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{
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"structure_string": "Li8 B16 O28\n1.0\n8.447627 -0.140883 0.000000\n-2.020229 8.203714 0.000000\n-3.213699 -4.031416 6.693435\nLi B O\n8 16 28\ndirect\n0.001672 0.986739 0.683750 Li\n0.067923 0.251672 0.514933 Li\n0.736740 0.552990 0.485068 Li\n0.302991 0.317923 0.316251 Li\n0.501672 0.817923 0.014933 Li\n0.802991 0.486740 0.985068 Li\n0.236740 0.751672 0.183749 Li\n0.567923 0.052991 0.816251 Li\n0.555498 0.112086 0.332030 B\n0.780056 0.223468 0.667970 B\n0.862086 0.030056 0.056588 B\n0.973468 0.805498 0.943413 B\n0.362086 0.305498 0.832031 B\n0.055498 0.723468 0.443413 B\n0.473468 0.530056 0.167970 B\n0.280056 0.612086 0.556588 B\n0.130342 0.387680 0.921420 B\n0.958923 0.380342 0.242662 B\n0.137681 0.716261 0.757339 B\n0.458923 0.216261 0.578581 B\n0.630342 0.708923 0.742662 B\n0.966262 0.887680 0.257339 B\n0.637681 0.880342 0.421419 B\n0.466262 0.208923 0.078581 B\n0.408000 0.163617 0.885452 O\n0.513873 0.910677 0.287575 O\n0.976299 0.763873 0.103195 O\n0.660678 0.873103 0.896805 O\n0.623104 0.226299 0.712426 O\n0.476299 0.373103 0.212426 O\n0.123103 0.410677 0.396805 O\n0.160678 0.263873 0.787575 O\n0.499820 0.499820 -0.000000 O\n0.249820 0.749820 0.500000 O\n0.278166 0.522548 0.114549 O\n0.013873 0.726298 0.603196 O\n0.913617 0.528166 0.255618 O\n0.016225 0.875506 0.423576 O\n0.413617 0.158000 0.385452 O\n0.778166 0.663617 0.755618 O\n0.908000 0.022548 0.244383 O\n0.772549 0.028166 0.614549 O\n0.516226 0.092650 0.140719 O\n0.951931 0.375506 0.859281 O\n0.842650 0.201931 0.076424 O\n0.125506 0.766225 0.923576 O\n0.342650 0.266225 0.640720 O\n0.451931 0.592649 0.576425 O\n-0.000180 -0.000180 -0.000000 O\n0.625506 0.701930 0.359281 O\n0.272548 0.657999 0.744383 O\n0.749820 0.249820 0.500000 O\n",
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{
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"structure_string": "Ba2 Na2 B18 O30\n1.0\n6.671540 -5.568724 0.012251\n6.671540 5.568724 0.012251\n2.007831 -0.000000 8.455111\nBa Na B O\n2 2 18 30\ndirect\n0.501974 0.501974 0.501974 Ba\n0.001974 0.001974 0.001974 Ba\n0.719523 0.719523 0.719523 Na\n0.219523 0.219523 0.219523 Na\n0.442573 0.932283 0.789218 B\n0.716185 0.839642 0.283346 B\n0.283346 0.716184 0.839642 B\n0.216185 0.783346 0.339642 B\n0.783346 0.339642 0.216184 B\n0.339642 0.216185 0.783346 B\n0.127404 0.276601 0.615185 B\n0.839642 0.283347 0.716184 B\n0.276601 0.615185 0.127404 B\n0.115186 0.776600 0.627404 B\n0.776601 0.627404 0.115185 B\n0.627404 0.115186 0.776601 B\n0.942573 0.289219 0.432283 B\n0.432283 0.942573 0.289218 B\n0.289219 0.432283 0.942573 B\n0.932283 0.789219 0.442573 B\n0.789219 0.442573 0.932283 B\n0.615185 0.127404 0.276601 B\n0.793340 0.774143 0.137600 O\n0.774142 0.137600 0.793340 O\n0.508157 0.237800 0.749969 O\n0.749969 0.508157 0.237800 O\n0.237800 0.749969 0.508157 O\n0.249969 0.737800 0.008157 O\n0.284155 0.928418 0.266968 O\n0.008157 0.249969 0.737800 O\n0.266968 0.284155 0.928418 O\n0.928418 0.266969 0.284155 O\n0.428418 0.784155 0.766968 O\n0.137600 0.793339 0.774142 O\n0.737800 0.008158 0.249969 O\n0.293340 0.637600 0.274142 O\n0.284977 0.461076 0.097130 O\n0.274143 0.293340 0.637600 O\n0.817327 0.314447 0.548759 O\n0.548760 0.817327 0.314447 O\n0.314447 0.548760 0.817327 O\n0.048760 0.814447 0.317327 O\n0.814447 0.317327 0.048760 O\n0.317327 0.048760 0.814447 O\n0.097130 0.284977 0.461076 O\n0.461076 0.097130 0.284977 O\n0.784155 0.766968 0.428418 O\n0.961076 0.784977 0.597130 O\n0.784977 0.597130 0.961076 O\n0.597130 0.961076 0.784977 O\n0.637600 0.274143 0.293340 O\n0.766968 0.428418 0.784155 O\n",
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{
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"structure_string": "Na4 Li4 H16 C8 O20\n1.0\n6.788233 -0.058049 -0.982119\n-0.640548 7.603407 -2.838634\n0.299767 0.023287 10.252358\nNa Li H C O\n4 4 16 8 20\ndirect\n0.407599 0.139553 0.645664 Na\n0.592401 0.860448 0.354337 Na\n0.902794 0.147780 0.649178 Na\n0.097206 0.852220 0.350823 Na\n0.214417 0.427975 0.856189 Li\n0.785582 0.572026 0.143812 Li\n0.676971 0.872255 0.798725 Li\n0.323029 0.127746 0.201276 Li\n0.305860 0.793148 0.973219 H\n0.694139 0.206852 0.026782 H\n0.862298 0.036328 0.128793 H\n0.137702 0.963672 0.871208 H\n0.672658 0.418859 0.513868 H\n0.327341 0.581142 0.486133 H\n0.967009 0.614034 0.500152 H\n0.032990 0.385967 0.499848 H\n0.131636 0.534276 0.163176 H\n0.932573 0.569917 0.740503 H\n0.868363 0.465725 0.836825 H\n0.562987 0.442086 0.270685 H\n0.437013 0.557915 0.729316 H\n0.447997 0.526803 0.168889 H\n0.552003 0.473198 0.831111 H\n0.067427 0.430084 0.259497 H\n0.798450 0.897840 0.092811 C\n0.296370 0.756626 0.066863 C\n0.703630 0.243375 0.933138 C\n0.201550 0.102160 0.907190 C\n0.903598 0.733666 0.566180 C\n0.376808 0.716619 0.559843 C\n0.096402 0.266334 0.433821 C\n0.623192 0.283382 0.440157 C\n0.564703 0.546426 0.239693 O\n0.435296 0.453575 0.760308 O\n0.267167 0.593410 0.046055 O\n0.732833 0.406591 0.953945 O\n0.316187 0.878938 0.186124 O\n0.683812 0.121063 0.813876 O\n0.714856 0.827021 0.968779 O\n0.285144 0.172980 0.031222 O\n0.817791 0.823424 0.184373 O\n0.182209 0.176577 0.815628 O\n0.436666 0.735485 0.686446 O\n0.631038 0.161101 0.489570 O\n0.368962 0.838900 0.510431 O\n0.874442 0.741406 0.688054 O\n0.125558 0.258595 0.311947 O\n0.867655 0.849042 0.512219 O\n0.132345 0.150959 0.487781 O\n0.960435 0.466536 0.769115 O\n0.563333 0.264516 0.313555 O\n0.039565 0.533465 0.230886 O\n",
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{
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"created_at": "2022-09-04T14:38:47.253003Z",
"updated_at": "2022-09-04T14:38:47.253028Z",
"structure_string": "H16 C28 O8\n1.0\n5.955765 0.000000 -0.778157\n0.000000 5.297256 0.000000\n0.403311 0.000000 15.108682\nH C O\n16 28 8\ndirect\n0.462739 0.166035 0.765554 H\n0.479970 0.798261 0.436440 H\n0.520031 0.298260 0.063560 H\n0.479970 0.701741 0.936440 H\n0.165538 0.008320 0.248734 H\n0.834462 0.991681 0.751265 H\n0.834462 0.508320 0.251265 H\n0.165538 0.491681 0.748734 H\n0.520031 0.201740 0.563560 H\n0.130896 0.003354 0.645892 H\n0.130896 0.496647 0.145892 H\n0.869105 0.503354 0.854108 H\n0.462739 0.333965 0.265554 H\n0.537261 0.666036 0.734446 H\n0.537261 0.833966 0.234446 H\n0.869105 -0.003354 0.354108 H\n0.001242 0.181302 0.927981 C\n0.998758 0.818698 0.072019 C\n0.998758 0.681303 0.572019 C\n0.001242 0.318698 0.427981 C\n0.169023 0.992843 0.938342 C\n0.830978 0.007157 0.061657 C\n0.826454 0.191211 0.989764 C\n0.169023 0.507158 0.438343 C\n0.173547 0.808790 0.010235 C\n0.173547 0.691211 0.510235 C\n0.826454 0.308790 0.489764 C\n-0.000248 0.139839 0.360303 C\n0.830977 0.492843 0.561657 C\n0.000248 0.860162 0.639696 C\n0.833320 0.646710 0.197870 C\n-0.000248 0.360162 0.860303 C\n0.337022 0.989643 0.878914 C\n0.662979 0.010358 0.121086 C\n0.000248 0.639839 0.139696 C\n0.337022 0.510359 0.378914 C\n0.333780 0.171339 0.811109 C\n0.666220 0.828662 0.188890 C\n0.662979 0.489642 0.621086 C\n0.333780 0.328661 0.311110 C\n0.166681 0.353291 0.802129 C\n0.833319 0.853292 0.697870 C\n0.166681 0.146709 0.302129 C\n0.666220 0.671340 0.688890 C\n0.496385 0.317756 0.614797 O\n0.676108 0.356730 0.980382 O\n0.323893 0.643271 0.019618 O\n0.323893 0.856731 0.519618 O\n0.676108 0.143270 0.480382 O\n0.503616 0.817756 0.885203 O\n0.496385 0.182245 0.114797 O\n0.503616 0.682245 0.385203 O\n",
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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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{
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"structure_string": "Mo4 H24 N4 O12 F8\n1.0\n4.277241 6.830653 -1.817842\n-4.277241 6.830653 1.817842\n0.009967 0.000000 7.891781\nMo H N O F\n4 24 4 12 8\ndirect\n0.984886 0.716570 0.739157 Mo\n0.716571 0.984885 0.760843 Mo\n0.015114 0.283429 0.260843 Mo\n0.283429 0.015114 0.239157 Mo\n0.666754 0.751749 0.327416 H\n0.751749 0.666754 0.172584 H\n0.248251 0.333245 0.827416 H\n0.806579 0.076629 0.368703 H\n0.076629 0.806578 0.131297 H\n0.193421 0.923370 0.631297 H\n0.923371 0.193421 0.868703 H\n0.757969 0.133367 0.145248 H\n0.133367 0.757969 0.354752 H\n0.242031 0.866632 0.854752 H\n0.866632 0.242031 0.645248 H\n0.333245 0.248250 0.672584 H\n0.885669 0.706843 0.338702 H\n0.706843 0.885669 0.161298 H\n0.630739 0.528290 0.865647 H\n0.369261 0.471709 0.134353 H\n0.471709 0.369261 0.365647 H\n0.577922 0.407698 0.733353 H\n0.528291 0.630738 0.634353 H\n0.422078 0.592301 0.266647 H\n0.592301 0.422078 0.233353 H\n0.114331 0.293156 0.661298 H\n0.293157 0.114330 0.838702 H\n0.407699 0.577921 0.766647 H\n0.535498 0.535497 0.750000 N\n0.464502 0.464502 0.250000 N\n0.246535 0.246534 0.750000 N\n0.753465 0.753465 0.250000 N\n0.158093 0.811701 0.243478 O\n0.197834 0.048874 0.446096 O\n0.811701 0.158093 0.256522 O\n0.841907 0.188298 0.756522 O\n0.188299 0.841906 0.743478 O\n0.048874 0.197833 0.053904 O\n0.568874 0.888247 0.767485 O\n0.951126 0.802166 0.946096 O\n0.431126 0.111752 0.232515 O\n0.111752 0.431126 0.267485 O\n0.888248 0.568873 0.732515 O\n0.802166 0.951125 0.553904 O\n0.762198 0.491401 0.086613 F\n0.089309 0.662146 0.532530 F\n0.662146 0.089309 0.967470 F\n0.910690 0.337853 0.467470 F\n0.337854 0.910690 0.032530 F\n0.237802 0.508599 0.913387 F\n0.508599 0.237801 0.586613 F\n0.491401 0.762198 0.413387 F\n",
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{
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