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{
"id": "jvasp-22949",
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"structure_string": "Ba2 Li2 B18 O30\n1.0\n8.431585 0.003072 1.440367\n1.215687 8.343486 1.440367\n0.003551 0.003072 8.553729\nBa Li B O\n2 2 18 30\ndirect\n0.995741 0.995740 0.995741 Ba\n0.495741 0.495740 0.495741 Ba\n0.234384 0.234384 0.234384 Li\n0.734385 0.734384 0.734385 Li\n0.252148 0.679256 0.820446 B\n0.746845 0.610961 0.078283 B\n0.679256 0.820445 0.252148 B\n0.422597 0.890707 0.752716 B\n0.752716 0.422596 0.890708 B\n0.890708 0.752715 0.422597 B\n0.390708 0.922597 0.252716 B\n0.252716 0.390707 0.922597 B\n0.179256 0.752148 0.320445 B\n0.610961 0.078282 0.746845 B\n0.078283 0.746845 0.610961 B\n0.820446 0.252147 0.679256 B\n0.578283 0.110961 0.246845 B\n0.246845 0.578283 0.110961 B\n0.110961 0.246845 0.578283 B\n0.922597 0.252715 0.390708 B\n0.320445 0.179255 0.752148 B\n0.752148 0.320445 0.179256 B\n0.510041 0.798010 0.275068 O\n0.010040 0.775068 0.298010 O\n0.775068 0.298009 0.010041 O\n0.298010 0.010040 0.775068 O\n0.080654 0.247318 0.421136 O\n0.247319 0.421136 0.080654 O\n0.921136 0.747318 0.580655 O\n0.747319 0.580654 0.921136 O\n0.580655 0.921136 0.747319 O\n0.202062 0.729927 0.489540 O\n0.260224 0.601323 0.261030 O\n0.275068 0.510040 0.798010 O\n0.421136 0.080654 0.247319 O\n0.798010 0.275067 0.510041 O\n0.989540 0.229926 0.702062 O\n0.601323 0.261029 0.260224 O\n0.738417 0.402258 0.739917 O\n0.402258 0.739916 0.738417 O\n0.739917 0.738416 0.402259 O\n0.239917 0.902258 0.238417 O\n0.902259 0.238416 0.239917 O\n0.238416 0.239916 0.902258 O\n0.229927 0.702062 0.989540 O\n0.101323 0.760224 0.761030 O\n0.729927 0.489539 0.202062 O\n0.489540 0.202061 0.729927 O\n0.761030 0.101322 0.760224 O\n0.760225 0.761030 0.101323 O\n0.261030 0.260224 0.601323 O\n0.702062 0.989540 0.229927 O\n",
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{
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"structure_string": "Li8 B16 O28\n1.0\n7.836370 -0.015906 -3.129801\n-4.235905 6.965283 -2.178658\n-0.009673 0.015906 8.438262\nLi B O\n8 16 28\ndirect\n0.686508 0.681563 0.696745 Li\n0.515183 0.446745 0.260237 Li\n0.313493 0.010238 0.995055 Li\n0.484818 0.745055 -0.068437 Li\n-0.015182 0.181563 0.495055 Li\n0.015183 0.510237 0.196745 Li\n0.186508 -0.053255 0.431563 Li\n0.813493 0.245055 0.760238 Li\n0.757591 0.616707 0.038331 B\n0.742409 0.109117 0.030740 B\n0.078378 0.609118 0.866708 B\n-0.078377 0.788331 0.530740 B\n0.668132 0.885133 0.441406 B\n0.421623 0.780740 0.538331 B\n0.443728 0.385134 0.717003 B\n0.168132 0.691406 0.635134 B\n0.056273 0.191406 0.023275 B\n0.257591 0.288331 0.366708 B\n-0.056272 -0.032997 0.135134 B\n0.242410 0.280741 0.859118 B\n0.556273 0.273275 0.941406 B\n0.831869 0.467002 0.523275 B\n0.578377 0.116708 0.359118 B\n0.331869 0.773275 0.217003 B\n0.575728 0.120908 -0.019317 O\n-0.000000 -0.003336 -0.003336 O\n0.359776 0.730683 0.654955 O\n0.500000 0.246664 0.746664 O\n0.787156 0.624004 0.520261 O\n0.896256 0.233104 0.020260 O\n0.075729 0.230684 0.870908 O\n0.603744 0.586848 0.874004 O\n0.424272 0.404955 0.545180 O\n0.255730 0.339825 0.724611 O\n0.744270 0.468881 0.084095 O\n0.115214 0.834095 0.589825 O\n0.140225 0.620908 0.045180 O\n0.755729 -0.025389 0.089825 O\n0.244271 0.334095 0.218881 O\n0.712844 0.086848 0.483105 O\n0.384787 0.968881 0.224611 O\n-0.140224 0.904955 0.480684 O\n0.924272 0.795179 0.154955 O\n0.500000 0.746663 0.246664 O\n0.615214 0.839825 0.584095 O\n0.640225 0.295179 0.370908 O\n0.884787 0.474611 0.718881 O\n0.103744 0.124004 0.336848 O\n0.000001 0.496664 0.496664 O\n0.396257 0.270261 0.983105 O\n0.212845 0.733105 0.836848 O\n0.287156 0.770260 0.374004 O\n",
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{
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"structure_string": "Ni4 H16 C8 S16 N8\n1.0\n7.032317 0.041532 0.000000\n0.006073 8.448827 0.000000\n0.000000 0.000000 12.732671\nNi H C S N\n4 16 8 16 8\ndirect\n0.861224 0.975495 0.873391 Ni\n0.638776 0.524505 0.373391 Ni\n0.138776 0.024505 0.126609 Ni\n0.361224 0.475495 0.626608 Ni\n0.514194 0.883351 0.853347 H\n0.309650 0.446884 0.912742 H\n0.014194 0.383351 0.646653 H\n0.190350 0.053116 0.412742 H\n0.682876 0.042878 0.487584 H\n0.866224 0.484305 0.736120 H\n0.633777 0.015695 0.236120 H\n0.182875 0.542879 0.012416 H\n0.809651 0.946884 0.587258 H\n0.985806 0.616649 0.353347 H\n0.485806 0.116649 0.146653 H\n0.817125 0.457122 0.987584 H\n0.690349 0.553116 0.087258 H\n0.317124 0.957122 0.512416 H\n0.133776 0.515695 0.263880 H\n0.366223 0.984306 0.763880 H\n0.604021 0.254125 0.261776 C\n0.191726 0.300869 0.025043 C\n0.395979 0.745875 0.738224 C\n0.808274 0.699131 0.974957 C\n0.691726 0.800869 0.474957 C\n0.104020 0.754126 0.238224 C\n0.308274 0.199131 0.525043 C\n0.895980 0.245874 0.761776 C\n0.282578 0.121500 0.985940 S\n0.782578 0.621500 0.514060 S\n0.506679 0.434498 0.228217 S\n0.051523 0.275922 0.133761 S\n0.448477 0.224078 0.633761 S\n0.493321 0.565502 0.771783 S\n0.993322 0.065503 0.728217 S\n0.948477 0.724078 0.866239 S\n0.258883 0.724588 0.627755 S\n0.217422 0.378500 0.485940 S\n0.717422 0.878500 0.014060 S\n0.006678 0.934498 0.271783 S\n0.741117 0.275412 0.372245 S\n0.241116 0.775413 0.127755 S\n0.758884 0.224587 0.872245 S\n0.551523 0.775922 0.366239 S\n0.575433 0.120564 0.210557 N\n0.225271 0.438012 0.978495 N\n0.075432 0.620565 0.289443 N\n0.924568 0.379435 0.710557 N\n0.274729 0.061988 0.478495 N\n0.424567 0.879436 0.789443 N\n0.725271 0.938012 0.521505 N\n0.774729 0.561988 0.021505 N\n",
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{
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"structure_string": "H20 C32\n1.0\n8.115988 0.000000 -1.804878\n0.000000 3.804276 0.000000\n-0.045200 0.000000 15.266099\nH C\n20 32\ndirect\n0.498688 0.939374 0.704351 H\n0.484303 0.289075 0.055043 H\n0.515697 0.710926 0.944957 H\n0.484303 0.210925 0.555043 H\n0.322910 0.130388 0.902647 H\n0.677090 0.869613 0.097353 H\n0.677090 0.630388 0.597353 H\n0.322910 0.369613 0.402647 H\n0.943603 0.895289 0.206907 H\n0.056397 0.104712 0.793093 H\n0.515697 0.789076 0.444957 H\n0.943603 0.604713 0.706907 H\n0.245103 0.790988 0.245763 H\n0.754898 0.209013 0.754237 H\n0.754898 0.290988 0.254237 H\n0.245103 0.709013 0.745763 H\n0.498688 0.560627 0.204351 H\n0.501313 0.439374 0.795648 H\n0.501313 0.060627 0.295648 H\n0.056397 0.395288 0.293093 H\n0.789153 0.730417 0.579568 C\n0.789153 0.769585 0.079568 C\n0.210847 0.230416 0.920432 C\n0.222756 0.125217 0.508418 C\n0.777244 0.874784 0.491582 C\n0.777244 0.625218 0.991582 C\n0.372668 0.392576 0.072314 C\n0.372668 0.107424 0.572314 C\n0.627333 0.892577 0.427686 C\n0.627333 0.607425 0.927686 C\n0.076769 0.992779 0.531665 C\n0.923231 0.007222 0.468334 C\n0.210847 0.269584 0.420432 C\n0.222756 0.374783 0.008418 C\n0.936496 0.783502 0.140275 C\n0.761569 0.171022 0.320162 C\n0.063504 0.283501 0.359725 C\n0.936496 0.716500 0.640275 C\n0.085119 0.654840 0.118631 C\n0.914882 0.345161 0.881369 C\n0.914882 0.154840 0.381369 C\n0.085119 0.845161 0.618631 C\n0.238432 0.671022 0.179838 C\n0.761569 0.328979 0.820162 C\n0.923231 0.492778 0.968334 C\n0.238431 0.828979 0.679838 C\n0.380201 0.542001 0.156450 C\n0.619799 0.458000 0.843550 C\n0.619799 0.042000 0.343550 C\n0.380201 0.958001 0.656450 C\n0.063504 0.216499 0.859725 C\n0.076769 0.507223 0.031665 C\n",
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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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{
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