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{
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{
"id": "jvasp-97436",
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"structure_string": "Al6 Pb10 F38\n1.0\n6.851581 0.000671 2.403264\n3.342883 10.074375 1.141066\n-0.019958 -0.000714 10.709258\nAl Pb F\n6 10 38\ndirect\n0.246454 0.997958 0.003637 Al\n0.672967 0.483588 0.168223 Al\n0.837981 0.833513 0.481716 Al\n0.327032 0.516412 0.831778 Al\n0.753545 0.002042 0.996364 Al\n0.162018 0.166487 0.518285 Al\n0.240723 0.536646 0.476414 Pb\n0.558716 0.153356 0.726088 Pb\n0.922402 0.327012 0.844068 Pb\n0.283398 0.275635 0.157121 Pb\n0.441283 0.846644 0.273913 Pb\n0.253025 0.843775 0.672528 Pb\n0.077597 0.672988 0.155932 Pb\n0.716601 0.724365 0.842879 Pb\n0.759277 0.463354 0.523587 Pb\n0.746974 0.156225 0.327472 Pb\n0.858066 0.938747 0.827738 F\n0.217754 0.995161 0.474149 F\n0.621464 0.811727 0.617399 F\n0.876034 0.540160 0.705114 F\n0.000000 0.000000 0.000000 F\n0.418508 0.653403 0.843269 F\n0.930888 0.367616 0.125209 F\n0.928928 0.167846 0.654548 F\n0.141933 0.061253 0.172263 F\n0.309065 0.106750 0.632511 F\n0.690934 0.893250 0.367489 F\n0.591986 0.399165 0.778348 F\n0.378535 0.188272 0.382601 F\n0.500000 -0.000000 -0.000000 F\n0.581491 0.346597 0.156732 F\n0.994876 0.768773 0.594168 F\n0.408013 0.600835 0.221653 F\n0.368210 0.562917 0.656787 F\n0.203997 0.164946 0.939392 F\n0.631789 0.437083 0.343213 F\n0.426178 0.709962 0.458223 F\n0.071072 0.832154 0.345453 F\n0.754896 0.618489 0.196862 F\n0.894899 0.662060 0.431790 F\n0.294213 0.474692 0.005359 F\n0.691573 0.170467 0.933825 F\n0.796002 0.835054 0.060608 F\n0.069111 0.632384 0.874792 F\n0.632188 0.066565 0.162549 F\n0.705787 0.525307 0.994641 F\n0.308426 0.829533 0.066175 F\n0.782245 0.004839 0.525852 F\n0.105100 0.337940 0.568210 F\n0.573821 0.290037 0.541777 F\n0.367811 0.933435 0.837452 F\n0.123965 0.459840 0.294886 F\n0.245104 0.381511 0.803139 F\n0.005123 0.231227 0.405833 F\n",
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{
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"structure_string": "H28 C16 O10\n1.0\n6.239957 -0.000003 -0.239309\n-0.000003 6.151003 -0.000003\n-0.025027 -0.000006 10.765488\nH C O\n28 16 10\ndirect\n0.041979 0.749665 0.792703 H\n0.677868 0.864068 0.198492 H\n0.496000 0.221182 0.450485 H\n0.504003 0.721181 0.549515 H\n0.646699 0.332770 0.326652 H\n0.353303 0.832767 0.673348 H\n0.501669 0.508465 0.423029 H\n0.498333 0.008464 0.576972 H\n0.395297 0.295375 -0.002775 H\n0.604706 0.795374 0.002775 H\n0.560326 0.427821 0.116058 H\n0.439677 0.927819 0.883943 H\n0.668499 0.216541 0.022854 H\n0.331504 0.716540 0.977146 H\n0.322133 0.364067 0.801509 H\n0.121796 0.355323 0.506843 H\n0.958023 0.249667 0.207298 H\n0.878206 0.855324 0.493158 H\n0.090279 0.264795 0.063451 H\n0.591204 0.351384 0.680767 H\n0.408799 0.851385 0.319233 H\n0.909722 0.764795 0.936549 H\n0.169760 0.665202 0.169672 H\n0.046438 0.079423 0.659226 H\n0.953563 0.579423 0.340774 H\n0.164278 0.558138 0.625536 H\n0.835723 0.058139 0.374464 H\n0.830243 0.165202 0.830329 H\n0.501090 0.348632 0.379404 C\n0.498912 0.848631 0.620596 C\n0.525052 0.274055 0.067783 C\n0.474951 0.774054 0.932218 C\n0.930357 0.913748 0.403093 C\n0.069644 0.413748 0.596907 C\n0.916943 0.740124 0.300823 C\n0.083059 0.240124 0.699177 C\n0.901413 0.305775 0.785119 C\n0.255846 0.934149 0.300202 C\n0.744157 0.434148 0.699799 C\n0.288030 0.150150 0.227487 C\n0.711972 0.650148 0.772513 C\n0.078546 0.171646 0.149627 C\n0.921456 0.671646 0.850374 C\n0.098590 0.805775 0.214881 C\n0.018277 0.952391 0.117487 O\n0.981725 0.452391 0.882513 O\n0.312125 0.341361 0.298501 O\n0.687877 0.841360 0.701500 O\n0.712806 0.723509 0.238222 O\n0.528906 0.605595 0.844569 O\n0.287197 0.223508 0.761778 O\n0.844646 0.467009 0.582632 O\n0.471097 0.105596 0.155431 O\n0.155355 0.967009 0.417368 O\n",
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{
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"structure_string": "P6 H22 N8 O18\n1.0\n7.945088 0.085809 -1.688498\n0.139327 7.708887 -2.070497\n0.023084 -0.013818 8.457747\nP H N O\n6 22 8 18\ndirect\n0.711991 0.164311 0.463008 P\n0.288009 0.835689 0.536991 P\n0.996140 0.689140 0.296956 P\n0.003860 0.310861 0.703044 P\n0.811751 0.965484 0.148319 P\n0.188249 0.034517 0.851680 P\n0.484857 0.248267 0.946062 H\n0.581867 0.240245 0.787247 H\n0.418133 0.759755 0.212752 H\n0.339245 0.505339 0.901416 H\n0.660755 0.494661 0.098584 H\n0.234722 0.703639 0.932500 H\n0.765278 0.296361 0.067500 H\n0.226581 0.570472 0.057532 H\n0.773419 0.429529 0.942468 H\n0.243626 0.361139 0.521856 H\n0.515143 0.751733 0.053938 H\n0.584397 0.661234 0.581942 H\n0.415603 0.338766 0.418058 H\n0.771024 0.558010 0.654202 H\n0.228977 0.441991 0.345797 H\n0.914672 0.817078 0.736619 H\n0.085328 0.182922 0.263380 H\n0.739206 0.839210 0.821658 H\n0.260794 0.160791 0.178342 H\n0.263113 0.073232 0.348501 H\n0.756375 0.638861 0.478144 H\n0.736888 0.926768 0.651498 H\n0.454829 0.678921 0.108188 N\n0.304076 0.611555 0.990806 N\n0.695925 0.388445 0.009193 N\n0.545172 0.321079 0.891812 N\n0.718727 0.657387 0.595454 N\n0.781845 0.819628 0.705569 N\n0.218155 0.180372 0.294431 N\n0.281273 0.342614 0.404546 N\n0.884172 0.129531 0.140580 O\n0.115829 0.870469 0.859420 O\n0.882412 0.442992 0.782176 O\n0.117588 0.557009 0.217824 O\n0.168936 0.367721 0.687484 O\n0.831064 0.632279 0.312516 O\n0.337017 0.902997 0.403988 O\n0.662983 0.097003 0.596012 O\n0.386988 0.686648 0.590222 O\n0.028221 0.157246 0.798884 O\n0.971779 0.842754 0.201115 O\n0.282431 -0.000338 0.694874 O\n0.717569 0.000338 0.305126 O\n0.088414 0.788671 0.483762 O\n0.911586 0.211330 0.516237 O\n0.694161 0.864294 -0.000173 O\n0.613013 0.313353 0.409778 O\n0.305840 0.135707 0.000172 O\n",
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{
"id": "jvasp-24284",
"created_at": "2022-09-04T14:38:20.160484Z",
"updated_at": "2022-09-04T14:38:20.160506Z",
"structure_string": "Rb8 Al8 B8 O28\n1.0\n0.000000 8.863194 -0.095884\n7.627686 0.000000 0.000000\n0.000000 -2.761907 -11.499283\nRb Al B O\n8 8 8 28\ndirect\n0.970605 0.357053 0.874696 Rb\n0.029394 0.857054 0.625304 Rb\n0.544204 0.864615 0.144881 Rb\n0.455795 0.364615 0.355119 Rb\n0.544204 0.635386 0.644880 Rb\n0.029394 0.642947 0.125304 Rb\n0.970605 0.142947 0.374696 Rb\n0.455795 0.135385 0.855119 Rb\n0.656474 0.125637 0.621029 Al\n0.814939 0.915130 0.864565 Al\n0.185060 0.084870 0.135435 Al\n0.185060 0.415130 0.635435 Al\n0.343525 0.625637 0.878970 Al\n0.656474 0.374364 0.121029 Al\n0.343525 0.874364 0.378970 Al\n0.814939 0.584871 0.364565 Al\n0.313877 0.390573 0.065318 B\n0.158676 0.917728 0.908745 B\n0.686122 0.890573 0.434682 B\n0.841323 0.082272 0.091255 B\n0.158677 0.582272 0.408745 B\n0.313877 0.109427 0.565317 B\n0.841323 0.417728 0.591255 B\n0.686122 0.609428 0.934682 B\n0.761245 0.322538 0.658404 O\n0.280297 0.541541 0.000770 O\n0.238754 0.822538 0.841595 O\n0.804602 0.686455 0.892999 O\n0.234877 0.969732 0.018009 O\n0.719702 0.041541 0.499230 O\n0.991869 0.033605 0.138985 O\n0.238754 0.677463 0.341595 O\n0.195396 0.186454 0.607000 O\n0.458331 0.185640 0.588131 O\n0.008130 0.966396 0.861015 O\n0.690626 0.524687 0.234716 O\n0.761245 0.177462 0.158404 O\n0.804603 0.813546 0.392999 O\n0.458331 0.314360 0.088132 O\n0.765122 0.469732 0.481991 O\n0.765122 0.030269 0.981991 O\n0.195397 0.313546 0.107000 O\n0.991869 0.466396 0.638985 O\n0.541668 0.814360 0.411868 O\n0.008130 0.533605 0.361015 O\n0.719702 0.458459 -0.000770 O\n0.309373 0.024687 0.265284 O\n0.280297 0.958460 0.500770 O\n0.309373 0.475314 0.765284 O\n0.234877 0.530269 0.518008 O\n0.541668 0.685640 0.911868 O\n0.690626 0.975314 0.734716 O\n",
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{
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"structure_string": "K2 B10 H16 O24\n1.0\n11.007103 0.000000 0.000000\n0.000000 5.600404 4.371906\n0.000000 -5.600404 4.371906\nK B H O\n2 10 16 24\ndirect\n0.500000 0.487362 0.487362 K\n0.000000 0.987362 0.987362 K\n0.206978 0.433900 0.547832 B\n0.793022 0.547832 0.433900 B\n0.706977 0.047832 0.933900 B\n0.191630 0.393330 0.203793 B\n0.293022 0.933900 0.047832 B\n0.308369 0.893331 0.703793 B\n0.691630 0.703793 0.893331 B\n0.000000 0.393995 0.393995 B\n0.500000 0.893995 0.893995 B\n0.808369 0.203793 0.393330 B\n0.341956 0.395680 0.050018 H\n0.252351 0.443896 0.824635 H\n0.747649 0.824635 0.443896 H\n0.752350 0.324636 0.943895 H\n0.158044 0.895680 0.550019 H\n0.841955 0.550019 0.895680 H\n0.658044 0.050018 0.395680 H\n0.247649 0.943895 0.324636 H\n0.024131 0.509164 0.799312 H\n0.524131 0.299312 0.009164 H\n0.475869 0.009164 0.299312 H\n0.988067 0.022242 0.501985 H\n0.011933 0.501985 0.022242 H\n0.511932 0.522241 0.001985 H\n0.488067 0.001985 0.522241 H\n0.975869 0.799312 0.509164 H\n0.249589 0.880436 0.531580 O\n0.749589 0.031580 0.380435 O\n0.250411 0.380435 0.031580 O\n0.785534 0.200115 0.961961 O\n0.285534 0.461961 0.700115 O\n0.714465 0.700115 0.461961 O\n0.750411 0.531580 0.880436 O\n0.514342 0.072934 0.425410 O\n0.485658 0.425410 0.072934 O\n0.214465 0.961961 0.200115 O\n0.262110 0.419933 0.369268 O\n0.083320 0.423033 0.562832 O\n0.237890 0.919934 0.869268 O\n0.762110 0.869268 0.919934 O\n0.916679 0.562832 0.423033 O\n0.416680 0.923033 0.062833 O\n0.583320 0.062833 0.923033 O\n0.067723 0.380344 0.210019 O\n0.932277 0.210019 0.380344 O\n0.432277 0.880345 0.710020 O\n0.567723 0.710020 0.880345 O\n0.985658 0.572934 0.925411 O\n0.737890 0.369268 0.419933 O\n0.014342 0.925411 0.572934 O\n",
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{
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"structure_string": "K2 Zr1 Cd1 H16 C8 O24\n1.0\n-5.643267 5.643267 4.348085\n5.643267 -5.643267 4.348085\n5.643267 5.643267 -4.348085\nK Zr Cd H C O\n2 1 1 16 8 24\ndirect\n0.499999 0.499999 0.000000 K\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 Zr\n0.000000 0.000000 0.000000 Cd\n0.995852 0.150197 0.667379 H\n0.482819 0.328473 0.332621 H\n0.849802 0.517181 0.845654 H\n0.671527 0.004148 0.154346 H\n0.139266 0.220657 0.580775 H\n0.639882 0.558491 0.419226 H\n0.779343 0.360118 0.918609 H\n0.441508 0.860734 0.081391 H\n0.811926 0.892918 0.422840 H\n0.470079 0.389087 0.577161 H\n0.107082 0.529922 0.919008 H\n0.610913 0.188073 0.080992 H\n0.583153 0.750919 0.352043 H\n0.398877 0.231111 0.647958 H\n0.249081 0.601124 0.832234 H\n0.768889 0.416846 0.167766 H\n0.229982 0.953889 0.276021 C\n0.677867 0.953961 0.723979 C\n0.046039 0.770018 0.723907 C\n0.046111 0.322132 0.276094 C\n0.558742 0.795921 0.777952 C\n0.219209 0.441258 0.237179 C\n0.204079 0.982031 0.762821 C\n0.017969 0.780790 0.222049 C\n0.851891 0.411851 0.852815 O\n0.559037 -0.000924 0.147186 O\n0.694459 0.754086 0.358935 O\n0.395152 0.335525 0.641066 O\n0.245914 0.604848 0.940373 O\n0.664475 0.305540 0.059627 O\n0.352872 0.969351 0.394249 O\n0.575103 0.958624 0.605752 O\n0.030649 0.424897 0.383522 O\n0.041376 0.647127 0.616479 O\n0.268137 0.064562 0.205111 O\n0.935438 0.140548 0.203575 O\n0.936974 0.731863 0.796426 O\n0.886056 0.748662 0.106375 O\n0.642287 0.779682 0.893625 O\n0.251337 0.357713 0.137395 O\n0.220319 0.113943 0.862606 O\n-0.002783 0.678977 0.306553 O\n0.372424 0.690665 0.693448 O\n0.321023 0.627576 0.318241 O\n0.309336 0.002783 0.681760 O\n0.588148 0.440962 0.440039 O\n0.859452 0.063026 0.794890 O\n0.000924 0.148110 0.559961 O\n",
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{
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