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{
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{
"id": "jvasp-104029",
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"structure_string": "H32 C18 O6\n1.0\n5.516966 0.015677 -1.905404\n-1.593594 8.051214 -0.478463\n-0.050379 0.121876 9.232536\nH C O\n32 18 6\ndirect\n0.995202 0.814366 0.500717 H\n0.762384 0.048417 0.526603 H\n0.237618 0.951583 0.473399 H\n0.801034 0.350864 0.604435 H\n0.198967 0.649136 0.395567 H\n0.497044 0.747815 0.508021 H\n0.724836 0.552475 0.440085 H\n0.275165 0.447525 0.559917 H\n0.820643 0.427101 0.320170 H\n0.179358 0.572900 0.679832 H\n0.283982 0.424319 0.300471 H\n0.716019 0.575681 0.699531 H\n0.489844 0.266175 0.076258 H\n0.510158 0.733825 0.923743 H\n0.791897 0.357982 0.938695 H\n0.208104 0.642018 0.061306 H\n0.502957 0.252185 0.491981 H\n0.398676 0.383151 0.833623 H\n0.601325 0.616849 0.166379 H\n0.004800 0.185634 0.499284 H\n0.215967 0.835377 0.780943 H\n0.784035 0.164623 0.219059 H\n0.833727 0.972709 0.285107 H\n0.568040 0.062396 0.908735 H\n0.166275 0.027291 0.714894 H\n0.599593 0.110338 0.731899 H\n0.400408 0.889662 0.268102 H\n0.913634 0.955473 0.889727 H\n0.086368 0.044527 0.110275 H\n0.759622 0.859904 0.703482 H\n0.240380 0.140096 0.296519 H\n0.431961 0.937604 0.091267 H\n0.124584 0.308095 0.989448 C\n0.273726 0.929423 0.712458 C\n0.875417 0.691906 0.010554 C\n0.268195 0.110586 0.187198 C\n0.731806 0.889414 0.812804 C\n0.453284 0.993213 0.206925 C\n0.546718 0.006787 0.793077 C\n0.726276 0.070577 0.287543 C\n0.801789 0.145802 0.455239 C\n0.321090 0.570678 0.625422 C\n0.688646 0.294682 0.486979 C\n0.311356 0.705318 0.513022 C\n0.678912 0.429323 0.374579 C\n0.428245 0.425180 0.247917 C\n0.571756 0.574820 0.752085 C\n0.340973 0.275220 0.122521 C\n0.659028 0.724780 0.877481 C\n0.198213 0.854199 0.544763 C\n0.564137 0.421068 0.823402 O\n0.873099 0.679464 0.143454 O\n0.126902 0.320537 0.856547 O\n0.071654 0.676888 0.972033 O\n0.928347 0.323112 0.027968 O\n0.435864 0.578932 0.176599 O\n",
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{
"id": "jvasp-78876",
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"updated_at": "2022-09-04T14:36:43.310074Z",
"structure_string": "Li2 O2\n1.0\n3.737444 -0.000000 -0.000000\n0.000000 3.737444 0.000000\n0.000000 0.000000 2.098281\nLi O\n2 2\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500001 O\n0.500000 0.000000 0.499999 O\n",
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{
"id": "jvasp-97746",
"created_at": "2022-09-04T14:35:54.924143Z",
"updated_at": "2022-09-04T14:35:54.924174Z",
"structure_string": "H16 Pt2 O12\n1.0\n4.064714 3.653195 -0.267013\n-4.064714 3.653195 0.267013\n-0.013748 0.000000 7.406673\nH Pt O\n16 2 12\ndirect\n0.136777 0.618788 0.847283 H\n0.971213 0.949018 0.484743 H\n0.157278 0.157049 0.712284 H\n0.050980 0.028786 0.984743 H\n0.406071 0.762246 0.601717 H\n0.541582 0.473819 0.008399 H\n0.526179 0.458417 0.508399 H\n0.237753 0.593927 0.101717 H\n0.842949 0.842721 0.212284 H\n0.516608 0.139515 0.338645 H\n0.111012 0.254194 0.252693 H\n0.805940 0.377765 0.111171 H\n0.745804 0.888987 0.752693 H\n0.622233 0.194059 0.611171 H\n0.860484 0.483391 0.838644 H\n0.381211 0.863222 0.347283 H\n0.006339 0.496290 0.506127 Pt\n0.503709 -0.006339 0.006127 Pt\n0.143960 0.174601 0.575115 O\n0.188505 0.139485 0.927048 O\n0.354364 0.656819 0.496284 O\n0.674283 0.349005 0.005715 O\n0.650994 0.325716 0.505715 O\n0.590219 0.965869 0.747342 O\n0.398610 0.025034 0.266365 O\n0.034130 0.409780 0.247343 O\n0.974965 0.601389 0.766365 O\n0.825398 0.856039 0.075115 O\n0.343180 0.645635 0.996284 O\n0.860514 0.811494 0.427049 O\n",
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{
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"updated_at": "2022-09-04T14:37:07.144227Z",
"structure_string": "Al8 H24 O24\n1.0\n8.728138 -0.000000 0.000000\n-0.000000 5.064923 0.000000\n0.000000 0.000000 9.293643\nAl H O\n8 24 24\ndirect\n0.834522 0.031515 0.513322 Al\n0.334522 0.468485 0.486678 Al\n0.165478 0.531514 0.986677 Al\n0.665478 0.968485 0.013322 Al\n0.165478 0.968485 0.486678 Al\n0.665478 0.531514 0.513322 Al\n0.834522 0.468485 0.013322 Al\n0.334522 0.031515 0.986677 Al\n0.887490 0.840812 0.189329 H\n0.387490 0.659187 0.810670 H\n0.309143 0.170500 0.695559 H\n0.809143 0.329500 0.304441 H\n0.309143 0.329500 0.195559 H\n0.690858 0.829500 0.304441 H\n0.190857 0.670500 0.695559 H\n0.612510 0.159187 0.689329 H\n0.809143 0.170500 0.804441 H\n0.690858 0.670500 0.804441 H\n0.112510 0.340812 0.310670 H\n0.190857 0.829500 0.195559 H\n0.112510 0.159187 0.810670 H\n0.612510 0.340812 0.189329 H\n0.960713 0.672925 0.389600 H\n0.539288 0.327074 0.889600 H\n0.039288 0.172926 0.110400 H\n0.539288 0.172926 0.389600 H\n0.460712 0.827074 0.610400 H\n0.460712 0.672925 0.110400 H\n0.960713 0.827074 0.889600 H\n0.887490 0.659187 0.689329 H\n0.387490 0.840812 0.310670 H\n0.039288 0.327074 0.610400 H\n0.171125 0.643632 0.592051 O\n0.196133 0.270580 0.370218 O\n0.671125 0.856367 0.407948 O\n0.171125 0.856367 0.092052 O\n0.671125 0.643632 0.907948 O\n0.828876 0.356367 0.407948 O\n0.328876 0.143632 0.592051 O\n0.303867 0.729419 0.870218 O\n0.803867 0.770580 0.129782 O\n0.696133 0.229419 0.629782 O\n0.696133 0.270580 0.129782 O\n0.016744 0.135841 0.612410 O\n0.303867 0.770580 0.370218 O\n0.803867 0.729419 0.629782 O\n0.983256 0.635840 0.887589 O\n0.483256 0.864159 0.112410 O\n0.516744 0.364159 0.387590 O\n0.016744 0.364159 0.112410 O\n0.516744 0.135841 0.887589 O\n0.983256 0.864159 0.387590 O\n0.483256 0.635840 0.612410 O\n0.328876 0.356367 0.092052 O\n0.196133 0.229419 0.870218 O\n0.828876 0.143632 0.907948 O\n",
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{
"id": "jvasp-114015",
"created_at": "2022-09-04T14:38:51.952730Z",
"updated_at": "2022-09-04T14:38:51.952755Z",
"structure_string": "B1 O1\n1.0\n2.586941 -0.000000 -0.000000\n-1.293470 2.240356 0.000000\n0.000000 -0.000000 2.531807\nB O\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333334 0.666668 0.000000 O\n",
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{
"id": "jvasp-98585",
"created_at": "2022-09-04T14:36:17.421477Z",
"updated_at": "2022-09-04T14:36:17.421512Z",
"structure_string": "H16 Pt2 O12\n1.0\n4.079290 3.656791 -0.195779\n-4.059681 3.638393 0.322729\n-0.002953 0.129052 7.416700\nH Pt O\n16 2 12\ndirect\n0.106211 0.604940 0.841292 H\n0.963643 0.947694 0.484273 H\n0.150683 0.154210 0.713549 H\n0.046295 0.031855 0.985507 H\n0.394788 0.758257 0.603187 H\n0.782503 0.366830 0.097685 H\n0.520443 0.455889 0.508169 H\n0.462911 0.517709 0.004742 H\n0.834665 0.842665 0.210236 H\n0.515250 0.144625 0.335577 H\n0.214512 0.572540 0.115120 H\n0.111703 0.253646 0.258360 H\n0.737360 0.885081 0.749727 H\n0.613367 0.188000 0.610514 H\n0.829221 0.471670 0.843353 H\n0.377256 0.867750 0.350025 H\n-0.001443 0.494480 0.506430 Pt\n0.499288 -0.004689 0.005930 Pt\n0.132429 0.170168 0.576713 O\n0.187201 0.142477 0.926965 O\n0.346946 0.656207 0.498122 O\n0.659201 0.345866 0.995830 O\n0.644116 0.323675 0.504101 O\n0.581904 0.961247 0.746705 O\n0.396512 0.030857 0.267041 O\n0.037101 0.410877 0.249311 O\n0.950963 0.591633 0.765715 O\n0.817906 0.855203 0.073556 O\n0.327823 0.639393 0.007730 O\n0.856470 0.812037 0.425528 O\n",
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"structure_string": "Cr1 H5 O4\n1.0\n3.052957 0.000000 0.000000\n0.000000 4.259163 0.789393\n0.000000 -0.052123 5.633101\nCr H O\n1 5 4\ndirect\n0.500000 0.953235 0.543574 Cr\n0.256602 0.376340 0.795049 H\n0.743399 0.376340 0.795049 H\n0.500000 0.938999 0.076968 H\n0.000000 0.428502 0.466284 H\n0.500000 0.567623 0.205330 H\n0.000000 0.685117 0.678976 O\n0.000000 0.229791 0.398485 O\n0.500000 0.210077 0.826013 O\n0.500000 0.785175 0.231335 O\n",
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{
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"structure_string": "H16 Pt2 O12\n1.0\n4.059024 3.639168 -0.325230\n-4.080716 3.655979 0.194353\n-0.001727 -0.123622 7.416276\nH Pt O\n16 2 12\ndirect\n0.177961 0.613694 0.887457 H\n0.832539 0.834972 0.287699 H\n0.021679 0.046652 0.512424 H\n0.144125 0.151009 0.784381 H\n0.356726 0.782832 0.400274 H\n0.461549 0.829581 0.654594 H\n0.748164 0.395147 0.894717 H\n0.507560 0.463262 0.493201 H\n0.937601 0.964035 0.013685 H\n0.562371 0.214911 0.382763 H\n0.243470 0.111965 0.239558 H\n0.134538 0.515599 0.162366 H\n0.857634 0.377632 0.147904 H\n0.874956 0.737620 0.748270 H\n0.594881 0.106528 0.656586 H\n0.445843 0.520800 -0.010232 H\n0.985175 0.499634 0.492016 Pt\n0.484392 -0.001078 -0.008498 Pt\n0.132287 0.187548 0.570977 O\n0.160128 0.132814 0.921236 O\n0.335738 0.659539 0.502138 O\n0.646108 0.347305 -0.000198 O\n0.629244 0.328197 0.490163 O\n0.581545 0.951311 0.732193 O\n0.400743 0.037469 0.248631 O\n0.020714 0.396886 0.230893 O\n0.951143 0.582201 0.751269 O\n0.801913 0.856831 0.072391 O\n0.313622 0.644461 -0.006147 O\n0.845128 0.818252 0.424392 O\n",
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"created_at": "2022-09-04T14:37:56.204651Z",
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"structure_string": "Al4 H12 O12\n1.0\n5.046184 0.000000 0.653385\n0.000000 8.706653 0.000000\n0.588161 0.000000 4.752855\nAl H O\n4 12 12\ndirect\n0.045451 0.333994 0.970986 Al\n0.454548 0.833994 0.029015 Al\n0.545451 0.166006 0.970985 Al\n0.954547 0.666006 0.029014 Al\n0.771638 0.181060 0.388796 H\n0.875225 0.958500 0.785919 H\n0.726924 0.883434 0.394675 H\n0.624773 0.458501 0.214080 H\n0.728360 0.681060 0.611204 H\n0.773075 0.383434 0.605325 H\n0.375226 0.541499 0.785920 H\n0.273075 0.116566 0.605326 H\n0.226924 0.616565 0.394675 H\n0.124774 0.041499 0.214081 H\n0.228361 0.818939 0.611204 H\n0.271639 0.318939 0.388797 H\n0.697989 0.802575 0.261779 O\n0.802010 0.302575 0.738221 O\n0.677048 0.669349 0.821746 O\n0.688016 0.981535 0.773784 O\n0.311983 0.018465 0.226216 O\n0.302010 0.197425 0.738222 O\n0.197989 0.697424 0.261779 O\n0.177048 0.830650 0.821747 O\n0.188017 0.518465 0.773784 O\n0.822951 0.169349 0.178253 O\n0.322951 0.330650 0.178254 O\n0.811982 0.481535 0.226216 O\n",
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"structure_string": "Al4 H12 O12\n1.0\n4.750592 0.613161 0.000000\n0.628651 5.049414 0.000000\n0.000000 0.000000 8.706833\nAl H O\n4 12 12\ndirect\n0.029016 0.954581 0.666005 Al\n0.970983 0.545418 0.166005 Al\n0.970983 0.045418 0.333995 Al\n0.029016 0.454582 0.833995 Al\n0.214207 0.624737 0.458535 H\n0.394635 0.726858 0.883422 H\n0.605364 0.773141 0.383422 H\n0.388724 0.271527 0.318996 H\n0.611275 0.728472 0.681004 H\n0.388724 0.771527 0.181004 H\n0.214207 0.124738 0.041465 H\n0.785793 0.375262 0.541464 H\n0.605364 0.273141 0.116577 H\n0.785793 0.875262 0.958535 H\n0.394635 0.226859 0.616577 H\n0.611275 0.228472 0.818996 H\n0.261753 0.697946 0.802576 O\n0.821800 0.177137 0.830641 O\n0.773760 0.688029 0.981544 O\n0.178199 0.322863 0.330641 O\n0.738247 0.802053 0.302576 O\n0.738247 0.302053 0.197424 O\n0.226240 0.311970 0.018455 O\n0.226240 0.811969 0.481545 O\n0.178199 0.822862 0.169359 O\n0.261753 0.197946 0.697424 O\n0.821800 0.677137 0.669359 O\n0.773760 0.188030 0.518455 O\n",
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{
"id": "jvasp-38881",
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{
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