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{
"id": "jvasp-112135",
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"structure_string": "Zn1 H18 C11 O4\n1.0\n4.088383 0.144292 0.434496\n1.239432 4.274930 0.452984\n0.486638 0.221650 15.694326\nZn H C O\n1 18 11 4\ndirect\n0.074529 -0.008742 0.156887 Zn\n0.055169 0.762383 0.493711 H\n0.219304 0.282194 0.410305 H\n0.795853 0.217939 0.927851 H\n0.721958 0.241255 0.725446 H\n0.122654 0.164908 0.765685 H\n0.991134 0.245853 0.568868 H\n0.404041 0.155373 0.603551 H\n0.476575 0.654973 0.523904 H\n0.418531 0.268506 0.879103 H\n0.179630 0.827324 0.931004 H\n0.544311 0.751209 0.985025 H\n0.503542 0.760761 0.791894 H\n0.898185 0.683052 0.834517 H\n0.794478 0.746275 0.644825 H\n0.203603 0.654076 0.681357 H\n0.287022 0.816856 0.342807 H\n0.727021 0.668614 0.361348 H\n0.645137 0.174855 0.438082 H\n0.199020 0.507603 0.042271 C\n0.378550 0.633988 0.962121 C\n0.583053 0.396958 0.897349 C\n0.720737 0.566878 0.816668 C\n0.899436 0.357428 0.743361 C\n0.415930 0.379275 0.426477 C\n0.176854 0.354186 0.586118 C\n0.280872 0.556158 0.507798 C\n0.504001 0.598822 0.349867 C\n0.590565 0.449855 0.264873 C\n0.017897 0.546103 0.663939 C\n0.289973 0.208173 0.060551 O\n0.832368 0.180851 0.262180 O\n0.430333 0.583234 0.200735 O\n0.962252 0.701600 0.087329 O\n",
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{
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"structure_string": "H12 C20 S2\n1.0\n3.872408 -0.201292 -0.178256\n-2.260916 5.974279 -0.880971\n0.050157 -0.142653 14.647069\nH C S\n12 20 2\ndirect\n0.232606 0.815177 0.004202 H\n0.900558 0.351625 0.403655 H\n0.580335 0.623125 0.692093 H\n0.508815 0.511892 0.353413 H\n0.723383 0.167726 0.096388 H\n0.392808 0.704323 0.496045 H\n0.116093 0.007539 0.146785 H\n0.845689 0.000448 0.969992 H\n0.045694 0.896487 0.808195 H\n0.779940 0.519091 0.530251 H\n0.014470 0.160133 0.260852 H\n0.608894 0.359144 0.239141 H\n0.381743 0.263376 0.705553 C\n0.812561 0.166683 0.393266 C\n0.026453 0.822755 0.137277 C\n0.543512 0.450219 0.661650 C\n0.879104 0.056362 0.311686 C\n0.094408 0.713143 0.055592 C\n0.648259 0.393180 0.573738 C\n0.636299 0.044915 0.462556 C\n0.848728 0.701735 0.206661 C\n0.568296 0.162013 0.547670 C\n0.811628 0.352691 0.106819 C\n0.988458 0.474524 0.037600 C\n0.530534 0.806309 0.444596 C\n0.744800 0.462968 0.188370 C\n0.598216 0.696655 0.362883 C\n0.243713 0.256178 0.794678 C\n0.056800 0.357478 0.952522 C\n0.082160 0.069349 0.838601 C\n0.977208 0.126352 0.926490 C\n0.775478 0.817622 0.293439 C\n0.265020 0.504564 0.864956 S\n0.360004 0.014936 0.635231 S\n",
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{
"id": "jvasp-112136",
"created_at": "2022-09-04T14:38:44.870649Z",
"updated_at": "2022-09-04T14:38:44.870682Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.371457 -0.014054 -0.030291\n-2.071438 4.366397 -0.595797\n-0.113023 -0.312230 14.219866\nZn H C O\n1 18 11 4\ndirect\n0.270029 0.768199 0.838084 Zn\n0.440913 0.922785 0.548663 H\n0.911631 0.458032 0.582178 H\n0.070849 0.702428 0.057027 H\n0.162666 0.028185 0.260183 H\n0.457895 0.897329 0.214511 H\n0.543147 0.249879 0.418340 H\n0.826092 0.106054 0.371349 H\n0.724197 0.781799 0.500985 H\n0.753285 0.792891 0.107870 H\n0.361304 0.207543 0.080883 H\n0.670425 0.152239 0.014712 H\n0.710287 0.474272 0.234080 H\n0.008219 0.357469 0.182431 H\n0.069622 0.712102 0.391068 H\n0.353808 0.568970 0.344527 H\n0.090988 -0.033839 0.648938 H\n0.325121 0.368032 0.690253 H\n0.191008 0.327557 0.524885 H\n0.406398 0.367952 0.950098 C\n0.572050 0.322488 0.037247 C\n0.844109 0.612960 0.096770 C\n0.937008 0.551052 0.193355 C\n0.225885 0.829886 0.252829 C\n0.969542 0.257505 0.567447 C\n0.596443 0.045997 0.410652 C\n0.669644 0.985046 0.509267 C\n0.074828 0.186864 0.661942 C\n0.822695 0.166113 0.735356 C\n0.299567 0.772362 0.351907 C\n0.459492 0.642402 0.942259 O\n0.841959 0.409052 0.788100 O\n0.584358 0.898715 0.737791 O\n0.206462 0.133727 0.890995 O\n",
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{
"id": "jvasp-22882",
"created_at": "2022-09-04T14:37:47.904171Z",
"updated_at": "2022-09-04T14:37:47.904192Z",
"structure_string": "Ba8 Ru6 O20\n1.0\n5.789395 0.000000 0.000000\n-2.894698 6.731710 -0.000000\n0.000000 0.000000 13.091076\nBa Ru O\n8 6 20\ndirect\n0.239935 0.479870 0.888272 Ba\n0.038769 0.077538 0.638344 Ba\n0.961232 0.922462 0.361656 Ba\n0.461231 0.922462 0.138344 Ba\n0.760065 0.520130 0.111728 Ba\n0.739935 0.479870 0.611729 Ba\n0.260065 0.520130 0.388272 Ba\n0.538769 0.077538 0.861657 Ba\n0.000000 0.000000 0.000000 Ru\n0.877512 0.755023 0.848916 Ru\n0.122488 0.244977 0.151084 Ru\n0.622488 0.244977 0.348916 Ru\n0.377512 0.755023 0.651085 Ru\n0.500000 0.000000 0.500000 Ru\n0.628601 0.757200 0.750000 O\n0.963239 0.926477 0.152336 O\n0.036761 0.073523 0.847664 O\n0.231925 0.463849 0.647477 O\n0.128600 0.757200 0.750000 O\n0.463239 0.926477 0.347664 O\n0.536762 0.073523 0.652336 O\n0.119006 0.780866 0.965458 O\n0.338140 0.219134 0.034542 O\n0.380994 0.219134 0.465458 O\n0.161860 0.780866 0.534542 O\n0.880995 0.219134 0.034542 O\n0.661861 0.780866 0.965458 O\n0.619006 0.780866 0.534542 O\n0.838140 0.219134 0.465458 O\n0.731926 0.463849 0.852524 O\n0.268075 0.536151 0.147476 O\n0.768075 0.536151 0.352524 O\n0.371400 0.242800 0.250000 O\n0.871400 0.242800 0.250000 O\n",
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{
"id": "jvasp-112138",
"created_at": "2022-09-04T14:38:44.966254Z",
"updated_at": "2022-09-04T14:38:44.966280Z",
"structure_string": "Zn1 H18 C11 O4\n1.0\n4.401702 0.022215 0.796034\n-2.295212 4.335555 -1.082941\n0.111321 -0.235885 14.188396\nZn H C O\n1 18 11 4\ndirect\n0.157405 0.228545 0.160638 Zn\n0.067954 0.019081 0.539938 H\n0.601104 0.561661 0.449759 H\n0.010918 0.238168 0.925277 H\n0.129066 0.162898 0.697790 H\n0.903042 0.867711 0.768332 H\n0.780819 0.512624 0.605260 H\n0.106478 0.426405 0.538839 H\n0.376852 0.914270 0.471948 H\n0.209131 0.543412 0.858032 H\n0.727052 0.791830 0.947198 H\n0.582318 0.458537 0.001129 H\n0.655453 0.360466 0.783141 H\n0.445490 0.057394 0.851617 H\n0.546513 0.937990 0.631489 H\n0.294711 0.638030 0.699343 H\n0.955395 0.082066 0.386257 H\n0.205183 0.926443 0.309932 H\n0.901435 0.446022 0.381178 H\n0.302062 0.716984 0.056012 C\n0.499092 0.597988 0.974210 C\n0.260246 0.395763 0.892451 C\n0.402258 0.206639 0.815594 C\n0.160662 0.010029 0.735202 C\n0.870416 0.649041 0.419775 C\n0.052981 0.618603 0.576603 C\n0.106726 0.818500 0.502453 C\n0.947261 0.861700 0.347739 C\n0.699884 0.736416 0.270319 C\n0.281859 0.799203 0.661125 C\n0.092231 0.539223 0.115398 O\n0.726829 0.911398 0.213152 O\n0.463217 0.458926 0.266732 O\n0.336523 -0.014047 0.057340 O\n",
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{
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"structure_string": "Na4 Ta8 O22\n1.0\n6.071851 0.004037 11.316960\n2.847315 5.362852 11.316960\n0.006710 0.004037 12.842932\nNa Ta O\n4 8 22\ndirect\n0.833729 0.833731 0.833730 Na\n0.166270 0.166270 0.166270 Na\n0.333730 0.333730 0.333730 Na\n0.666269 0.666271 0.666270 Na\n0.249999 0.613885 0.886116 Ta\n0.113884 0.750000 0.386116 Ta\n0.499999 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.886115 0.250001 0.613884 Ta\n0.386115 0.113885 0.750000 Ta\n0.613883 0.886116 0.250001 Ta\n0.749999 0.386116 0.113885 Ta\n0.501215 0.750001 0.998784 O\n0.593920 0.593921 0.593921 O\n0.906078 0.906080 0.906079 O\n0.406078 0.406079 0.406079 O\n0.093921 0.093921 0.093921 O\n0.747119 0.438934 0.222140 O\n0.498784 0.250000 0.001216 O\n0.250000 0.001216 0.498784 O\n0.001215 0.498784 0.250000 O\n0.247119 0.722140 0.938934 O\n0.938933 0.247121 0.722140 O\n0.722139 0.938934 0.247121 O\n0.777859 0.252881 0.561066 O\n0.561066 0.777860 0.252881 O\n0.252879 0.561067 0.777860 O\n0.752880 0.277860 0.061067 O\n0.061066 0.752880 0.277861 O\n0.277860 0.061067 0.752880 O\n0.222139 0.747120 0.438934 O\n0.438933 0.222141 0.747120 O\n0.998783 0.501217 0.750000 O\n0.749999 0.998784 0.501216 O\n",
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{
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"structure_string": "Cd1 H18 C11 O4\n1.0\n3.819669 0.064400 0.186068\n0.762545 4.297714 0.307606\n0.176794 0.019628 15.959239\nCd H C O\n1 18 11 4\ndirect\n0.121267 0.085517 0.853915 Cd\n0.715342 0.369603 0.482329 H\n0.507913 0.844469 0.564669 H\n0.648126 0.884868 0.130242 H\n-0.016344 0.898675 0.249246 H\n0.416396 0.877176 0.283955 H\n0.747502 0.890322 0.406166 H\n0.184509 0.860366 0.439142 H\n0.151355 0.341179 0.514965 H\n0.229038 0.878692 0.091322 H\n0.472665 0.369519 0.026937 H\n0.888590 0.355288 0.069093 H\n0.193259 0.388011 0.180239 H\n0.623994 0.373113 0.214674 H\n0.942013 0.393200 0.331250 H\n0.377826 0.364173 0.364272 H\n0.521062 0.298345 0.632489 H\n0.950454 0.285795 0.664513 H\n0.946979 0.825096 0.596108 H\n0.766567 0.687910 0.966566 C\n0.651770 0.517148 0.046035 C\n0.472293 0.727159 0.114998 C\n0.381107 0.536247 0.194759 C\n0.225816 0.732983 0.268425 C\n0.759777 0.682708 0.578035 C\n0.990439 0.720785 0.422896 C\n0.906648 0.510803 0.499396 C\n0.700552 0.448755 0.650760 C\n0.536331 0.571974 0.733386 C\n0.136173 0.534046 0.346742 C\n0.603779 0.965980 0.946079 O\n0.594868 0.387088 0.799611 O\n0.333637 0.839659 0.733817 O\n0.037422 0.562211 0.922152 O\n",
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"structure_string": "H14 C16 N2 O2\n1.0\n5.677266 -0.001105 -1.457931\n-2.296212 7.139285 -1.188756\n-0.023865 -0.062967 7.404979\nH C N O\n14 16 2 2\ndirect\n0.060845 0.253011 0.027801 H\n0.902740 0.418713 0.371465 H\n0.695314 0.486402 0.199894 H\n0.709776 0.736862 0.060431 H\n0.331918 0.557301 0.995817 H\n0.652819 0.685998 0.429204 H\n0.604336 0.759184 0.723331 H\n0.211625 0.560532 0.652125 H\n0.141911 0.985926 0.503978 H\n0.169577 0.229642 0.365354 H\n0.658389 0.044702 0.949161 H\n0.766916 0.022419 0.289569 H\n0.117172 0.190198 0.735142 H\n0.338887 0.908129 0.671486 H\n0.172260 0.601348 0.935566 C\n0.087271 0.623499 0.251035 C\n0.821335 0.699070 0.972117 C\n0.761244 0.712552 0.783704 C\n0.866306 0.540616 0.321469 C\n0.029597 0.644419 0.053573 C\n0.896167 0.658179 0.662486 C\n0.104269 0.602011 0.742498 C\n0.351105 0.150151 0.964716 C\n0.276564 0.188207 0.274482 C\n0.216883 0.204380 0.086664 C\n0.314830 0.033689 0.623408 C\n0.477367 0.124501 0.351846 C\n0.613662 0.074408 0.231302 C\n0.551624 0.084347 0.040787 C\n0.536038 0.104334 0.549932 C\n0.281960 0.162724 0.776833 N\n0.820381 0.662827 0.472666 N\n0.749686 0.124296 0.651350 O\n0.301941 0.651019 0.356340 O\n",
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{
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