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{
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{
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{
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"structure_string": "Bi8 P12 Se36\n1.0\n6.971349 0.000000 0.000000\n-0.345590 12.463123 0.000000\n-0.123866 -1.369934 18.202704\nBi P Se\n8 12 36\ndirect\n0.522654 0.396856 0.382272 Bi\n0.064083 0.467372 0.810331 Bi\n0.435283 0.975573 0.312179 Bi\n0.983702 0.904130 0.886281 Bi\n0.016298 0.095870 0.113719 Bi\n0.564717 0.024427 0.687821 Bi\n0.935917 0.532628 0.189669 Bi\n0.477346 0.603144 0.617728 Bi\n0.564954 0.920668 0.512539 P\n0.547187 0.252402 0.180548 P\n0.059177 0.488463 0.442298 P\n0.048855 0.163776 0.771765 P\n0.431475 0.412751 0.152660 P\n0.929521 0.175210 0.886876 P\n0.951145 0.836224 0.228235 P\n0.452813 0.747598 0.819452 P\n0.435046 0.079332 0.487461 P\n0.568525 0.587249 0.847340 P\n0.940823 0.511537 0.557702 P\n0.070479 0.824790 0.113124 P\n0.162255 0.382525 0.087966 Se\n0.303155 0.187630 0.242659 Se\n0.679549 0.060844 0.886123 Se\n0.304396 0.271034 0.776642 Se\n0.175821 0.781819 0.299504 Se\n0.695604 0.728966 0.223358 Se\n0.647212 0.148551 0.412934 Se\n0.330730 0.591568 0.445647 Se\n0.135116 0.654498 0.084255 Se\n0.373913 0.167285 0.593861 Se\n0.647845 0.487800 0.082504 Se\n0.122785 0.318799 0.417342 Se\n0.204567 0.699605 0.746307 Se\n0.352155 0.512200 0.917496 Se\n0.795433 0.300395 0.253693 Se\n0.864884 0.345502 0.915745 Se\n0.884789 0.011420 0.250366 Se\n0.840288 0.560836 0.373623 Se\n0.696845 0.812370 0.757341 Se\n0.669270 0.408432 0.554353 Se\n0.115211 0.988580 0.749634 Se\n0.352788 0.851449 0.587066 Se\n0.320451 0.939156 0.113877 Se\n0.386682 0.835040 0.924732 Se\n0.877215 0.681201 0.582658 Se\n0.835668 0.896046 0.048083 Se\n0.172456 0.031747 0.422113 Se\n0.378981 0.510541 0.258699 Se\n0.621019 0.489459 0.741301 Se\n0.837745 0.617475 0.912034 Se\n0.159712 0.439164 0.626377 Se\n0.827544 0.968253 0.577887 Se\n0.626087 0.832715 0.406139 Se\n0.613318 0.164960 0.075268 Se\n0.164332 0.103954 0.951917 Se\n0.824179 0.218181 0.700496 Se\n",
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{
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"structure_string": "Zr2 P4 S12\n1.0\n6.910420 0.000000 0.000000\n0.000000 6.910420 0.000000\n0.000000 0.000000 9.530673\nZr P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 Zr\n0.000000 0.000000 0.250000 Zr\n0.656991 0.054934 0.000000 P\n0.343009 0.945066 0.000000 P\n0.054934 0.343009 0.500000 P\n0.945066 0.656991 0.500000 P\n0.203267 0.305672 0.680881 S\n0.694328 0.203267 0.180881 S\n0.158465 0.176886 0.000000 S\n0.823114 0.158465 0.500000 S\n0.176886 0.841535 0.500000 S\n0.841535 0.823114 0.000000 S\n0.203267 0.305672 0.319119 S\n0.694328 0.203267 0.819119 S\n0.305672 0.796733 0.819119 S\n0.796733 0.694328 0.319119 S\n0.796733 0.694328 0.680881 S\n0.305672 0.796733 0.180881 S\n",
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{
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"structure_string": "Al12 H32 C10 Cl24 O12\n1.0\n8.989792 0.000000 0.000000\n-3.849116 9.406443 0.000000\n-0.544240 -3.636188 18.863365\nAl H C Cl O\n12 32 10 24 12\ndirect\n0.122180 0.787596 0.966071 Al\n0.030840 0.583828 0.802408 Al\n0.203311 0.951310 0.344710 Al\n0.378698 0.678002 0.888258 Al\n0.575102 0.987275 0.343227 Al\n0.525401 0.724927 0.629955 Al\n0.474599 0.275073 0.370045 Al\n0.424898 0.012725 0.656773 Al\n0.621302 0.321998 0.111742 Al\n0.796689 0.048690 0.655290 Al\n0.969160 0.416172 0.197592 Al\n0.877820 0.212404 0.033929 Al\n0.061671 0.916763 0.826428 H\n0.216647 0.669081 0.359361 H\n0.118621 0.319091 0.820483 H\n0.168582 0.386823 0.739492 H\n0.338885 0.772696 0.440819 H\n0.327352 0.803881 0.076649 H\n0.110216 0.228272 0.409813 H\n0.128870 0.236755 0.192544 H\n0.076707 0.123885 0.106548 H\n0.292956 0.615518 0.051271 H\n0.122123 0.112464 0.469380 H\n0.428859 0.711096 0.366364 H\n0.326503 0.407467 0.804403 H\n0.275306 0.290905 0.478764 H\n0.482275 0.754167 0.038586 H\n0.517725 0.245833 0.961414 H\n0.724694 0.709095 0.521236 H\n0.673497 0.592533 0.195597 H\n0.571141 0.288904 0.633636 H\n0.877877 0.887536 0.530620 H\n0.707044 0.384482 0.948729 H\n0.923293 0.876115 0.893452 H\n0.871130 0.763245 0.807456 H\n0.889784 0.771728 0.590187 H\n0.672648 0.196119 0.923351 H\n0.661115 0.227304 0.559181 H\n0.831418 0.613177 0.260508 H\n0.881379 0.680909 0.179517 H\n0.783353 0.330919 0.640639 H\n0.938329 0.083237 0.173572 H\n0.438281 0.845540 0.729347 H\n0.561719 0.154460 0.270653 H\n0.028761 0.169422 0.152024 C\n0.203888 0.404114 0.796324 C\n0.334764 0.750447 0.383096 C\n0.351492 0.723319 0.038448 C\n0.191513 0.196930 0.440917 C\n0.808487 0.803070 0.559083 C\n0.648508 0.276681 0.961552 C\n0.665236 0.249553 0.616904 C\n0.796112 0.595886 0.203676 C\n0.971239 0.830578 0.847976 C\n0.160934 0.955780 0.236080 Cl\n0.066575 0.645822 0.701911 Cl\n0.278291 0.958408 0.559800 Cl\n0.060558 0.322792 0.972861 Cl\n0.003165 0.176279 0.610994 Cl\n0.189925 0.591609 0.196536 Cl\n0.458858 0.868980 0.842275 Cl\n0.368437 0.598873 0.538458 Cl\n0.224260 0.016090 0.997212 Cl\n0.425427 0.397950 0.300164 Cl\n0.549856 0.592130 0.910483 Cl\n0.351098 0.117681 0.745137 Cl\n0.648902 0.882319 0.254863 Cl\n0.450144 0.407870 0.089517 Cl\n0.574573 0.602050 0.699836 Cl\n0.775740 0.983910 0.002788 Cl\n0.631563 0.401127 0.461542 Cl\n0.541142 0.131020 0.157725 Cl\n0.810075 0.408391 0.803464 Cl\n0.996835 0.823721 0.389006 Cl\n0.939442 0.677208 0.027139 Cl\n0.721709 0.041592 0.440200 Cl\n0.933425 0.354178 0.298089 Cl\n0.839066 0.044220 0.763920 Cl\n0.049334 0.737582 0.871723 O\n0.284885 0.721752 0.966752 O\n0.203508 0.545567 0.830951 O\n0.364853 0.886209 0.356670 O\n0.452190 0.854606 0.678377 O\n0.287996 0.140722 0.392539 O\n0.712004 0.859278 0.607461 O\n0.547810 0.145394 0.321623 O\n0.635147 0.113791 0.643330 O\n0.796492 0.454433 0.169049 O\n0.715115 0.278248 0.033248 O\n0.950666 0.262418 0.128277 O\n",
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{
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{
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