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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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"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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