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{
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{
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{
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{
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{
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{
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"structure_string": "K8 Th4 P12 Se36\n1.0\n10.344180 0.000000 0.000000\n-0.244182 -10.697896 0.000000\n-5.041766 0.088157 -16.109330\nK Th P Se\n8 4 12 36\ndirect\n0.794859 0.830751 0.148850 K\n0.205141 0.169249 0.851150 K\n0.949660 0.737125 0.453551 K\n0.050340 0.262875 0.546449 K\n0.528042 0.257576 0.533511 K\n0.471958 0.742424 0.466489 K\n0.739840 0.307600 0.861327 K\n0.260160 0.692400 0.138673 K\n0.726366 0.281330 0.169279 Th\n0.273634 0.718670 0.830721 Th\n0.305590 0.223308 0.221046 Th\n0.694410 0.776692 0.778954 Th\n0.035686 0.501213 0.281997 P\n0.964314 0.498787 0.718003 P\n0.720439 0.087200 0.349662 P\n0.279561 0.912800 0.650338 P\n0.224527 0.430579 0.376109 P\n0.775473 0.569421 0.623891 P\n0.571239 0.575025 0.990851 P\n0.428761 0.424975 0.009149 P\n0.010755 0.071738 0.053501 P\n0.989245 0.928262 0.946499 P\n0.550548 0.961191 0.274569 P\n0.449452 0.038809 0.725431 P\n0.774120 0.512886 0.065831 Se\n0.225880 0.487114 0.934169 Se\n0.497787 0.062995 0.150055 Se\n0.502213 0.937005 0.849945 Se\n0.466887 0.433074 0.147861 Se\n0.533113 0.566926 0.852139 Se\n0.030677 0.378400 0.171426 Se\n0.969323 0.621600 0.828574 Se\n0.795492 0.119658 0.036602 Se\n0.204508 0.880342 0.963398 Se\n0.875017 0.080987 0.282843 Se\n0.124983 0.919013 0.717157 Se\n0.212756 0.223731 0.374859 Se\n0.787244 0.776269 0.625141 Se\n0.609343 0.271516 0.325849 Se\n0.390657 0.728484 0.674151 Se\n0.512505 0.245851 0.986674 Se\n0.487495 0.754149 0.013326 Se\n0.852723 0.445508 0.317443 Se\n0.147277 0.554492 0.682557 Se\n0.123840 0.990017 0.174397 Se\n0.876160 0.009983 0.825603 Se\n0.136316 0.230822 0.032771 Se\n0.863684 0.769178 0.967229 Se\n0.388423 0.996654 0.332433 Se\n0.611577 0.003346 0.667567 Se\n0.072857 0.700579 0.274324 Se\n0.927143 0.299421 0.725676 Se\n0.785145 0.034531 0.478025 Se\n0.214855 0.965469 0.521975 Se\n0.608476 0.768743 0.278549 Se\n0.391524 0.231257 0.721451 Se\n0.252534 0.513454 0.496481 Se\n0.747466 0.486546 0.503519 Se\n0.373795 0.480622 0.308480 Se\n0.626205 0.519378 0.691520 Se\n",
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{
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{
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"structure_string": "Ba2 Li2 B18 O30\n1.0\n8.523791 -0.021300 1.427502\n1.204829 8.438238 1.427502\n-0.024620 -0.021300 8.642463\nBa Li B O\n2 2 18 30\ndirect\n0.497962 0.497962 0.497962 Ba\n0.997962 0.997962 0.997962 Ba\n0.246394 0.246394 0.246394 Li\n0.746394 0.746394 0.746394 Li\n0.743182 0.606227 0.080829 B\n0.250124 0.680286 0.819216 B\n0.750124 0.319216 0.180286 B\n0.319216 0.180286 0.750124 B\n0.106227 0.243182 0.580829 B\n0.243182 0.580829 0.106227 B\n0.580829 0.106227 0.243182 B\n0.819216 0.250124 0.680286 B\n0.080829 0.743182 0.606227 B\n0.606227 0.080829 0.743182 B\n0.918734 0.256519 0.393598 B\n0.256519 0.393598 0.918734 B\n0.393598 0.918734 0.256519 B\n0.893598 0.756519 0.418734 B\n0.756519 0.418734 0.893598 B\n0.418734 0.893598 0.756519 B\n0.680286 0.819216 0.250124 B\n0.180286 0.750124 0.319216 B\n0.756765 0.755632 0.102201 O\n0.755632 0.102201 0.756765 O\n0.487376 0.203304 0.721608 O\n0.721608 0.487376 0.203304 O\n0.102201 0.756765 0.755632 O\n0.703304 0.987376 0.221608 O\n0.221608 0.703304 0.987376 O\n0.987376 0.221608 0.703304 O\n0.242960 0.244018 0.897919 O\n0.897919 0.242960 0.244018 O\n0.244018 0.897919 0.242960 O\n0.744018 0.742960 0.397919 O\n0.397919 0.744018 0.742960 O\n0.742960 0.397919 0.744018 O\n0.602201 0.255632 0.256765 O\n0.255632 0.256765 0.602201 O\n0.796130 0.278458 0.512213 O\n0.278458 0.512213 0.796130 O\n0.512213 0.796130 0.278458 O\n0.012213 0.778458 0.296130 O\n0.778458 0.296130 0.012213 O\n0.296130 0.012213 0.778458 O\n0.075960 0.249617 0.423767 O\n0.249617 0.423767 0.075960 O\n0.423767 0.075960 0.249617 O\n0.923767 0.749617 0.575960 O\n0.749617 0.575960 0.923767 O\n0.575960 0.923767 0.749617 O\n0.203304 0.721608 0.487376 O\n0.256765 0.602201 0.255632 O\n",
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