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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:41:45.183650Z",
"structure_string": "Ba6 Al3 Cu6 F33\n1.0\n3.706959 -6.420641 0.000000\n3.706959 6.420641 0.000000\n0.000000 0.000000 14.376553\nBa Al Cu F\n6 3 6 33\ndirect\n0.536472 0.187904 0.666603 Ba\n0.172726 0.494914 0.800552 Ba\n0.651432 0.463528 0.999936 Ba\n0.505086 0.677811 0.467218 Ba\n0.322189 0.827274 0.133885 Ba\n0.812096 0.348568 0.333269 Ba\n0.168066 0.007681 0.871903 Al\n0.839616 0.831934 0.205236 Al\n0.992319 0.160384 0.538569 Al\n0.646539 0.995233 0.890479 Cu\n0.792032 0.768780 0.722223 Cu\n0.231220 0.023252 0.388890 Cu\n0.348694 0.353461 0.223813 Cu\n0.976748 0.207968 0.055556 Cu\n0.004767 0.651306 0.557146 Cu\n0.681730 0.091166 0.021892 F\n0.505095 0.710787 0.928643 F\n0.409436 0.318270 0.355225 F\n0.090469 0.414978 0.483742 F\n0.521971 0.245346 0.181672 F\n0.904614 0.626956 0.178178 F\n0.585022 0.675491 0.150409 F\n0.373044 0.277658 0.844844 F\n0.723374 0.478029 0.515005 F\n0.261568 0.340029 0.093534 F\n0.324509 0.909531 0.817076 F\n0.908834 0.590564 0.688559 F\n0.291268 0.025861 0.981766 F\n0.028981 0.478884 0.021043 F\n0.734593 0.708732 0.315099 F\n0.289213 0.794308 0.595310 F\n0.012648 0.123026 0.909316 F\n0.078461 0.738432 0.426867 F\n0.999786 0.067466 0.418418 F\n0.974139 0.265407 0.648433 F\n0.067680 0.000214 0.751752 F\n0.521116 0.550097 0.687710 F\n0.449903 0.971019 0.354376 F\n0.110378 0.987352 0.242649 F\n0.659971 0.921539 0.760201 F\n0.754654 0.276626 0.848339 F\n0.205692 0.494905 0.261976 F\n0.954417 0.744683 0.888006 F\n0.790266 0.045583 0.221339 F\n0.932534 0.932320 0.085085 F\n0.722342 0.095386 0.511511 F\n0.876974 0.889622 0.575982 F\n0.255317 0.209734 0.554673 F\n",
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{
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"structure_string": "Ti8 P16 H36 C8 N4 O64\n1.0\n6.453162 0.000000 0.000000\n0.000000 10.913975 0.000000\n0.000000 5.784276 20.231174\nTi P H C N O\n8 16 36 8 4 64\ndirect\n0.537541 0.306737 0.300656 Ti\n0.962459 0.306737 0.800656 Ti\n0.462459 0.693263 0.699344 Ti\n0.037541 0.693263 0.199344 Ti\n0.039854 0.293521 0.106921 Ti\n0.460146 0.293521 0.606921 Ti\n0.960146 0.706479 0.893079 Ti\n0.539854 0.706479 0.393079 Ti\n0.684423 0.005125 0.327978 P\n0.815577 0.005125 0.827978 P\n0.315577 0.994875 0.672022 P\n0.184423 0.994875 0.172022 P\n0.037516 0.360183 0.256258 P\n0.462484 0.360183 0.756258 P\n0.962484 0.639817 0.743742 P\n0.537516 0.639817 0.243742 P\n0.546484 0.336013 0.134667 P\n0.953516 0.336013 0.634667 P\n0.453516 0.663987 0.865333 P\n0.046484 0.663987 0.365333 P\n0.074522 0.625061 0.053514 P\n0.425478 0.625061 0.553514 P\n0.925478 0.374939 0.946486 P\n0.574522 0.374939 0.446486 P\n0.748847 0.933003 0.241178 H\n0.751153 0.933003 0.741178 H\n0.251153 0.066997 0.758822 H\n0.248847 0.066997 0.258822 H\n0.704450 0.519238 0.128390 H\n0.795550 0.519238 0.628390 H\n0.295550 0.480762 0.871610 H\n0.204450 0.480762 0.371610 H\n0.412776 0.581946 0.067647 H\n0.087224 0.581946 0.567647 H\n0.587224 0.418054 0.932353 H\n0.912776 0.418054 0.432353 H\n0.967163 0.925074 0.426444 H\n0.532837 0.925074 0.926444 H\n0.032837 0.074926 0.573556 H\n0.467163 0.074926 0.073556 H\n0.093319 0.800905 0.481174 H\n0.406681 0.800905 0.981174 H\n0.906681 0.199095 0.518826 H\n0.593319 0.199095 0.018826 H\n0.310277 0.985902 0.434983 H\n0.189723 0.985902 0.934983 H\n0.689723 0.014098 0.565017 H\n0.810277 0.014098 0.065017 H\n0.291395 0.943602 0.523405 H\n0.208605 0.943602 0.023405 H\n0.708605 0.056398 0.476595 H\n0.791395 0.056398 0.976595 H\n0.958208 0.847920 0.576300 H\n0.541792 0.847920 0.076300 H\n0.041792 0.152080 0.423700 H\n0.458208 0.152080 0.923700 H\n0.757014 0.821081 0.523824 H\n0.742986 0.821081 0.023824 H\n0.242986 0.178919 0.476176 H\n0.257014 0.178919 0.976176 H\n0.207361 0.982030 0.476876 C\n0.292639 0.982030 0.976876 C\n0.792639 0.017970 0.523124 C\n0.707361 0.017970 0.023124 C\n0.880669 0.886423 0.528533 C\n0.619331 0.886423 0.028533 C\n0.119331 0.113577 0.471467 C\n0.380669 0.113577 0.971467 C\n0.035198 0.891962 0.474857 N\n0.464802 0.891962 0.974857 N\n0.964802 0.108038 0.525143 N\n0.535198 0.108038 0.025143 N\n0.229096 0.313133 0.300185 O\n0.270904 0.313133 0.800185 O\n0.770904 0.686867 0.699815 O\n0.729096 0.686867 0.199815 O\n0.525678 0.305319 0.393728 O\n0.974322 0.305319 0.893728 O\n0.474322 0.694681 0.606272 O\n0.025678 0.694681 0.106272 O\n0.840528 0.314509 0.297882 O\n0.659472 0.314509 0.797882 O\n0.159472 0.685491 0.702118 O\n0.340528 0.685491 0.202118 O\n0.530000 0.293062 0.209467 O\n0.970000 0.293062 0.709467 O\n0.470000 0.706938 0.790533 O\n0.030000 0.706938 0.290533 O\n0.536290 0.493408 0.270490 O\n0.963710 0.493408 0.770490 O\n0.463710 0.506592 0.729510 O\n0.036290 0.506592 0.229510 O\n0.543860 0.120704 0.327657 O\n0.956140 0.120704 0.827657 O\n0.456140 0.879296 0.672343 O\n0.043860 0.879296 0.172343 O\n0.042182 0.301149 0.196863 O\n0.457818 0.301149 0.696863 O\n0.957818 0.698851 0.803137 O\n0.542182 0.698851 0.303137 O\n0.349029 0.314175 0.099613 O\n0.150971 0.314175 0.599613 O\n0.650971 0.685825 0.900387 O\n0.849029 0.685825 0.400387 O\n0.034502 0.302741 0.010748 O\n0.465498 0.302741 0.510748 O\n0.965498 0.697259 0.989252 O\n0.534502 0.697259 0.489252 O\n0.734473 0.278402 0.108970 O\n0.765527 0.278402 0.608970 O\n0.265527 0.721598 0.891030 O\n0.234473 0.721598 0.391030 O\n0.065087 0.115933 0.129595 O\n0.434913 0.115933 0.629595 O\n0.934913 0.884067 0.870405 O\n0.565087 0.884067 0.370405 O\n0.011452 0.485159 0.078886 O\n0.488548 0.485159 0.578886 O\n0.988548 0.514841 0.921114 O\n0.511452 0.514841 0.421114 O\n0.674682 0.001352 0.253255 O\n0.825318 0.001352 0.753255 O\n0.325318 0.998648 0.746745 O\n0.174682 0.998648 0.246745 O\n0.896997 0.009259 0.356294 O\n0.603003 0.009259 0.856294 O\n0.103003 0.990741 0.643706 O\n0.396997 0.990741 0.143706 O\n0.574342 0.489650 0.113267 O\n0.925658 0.489650 0.613267 O\n0.425658 0.510350 0.886733 O\n0.074342 0.510350 0.386733 O\n0.313829 0.639453 0.036167 O\n0.186171 0.639453 0.536167 O\n0.686171 0.360547 0.963833 O\n0.813829 0.360547 0.463833 O\n",
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{
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{
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