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{
"id": "jvasp-95283",
"created_at": "2022-09-04T14:35:57.026841Z",
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"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.717118 -0.001366 1.340049\n1.200422 7.369480 0.835193\n-0.006210 -0.002375 9.974598\nSr Li Al N\n4 4 12 16\ndirect\n0.995724 0.866154 0.872598 Sr\n0.004276 0.133846 0.127402 Sr\n0.976795 0.615860 0.628439 Sr\n0.023204 0.384141 0.371561 Sr\n0.533362 0.674879 0.887140 Li\n0.466638 0.325121 0.112860 Li\n0.791900 0.818745 0.355312 Li\n0.208100 0.181255 0.644688 Li\n0.562214 0.202468 0.367210 Al\n0.437786 0.797532 0.632790 Al\n0.531141 0.438707 0.624727 Al\n0.819770 0.556838 0.100107 Al\n0.180230 0.443162 0.899893 Al\n0.468859 0.561293 0.375273 Al\n0.831215 0.292382 0.852616 Al\n0.174590 0.940250 0.398008 Al\n0.825410 0.059750 0.601992 Al\n0.552377 0.954301 0.123506 Al\n0.447623 0.045699 0.876494 Al\n0.168785 0.707618 0.147384 Al\n0.196979 0.708733 0.332952 N\n0.803021 0.291267 0.667048 N\n0.161894 0.475495 0.089226 N\n0.838106 0.524505 0.910774 N\n0.830917 0.795059 0.144375 N\n0.169083 0.204941 0.855625 N\n0.152210 0.932361 0.592446 N\n0.616759 0.916373 0.720692 N\n0.383241 0.083627 0.279308 N\n0.372601 0.354888 0.504728 N\n0.627399 0.645113 0.495272 N\n0.349928 0.866806 0.028024 N\n0.650072 0.133194 0.971976 N\n0.342582 0.591440 0.761618 N\n0.847790 0.067639 0.407554 N\n0.657418 0.408560 0.238382 N\n",
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{
"id": "jvasp-101374",
"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
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"volume": 1011.9239162774958,
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{
"id": "jvasp-98620",
"created_at": "2022-09-04T14:35:56.969238Z",
"updated_at": "2022-09-04T14:35:56.969268Z",
"structure_string": "Ba4 H8 C8 O16\n1.0\n8.860846 0.000000 0.000000\n0.000000 7.638982 0.000000\n0.000000 0.000000 6.832715\nBa H C O\n4 8 8 16\ndirect\n0.911403 0.538255 0.327706 Ba\n0.588598 0.461744 0.827706 Ba\n0.411403 0.961744 0.672295 Ba\n0.088598 0.038256 0.172295 Ba\n0.446709 0.699226 0.250777 H\n0.053292 0.300774 0.750777 H\n0.946709 0.800774 0.749224 H\n0.553292 0.199226 0.249223 H\n0.738280 0.045594 0.986282 H\n0.761720 0.954406 0.486281 H\n0.238280 0.454406 0.013719 H\n0.261720 0.545594 0.513719 H\n0.264813 0.400705 0.496085 C\n0.235187 0.599295 -0.003915 C\n0.735187 0.900705 0.003915 C\n0.764814 0.099295 0.503916 C\n0.040971 0.871474 0.677809 C\n0.959029 0.371474 0.822192 C\n0.540971 0.628526 0.322192 C\n0.459029 0.128526 0.177808 C\n0.860189 0.182332 0.402417 O\n0.639811 0.817668 0.902417 O\n0.170477 0.334481 0.377116 O\n0.329523 0.665519 0.877116 O\n0.670477 0.165519 0.622885 O\n0.829524 0.834481 0.122884 O\n0.394012 0.007691 0.273225 O\n0.894012 0.492308 0.726775 O\n0.605989 0.507691 0.226775 O\n0.421732 0.176812 0.005705 O\n0.078268 0.823188 0.505705 O\n0.921732 0.323188 0.994296 O\n0.578269 0.676812 0.494296 O\n0.139811 0.682332 0.097584 O\n0.105989 0.992308 0.773226 O\n0.360189 0.317668 0.597584 O\n",
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{
"id": "jvasp-61264",
"created_at": "2022-09-04T14:35:57.621291Z",
"updated_at": "2022-09-04T14:35:57.621324Z",
"structure_string": "Na2 Fe2 B2 P4 H6 O20\n1.0\n4.015786 5.205651 -0.022737\n-4.015786 5.205651 -0.022737\n0.000000 4.089496 8.005314\nNa Fe B P H O\n2 2 2 4 6 20\ndirect\n0.860885 0.139116 0.749999 Na\n0.139116 0.860884 0.249999 Na\n-0.000000 0.500000 -0.000000 Fe\n0.500001 0.000000 0.500000 Fe\n0.535862 0.464139 0.249999 B\n0.464139 0.535862 0.749999 B\n0.713253 0.840974 0.181826 P\n0.159026 0.286748 0.318173 P\n0.840974 0.713253 0.681825 P\n0.286748 0.159027 0.818173 P\n0.000000 0.500001 0.500000 H\n0.304530 0.687107 0.564853 H\n0.687106 0.304530 0.064854 H\n0.695470 0.312894 0.435145 H\n0.312894 0.695471 0.935145 H\n0.500000 -0.000000 -0.000000 H\n0.429400 0.702082 0.595702 O\n0.297918 0.570601 0.904296 O\n0.570600 0.297918 0.404297 O\n0.702082 0.429400 0.095702 O\n0.269772 0.079041 0.682568 O\n0.920960 0.730229 0.817430 O\n0.730229 0.920960 0.317430 O\n0.079040 0.269771 0.182569 O\n0.057423 0.280668 0.886147 O\n0.280668 0.057423 0.386147 O\n0.942577 0.719332 0.113852 O\n0.637390 0.038464 0.044204 O\n0.961536 0.362611 0.455795 O\n0.038464 0.637390 0.544204 O\n0.465005 0.315971 0.744214 O\n0.684030 0.534996 0.755784 O\n0.534996 0.684030 0.255784 O\n0.315971 0.465005 0.244215 O\n0.719333 0.942578 0.613852 O\n0.362611 0.961537 0.955795 O\n",
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{
"id": "jvasp-24306",
"created_at": "2022-09-04T14:38:18.723087Z",
"updated_at": "2022-09-04T14:38:18.723107Z",
"structure_string": "Ba10 Ta4 Cl4 O18\n1.0\n2.998485 -5.193529 -0.000000\n2.998485 5.193529 0.000000\n0.000000 0.000000 25.086312\nBa Ta Cl O\n10 4 4 18\ndirect\n0.333332 0.666666 0.581033 Ba\n0.333332 0.666666 0.918967 Ba\n0.333332 0.666666 0.172046 Ba\n0.666666 0.333332 0.418967 Ba\n0.666666 0.333332 0.081033 Ba\n0.666666 0.333332 0.672046 Ba\n0.666666 0.333332 0.827954 Ba\n0.333332 0.666666 0.750000 Ba\n0.666666 0.333332 0.250000 Ba\n0.333332 0.666666 0.327954 Ba\n0.000000 0.000000 0.189681 Ta\n0.000000 0.000000 0.689681 Ta\n0.000000 0.000000 0.810319 Ta\n0.000000 0.000000 0.310319 Ta\n0.666666 0.333332 0.952757 Cl\n0.666666 0.333332 0.547243 Cl\n0.333332 0.666666 0.452757 Cl\n0.333332 0.666666 0.047243 Cl\n0.673717 0.836858 0.844744 O\n0.163140 0.836858 0.655256 O\n0.836858 0.163140 0.155256 O\n0.148510 0.851488 0.250000 O\n0.326281 0.163140 0.155256 O\n0.297022 0.148511 0.750000 O\n0.851488 0.148510 0.750000 O\n0.836858 0.673717 0.155256 O\n0.326281 0.163140 0.344744 O\n0.163140 0.326281 0.844744 O\n0.163140 0.326281 0.655256 O\n0.851487 0.702976 0.750000 O\n0.836858 0.163140 0.344744 O\n0.702976 0.851487 0.250000 O\n0.163140 0.836858 0.844744 O\n0.148511 0.297022 0.250000 O\n0.836858 0.673717 0.344744 O\n0.673717 0.836858 0.655256 O\n",
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{
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"created_at": "2022-09-04T14:36:05.251799Z",
"updated_at": "2022-09-04T14:36:05.251817Z",
"structure_string": "K20 Sn4 Sb12\n1.0\n8.664965 0.000000 0.000000\n0.000000 9.861907 -0.026974\n0.000000 -0.016020 16.055330\nK Sn Sb\n20 4 12\ndirect\n0.162698 0.576218 0.258550 K\n0.503247 0.306584 0.242211 K\n0.003246 0.193416 0.257790 K\n0.996754 0.806584 0.742211 K\n0.980809 0.830242 0.421585 K\n0.480809 0.669758 0.078416 K\n0.019192 0.169758 0.578416 K\n0.519192 0.330242 0.921584 K\n0.493780 0.696347 0.411262 K\n0.993780 0.803653 0.088739 K\n0.496754 0.693416 0.757790 K\n0.006220 0.196347 0.911262 K\n0.324400 0.079301 0.078762 K\n0.824401 0.420699 0.421239 K\n0.675600 0.920699 0.921239 K\n0.175600 0.579301 0.578762 K\n0.337302 0.076218 0.758550 K\n0.506221 0.303653 0.588738 K\n0.837303 0.423782 0.741450 K\n0.662698 0.923782 0.241450 K\n0.644242 0.925664 0.588314 Sn\n0.144242 0.574337 0.911686 Sn\n0.355759 0.074337 0.411686 Sn\n0.855759 0.425664 0.088314 Sn\n0.737328 0.081895 0.731303 Sb\n0.260722 0.848213 0.918872 Sb\n0.760722 0.651787 0.581129 Sb\n0.739279 0.151787 0.081129 Sb\n0.239279 0.348213 0.418871 Sb\n0.195337 0.417697 0.065881 Sb\n0.695338 0.082303 0.434119 Sb\n0.804663 0.582303 0.934120 Sb\n0.304663 0.917697 0.565881 Sb\n0.262673 0.918106 0.268697 Sb\n0.762673 0.581895 0.231303 Sb\n0.237328 0.418106 0.768697 Sb\n",
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{
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"created_at": "2022-09-04T14:37:04.259622Z",
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"structure_string": "Ti4 Tl16 Se16\n1.0\n8.503971 0.000000 0.000000\n0.000000 8.374029 -2.029812\n0.000000 -0.041417 15.833034\nTi Tl Se\n4 16 16\ndirect\n0.388127 0.207825 0.877340 Ti\n0.611873 0.792175 0.122660 Ti\n0.111873 0.207825 0.377340 Ti\n0.888126 0.792175 0.622660 Ti\n-0.001980 0.968599 0.873941 Tl\n0.498020 0.031400 0.626058 Tl\n0.001980 0.031400 0.126059 Tl\n0.501979 0.968600 0.373941 Tl\n0.177354 0.598329 0.889408 Tl\n0.677354 0.401670 0.610592 Tl\n0.707904 0.390352 0.360361 Tl\n0.322646 0.598329 0.389408 Tl\n0.606171 0.807768 0.870852 Tl\n0.106171 0.192232 0.629148 Tl\n0.393829 0.192232 0.129148 Tl\n0.893829 0.807768 0.370852 Tl\n0.792096 0.390352 0.860360 Tl\n0.292096 0.609648 0.639639 Tl\n0.207904 0.609648 0.139639 Tl\n0.822646 0.401671 0.110592 Tl\n0.324960 0.950518 0.784791 Se\n0.824960 0.049481 0.715209 Se\n0.553469 0.605024 0.208863 Se\n0.053469 0.394976 0.291137 Se\n0.446531 0.394975 0.791137 Se\n0.946531 0.605024 0.708863 Se\n0.836895 0.703636 0.033278 Se\n0.385055 0.823495 0.036875 Se\n0.163105 0.296364 0.966722 Se\n0.663105 0.703636 0.533277 Se\n0.885055 0.176505 0.463125 Se\n0.614945 0.176505 0.963125 Se\n0.114945 0.823495 0.536875 Se\n0.175040 0.950518 0.284791 Se\n0.336895 0.296364 0.466722 Se\n0.675040 0.049482 0.215209 Se\n",
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"created_at": "2022-09-04T14:38:15.028759Z",
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"structure_string": "H12 Cl4 O20\n1.0\n9.066630 0.000000 -0.305141\n0.000000 5.538780 0.000000\n-0.232408 0.000000 6.934856\nH Cl O\n12 4 20\ndirect\n0.161542 0.893313 0.065322 H\n0.161542 0.606687 0.065322 H\n0.285989 0.750000 0.208106 H\n0.604653 0.750000 0.403694 H\n0.686893 0.750000 0.183801 H\n0.790622 0.750000 0.407377 H\n0.882979 0.250000 0.937627 H\n0.843678 0.250000 0.685779 H\n0.706575 0.250000 0.842612 H\n0.405337 0.250000 0.629942 H\n0.217743 0.250000 0.598623 H\n0.305044 0.250000 0.831915 H\n0.564405 0.750000 0.819567 Cl\n0.060461 0.750000 0.703039 Cl\n0.944382 0.250000 0.316598 Cl\n0.425656 0.250000 0.193287 Cl\n0.077460 0.533460 0.827900 O\n0.693634 0.750000 0.331797 O\n0.182691 0.750000 0.151499 O\n0.418309 0.034996 0.314378 O\n0.924267 0.463461 0.195032 O\n0.573673 0.535873 0.696809 O\n0.077460 0.966540 0.827900 O\n0.573673 0.964127 0.696809 O\n0.418309 0.465004 0.314378 O\n0.291372 0.250000 0.054255 O\n0.428131 0.750000 0.917699 O\n0.910660 0.750000 0.611192 O\n0.557985 0.250000 0.087825 O\n0.092555 0.250000 0.412569 O\n0.693136 0.750000 0.962959 O\n0.170283 0.750000 0.562795 O\n0.812691 0.250000 0.824020 O\n0.831990 0.250000 0.461413 O\n0.924267 0.036539 0.195032 O\n0.309335 0.250000 0.685808 O\n",
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{
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