n0.689207 0.844603 0.917129 O\n0.844604 0.155397 0.082872 O\n0.310795 0.155397 0.082872 O\n0.163971 0.836030 0.242406 O\n0.844604 0.689206 0.082872 O\n0.155397 0.310794 0.917129 O\n0.836030 0.672059 0.757594 O\n0.163971 0.327942 0.242406 O\n0.327942 0.163971 0.757594 O\n0.672060 0.836030 0.242406 O\n0.836030 0.163971 0.757594 O\n0.155398 0.844603 0.917129 O\n",
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{
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"structure_string": "K4 Mn4 F16\n1.0\n5.708375 0.000000 -0.055295\n0.000000 7.697022 0.000000\n0.017428 0.000000 7.754918\nK Mn F\n4 4 16\ndirect\n0.517560 0.694658 0.252514 K\n0.482439 0.194658 0.247486 K\n0.482439 0.305342 0.747486 K\n0.517561 0.805342 0.752514 K\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.293470 0.578628 0.556195 F\n0.901895 0.480174 0.766228 F\n0.098104 0.519825 0.233772 F\n0.901895 0.019826 0.266227 F\n0.706530 0.421372 0.443805 F\n0.098104 0.980174 0.733772 F\n0.877725 0.731076 0.499133 F\n0.705611 0.435154 0.066612 F\n0.122274 0.268924 0.500867 F\n0.877726 0.768924 0.999133 F\n0.293470 0.921372 0.056194 F\n0.294389 0.935154 0.433387 F\n0.294389 0.564846 0.933387 F\n0.706530 0.078628 0.943805 F\n0.122274 0.231076 0.000866 F\n0.705611 0.064846 0.566613 F\n",
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{
"id": "jvasp-98784",
"created_at": "2022-09-04T14:35:54.300910Z",
"updated_at": "2022-09-04T14:35:54.300930Z",
"structure_string": "Pr6 Si4 Cl6 O14\n1.0\n5.328621 -0.085728 0.000000\n-2.687042 7.502149 0.000000\n0.000000 0.000000 12.144017\nPr Si Cl O\n6 4 6 14\ndirect\n0.325499 0.530769 0.895847 Pr\n0.610651 0.081594 0.877086 Pr\n0.389349 0.918406 0.377086 Pr\n0.144089 0.202719 0.620049 Pr\n0.855911 0.797281 0.120049 Pr\n0.674501 0.469231 0.395847 Pr\n0.930870 0.818641 0.822855 Si\n0.276708 0.563662 0.210507 Si\n0.069130 0.181358 0.322855 Si\n0.723293 0.436338 0.710508 Si\n0.127167 0.168139 0.993436 Cl\n0.787413 0.442771 0.996652 Cl\n0.481569 0.992311 0.619032 Cl\n0.872833 0.831861 0.493436 Cl\n0.212587 0.557228 0.496652 Cl\n0.518431 0.007689 0.119031 Cl\n0.219020 0.807720 0.859990 O\n0.724404 0.804704 0.927114 O\n0.750990 0.639990 0.750447 O\n0.022032 0.619124 0.248593 O\n0.249010 0.360009 0.250446 O\n0.457758 0.306445 0.780132 O\n0.542243 0.693555 0.280132 O\n0.780980 0.192279 0.359990 O\n0.977968 0.380875 0.748594 O\n0.275596 0.195296 0.427114 O\n0.370443 0.599417 0.083846 O\n0.941796 0.001983 0.762437 O\n0.058204 -0.001983 0.262437 O\n0.629557 0.400582 0.583846 O\n",
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{
"id": "jvasp-98785",
"created_at": "2022-09-04T14:35:56.194789Z",
"updated_at": "2022-09-04T14:35:56.194812Z",
"structure_string": "K8 C4 S8 O24 F8\n1.0\n6.029271 0.000000 0.000000\n0.000000 9.218072 -3.633318\n0.000000 -0.439237 14.356431\nK C S O F\n8 4 8 24 8\ndirect\n0.281402 0.954490 0.664116 K\n0.269648 0.718221 0.333540 K\n0.730352 0.281778 0.666460 K\n0.769648 0.281778 0.166460 K\n0.218598 0.954490 0.164116 K\n0.230352 0.718221 0.833540 K\n0.718598 0.045509 0.335883 K\n0.781402 0.045509 0.835883 K\n0.299059 0.316646 0.461594 C\n0.700941 0.683353 0.538406 C\n0.200941 0.316646 0.961594 C\n0.799059 0.683354 0.038406 C\n0.711587 0.852902 0.019882 S\n0.288412 0.147097 0.980117 S\n0.749414 0.694897 0.170250 S\n0.788412 0.852902 0.519882 S\n0.250585 0.305102 0.829749 S\n0.249415 0.305102 0.329749 S\n0.750585 0.694897 0.670250 S\n0.211588 0.147097 0.480117 S\n0.026600 0.834516 0.500832 O\n0.436625 0.214735 0.273304 O\n0.563375 0.785265 0.726696 O\n0.269914 0.026820 0.383869 O\n0.230085 0.026820 0.883869 O\n0.063375 0.214734 0.773304 O\n0.749191 0.545580 0.664924 O\n0.750809 0.545580 0.164924 O\n0.250809 0.454420 0.335075 O\n0.473400 0.834516 0.000832 O\n0.526600 0.165484 0.999167 O\n0.534449 0.769674 0.197758 O\n0.034449 0.230326 0.302242 O\n0.730085 0.973180 0.616130 O\n0.965551 0.769673 0.697758 O\n0.249191 0.454420 0.835075 O\n0.936624 0.785265 0.226696 O\n0.973400 0.165484 0.499168 O\n0.769914 0.973180 0.116130 O\n0.156436 0.152675 0.066762 O\n0.843564 0.847324 0.933237 O\n0.343564 0.152675 0.566762 O\n0.465551 0.230326 0.802242 O\n0.656436 0.847324 0.433237 O\n0.975083 0.333359 0.979668 F\n0.524917 0.333359 0.479668 F\n0.804547 0.564378 0.468512 F\n0.024917 0.666641 0.020332 F\n0.195453 0.435622 0.531487 F\n0.304547 0.435622 0.031487 F\n0.695453 0.564377 0.968512 F\n0.475083 0.666641 0.520332 F\n",
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{
"id": "jvasp-98786",
"created_at": "2022-09-04T14:35:58.182426Z",
"updated_at": "2022-09-04T14:35:58.182445Z",
"structure_string": "K4 Lu4 P8 O28\n1.0\n7.459404 0.023836 0.000000\n-2.397373 8.182151 0.000000\n0.000000 0.000000 10.721497\nK Lu P O\n4 4 8 28\ndirect\n0.175700 0.557294 0.182769 K\n0.824300 0.442706 0.817232 K\n0.175700 0.057294 0.317232 K\n0.824301 0.942706 0.682769 K\n0.769295 0.244440 0.404373 Lu\n0.230705 0.755561 0.595627 Lu\n0.230705 0.255561 0.904373 Lu\n0.769295 0.744440 0.095627 Lu\n0.452803 0.690300 0.853216 P\n0.452802 0.190300 0.646784 P\n0.547198 0.809700 0.353216 P\n0.547197 0.309701 0.146784 P\n0.861630 0.181785 0.098719 P\n0.138370 0.818215 0.901281 P\n0.861630 0.681785 0.401281 P\n0.138370 0.318215 0.598719 P\n0.924673 0.756009 0.272611 O\n0.648695 0.230537 0.590988 O\n0.333871 0.018745 0.615423 O\n0.666129 0.481255 0.115423 O\n0.646947 0.685473 0.423077 O\n0.139420 0.495333 0.591484 O\n0.353053 0.314528 0.576924 O\n0.463174 0.733367 0.714401 O\n0.646947 0.185473 0.076924 O\n0.075327 0.243992 0.727390 O\n0.924673 0.256009 0.227390 O\n0.648695 0.730537 0.909013 O\n0.860580 0.504668 0.408516 O\n0.976659 0.286008 0.994427 O\n0.351305 0.269463 0.090988 O\n0.666129 0.981255 0.384577 O\n0.023341 0.713992 0.005573 O\n0.139420 0.995333 0.908516 O\n0.536826 0.266633 0.285599 O\n0.023341 0.213992 0.494427 O\n0.075327 0.743992 0.772611 O\n0.351305 0.769463 0.409013 O\n0.353053 0.814528 0.923077 O\n0.976659 0.786008 0.505573 O\n0.333871 0.518745 0.884578 O\n0.860580 0.004668 0.091484 O\n0.463174 0.233367 0.785599 O\n0.536826 0.766633 0.214401 O\n",
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{
"id": "jvasp-98787",
"created_at": "2022-09-04T14:35:59.903514Z",
"updated_at": "2022-09-04T14:35:59.903540Z",
"structure_string": "Nd16 Ga8 O36\n1.0\n7.358983 0.000000 -2.546032\n0.000000 11.058068 0.000000\n0.031028 0.000000 11.606320\nNd Ga O\n16 8 36\ndirect\n0.522281 0.393363 0.283505 Nd\n0.834210 0.119079 0.410413 Nd\n0.834211 0.380921 0.910413 Nd\n0.023734 0.090709 0.807363 Nd\n0.477719 0.893363 0.216495 Nd\n0.336121 0.376000 0.932197 Nd\n0.477719 0.606637 0.716495 Nd\n0.165789 0.619079 0.089587 Nd\n0.165789 0.880922 0.589587 Nd\n0.976265 0.590709 0.692637 Nd\n0.336121 0.124000 0.432197 Nd\n0.023734 0.409291 0.307363 Nd\n0.976265 0.909291 0.192637 Nd\n0.663879 0.876000 0.567803 Nd\n0.522281 0.106637 0.783505 Nd\n0.663879 0.624000 0.067803 Nd\n0.785789 0.685216 0.373803 Ga\n0.785789 0.814784 0.873803 Ga\n0.214211 0.314784 0.626197 Ga\n0.656064 0.182557 0.113682 Ga\n0.343936 0.817444 0.886318 Ga\n0.343936 0.682557 0.386318 Ga\n0.214211 0.185216 0.126197 Ga\n0.656064 0.317444 0.613682 Ga\n0.783972 0.976798 0.839450 O\n0.363266 0.768310 0.041117 O\n0.567906 0.751722 0.886484 O\n0.078116 0.993442 0.394432 O\n0.363266 0.731690 0.541117 O\n0.565405 0.009005 0.395387 O\n0.072252 0.263659 0.474859 O\n0.072252 0.236341 0.974859 O\n0.785786 0.273148 0.248934 O\n0.233582 0.229278 0.768925 O\n0.216028 0.023202 0.160550 O\n0.785786 0.226852 0.748934 O\n0.296916 0.526940 0.324532 O\n0.921884 0.493442 0.105568 O\n0.432094 0.251721 0.613516 O\n0.296916 0.973060 0.824532 O\n0.927748 0.763659 0.025141 O\n0.703084 0.026940 0.175468 O\n0.927748 0.736341 0.525141 O\n0.567906 0.748279 0.386484 O\n0.636734 0.231690 0.958883 O\n0.214214 0.773148 0.251066 O\n0.921884 0.006558 0.605568 O\n0.434595 0.509005 0.104613 O\n0.432094 0.248279 0.113516 O\n0.766418 0.770722 0.231075 O\n0.783972 0.523202 0.339450 O\n0.703084 0.473060 0.675468 O\n0.078116 0.506558 0.894432 O\n0.214214 0.726852 0.751066 O\n0.233582 0.270722 0.268925 O\n0.636734 0.268310 0.458883 O\n0.766418 0.729278 0.731075 O\n0.434595 0.990996 0.604613 O\n0.216028 0.476798 0.660550 O\n0.565405 0.490996 0.895387 O\n",
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{
"id": "jvasp-98788",
"created_at": "2022-09-04T14:36:03.133196Z",
"updated_at": "2022-09-04T14:36:03.133220Z",
"structure_string": "K8 Te8 O8 F24\n1.0\n7.829626 0.000000 -0.000000\n-0.000000 10.064445 -0.000000\n-0.000000 0.000000 10.064445\nK Te O F\n8 8 8 24\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.250000 0.750000 0.750000 K\n0.750000 0.250000 0.250000 K\n0.500000 0.500000 0.000000 K\n0.500000 -0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.537335 0.620558 0.404131 Te\n0.462665 0.379442 0.595870 Te\n0.962666 0.404131 0.879443 Te\n0.037335 0.595870 0.120558 Te\n0.037335 0.904131 0.379442 Te\n0.537335 0.879443 0.095869 Te\n0.462665 0.120558 0.904131 Te\n0.962666 0.095869 0.620558 Te\n0.345901 0.493736 0.468960 O\n0.845901 0.531040 0.993736 O\n0.154100 0.468960 0.006264 O\n0.654100 0.993736 0.968960 O\n0.654100 0.506265 0.531040 O\n0.154100 0.031040 0.493736 O\n0.845901 0.968960 0.506265 O\n0.345901 0.006264 0.031040 O\n0.610512 0.490492 0.259610 F\n0.110512 0.740391 0.990492 F\n0.110512 0.759610 0.509508 F\n0.507709 0.752304 0.930911 F\n0.216609 0.305199 0.609877 F\n0.716609 0.109877 0.694801 F\n0.889488 0.240391 0.490492 F\n0.783392 0.805199 0.109877 F\n0.783392 0.694801 0.390123 F\n0.716609 0.390123 0.805199 F\n0.216609 0.194801 0.890124 F\n0.007709 0.069089 0.252304 F\n0.283391 0.890124 0.305199 F\n0.992291 0.569089 0.752304 F\n0.507709 0.747697 0.569089 F\n0.389488 0.509508 0.740391 F\n0.889488 0.259610 0.009508 F\n0.492291 0.252304 0.430911 F\n0.610512 0.009508 0.240391 F\n0.007709 0.430911 0.247696 F\n0.389488 0.990492 0.759610 F\n0.492291 0.247696 0.069089 F\n0.283391 0.609877 0.194801 F\n0.992291 0.930911 0.747697 F\n",
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{
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"structure_string": "Ca4 Zr2 Si8 O24\n1.0\n5.336590 -0.007771 0.000000\n-2.418004 7.032274 0.000000\n0.000000 0.000000 13.760820\nCa Zr Si O\n4 2 8 24\ndirect\n0.000000 0.500000 0.000000 Ca\n0.837842 0.187209 0.250000 Ca\n0.162158 0.812790 0.750000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.435731 0.384198 0.359967 Si\n0.565953 0.179707 0.638403 Si\n0.435731 0.384198 0.140033 Si\n0.434047 0.820292 0.361597 Si\n0.564270 0.615802 0.859967 Si\n0.565953 0.179707 0.861597 Si\n0.564270 0.615802 0.640033 Si\n0.434047 0.820292 0.138403 Si\n0.737779 0.956136 0.120742 O\n0.220000 0.258173 0.437634 O\n0.733045 0.381827 0.133385 O\n0.401464 0.594395 0.372837 O\n0.266956 0.618173 0.633385 O\n0.262221 0.043864 0.620742 O\n0.780001 0.741827 0.562366 O\n0.789715 0.156933 0.934727 O\n0.220000 0.258173 0.062366 O\n0.210286 0.843067 0.434727 O\n0.598537 0.405604 0.627163 O\n0.780001 0.741827 0.937634 O\n0.635568 0.129571 0.750000 O\n0.733045 0.381827 0.366615 O\n0.307834 0.304647 0.250000 O\n0.598537 0.405604 0.872837 O\n0.692167 0.695353 0.750000 O\n0.737779 0.956136 0.379258 O\n0.401464 0.594395 0.127163 O\n0.262221 0.043864 0.879258 O\n0.266956 0.618173 0.866615 O\n0.210286 0.843067 0.065273 O\n0.364433 0.870428 0.250000 O\n0.789715 0.156933 0.565273 O\n",
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