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{
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"structure_string": "B6 O9\n1.0\n2.181769 -3.778935 0.000000\n2.181769 3.778935 -0.000000\n-0.000000 0.000000 8.350403\nB O\n6 9\ndirect\n0.233588 0.395621 0.979038 B\n0.604379 0.837967 0.312371 B\n0.162033 0.766413 0.645705 B\n0.837923 0.604281 0.095911 B\n0.395719 0.233641 0.429244 B\n0.766360 0.162077 0.762578 B\n0.550365 0.401551 -0.000781 O\n0.598449 0.148813 0.332552 O\n0.851187 0.449635 0.665884 O\n0.148754 0.598323 0.075742 O\n0.401678 0.550432 0.409075 O\n0.449568 0.851247 0.742408 O\n-0.000009 0.156073 0.870790 O\n0.843928 0.843919 0.204124 O\n0.156081 0.000009 0.537457 O\n",
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"structure_string": "Mg2 Sc2\n1.0\n3.567999 0.000000 0.000000\n0.000000 5.058239 0.000000\n0.000000 -0.000000 5.059329\nMg Sc\n2 2\ndirect\n0.500000 0.750000 0.250285 Mg\n0.500000 0.250000 0.749715 Mg\n0.000000 0.750000 0.750251 Sc\n0.000000 0.250000 0.249749 Sc\n",
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"structure_string": "Ba2 Ca2 C2 O6\n1.0\n5.240012 0.000000 0.000000\n-2.620006 4.538041 0.000000\n0.000000 0.000000 13.161489\nBa Ca C O\n2 2 2 6\ndirect\n0.666699 0.333399 0.502726 Ba\n0.333300 0.666601 0.002726 Ba\n0.666631 0.333262 0.805131 Ca\n0.333368 0.666738 0.305131 Ca\n-0.000032 -0.000065 0.922121 C\n0.000032 0.000065 0.422121 C\n0.857327 0.714656 0.924009 O\n0.285250 0.142572 0.924007 O\n0.857321 0.142572 0.924007 O\n0.142672 0.285344 0.424009 O\n0.714749 0.857428 0.424007 O\n0.142677 0.857428 0.424007 O\n",
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"structure_string": "Li1 B11\n1.0\n-2.727614 2.727614 2.787296\n2.727614 -2.727614 2.787296\n2.727614 2.727614 -2.787296\nLi B\n1 11\ndirect\n0.750000 0.250000 0.499999 Li\n0.320250 0.320250 0.000000 B\n0.679751 0.679751 0.000000 B\n0.703443 0.703443 0.406884 B\n0.296557 0.296557 0.593115 B\n0.296559 0.703443 0.000000 B\n0.703443 0.296559 0.000000 B\n0.161243 0.874862 0.713619 B\n0.161243 0.447622 0.286379 B\n0.125138 0.838757 0.286379 B\n0.552378 0.838757 0.713619 B\n0.000000 0.000000 0.000000 B\n",
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"structure_string": "Mg6 Fe1 Si1\n1.0\n6.076507 0.016898 0.000000\n-3.023619 5.270859 0.000000\n0.000000 0.000000 4.719822\nMg Fe Si\n6 1 1\ndirect\n0.168633 0.843501 0.250000 Mg\n0.656500 0.331367 0.250000 Mg\n0.665515 0.834485 0.250000 Mg\n0.326690 0.648005 0.750000 Mg\n0.851996 0.173311 0.750000 Mg\n0.832320 0.667681 0.750000 Mg\n0.182882 0.317119 0.250000 Fe\n0.315468 0.184532 0.750000 Si\n",
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"structure_string": "K4 Al4 Si6 O20\n1.0\n0.000000 0.000000 6.504003\n-8.392941 0.000000 3.252002\n0.000000 -9.087943 3.252002\nK Al Si O\n4 4 6 20\ndirect\n0.744058 0.393216 0.867335 K\n0.004610 0.606784 0.132665 K\n0.887275 0.106784 0.367335 K\n0.361394 0.893216 0.632665 K\n0.298306 0.432743 0.697638 Al\n0.428687 0.567257 0.302362 Al\n0.481049 0.067257 0.197638 Al\n0.745944 0.932743 0.802362 Al\n0.987190 0.715819 0.553590 Si\n0.256600 0.284181 0.446410 Si\n0.453010 0.784181 0.053590 Si\n0.995887 0.000000 0.000000 Si\n0.745887 0.500000 0.500000 Si\n0.290781 0.215819 0.946410 Si\n0.273168 0.202111 0.119369 O\n0.169332 0.864785 0.079630 O\n0.113747 0.135215 0.920370 O\n0.146198 0.628504 0.658311 O\n0.433013 0.371496 0.341689 O\n0.524702 0.871496 0.158311 O\n0.554510 0.128504 0.841688 O\n0.594647 0.797889 0.880631 O\n0.142536 0.702111 0.380631 O\n0.756445 0.087604 0.127704 O\n0.849644 0.901682 0.608679 O\n0.360007 0.098317 0.391320 O\n0.501327 0.598317 0.108679 O\n0.208324 0.401682 0.891320 O\n0.971753 0.912396 0.872296 O\n-0.001038 0.364785 0.420370 O\n0.634149 0.587604 0.372296 O\n0.594049 0.412396 0.627704 O\n0.225279 0.297889 0.619368 O\n0.784116 0.635215 0.579630 O\n",
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"structure_string": "K4 S2 O8\n1.0\n5.759328 -0.081452 -0.054392\n-2.950203 5.109902 0.108783\n0.072266 -0.125168 7.865397\nK S O\n4 2 8\ndirect\n0.382146 0.691073 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 -0.000000 0.500000 K\n0.617856 0.308927 0.250000 K\n0.302651 0.651326 0.250000 S\n0.697350 0.348674 0.750000 S\n0.126408 0.769001 0.250001 O\n0.475591 0.737793 0.403910 O\n0.475591 0.737798 0.096090 O\n0.126407 0.357406 0.249999 O\n0.873594 0.642594 0.750002 O\n0.524410 0.262206 0.596090 O\n0.524410 0.262202 0.903911 O\n0.873594 0.230999 0.749999 O\n",
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"structure_string": "H8 C4 Br4 Cl4\n1.0\n5.892180 0.075061 2.151171\n4.231771 4.100675 2.151171\n0.348319 0.143668 14.450777\nH C Br Cl\n8 4 4 4\ndirect\n0.209371 0.452654 0.528757 H\n0.547346 0.790630 0.971243 H\n0.790628 0.547347 0.471243 H\n0.452653 0.209372 0.028757 H\n0.021423 0.511007 0.659625 H\n0.488993 0.978578 0.840375 H\n0.978576 0.488994 0.340375 H\n0.511006 0.021424 0.159625 H\n0.340642 0.238196 0.107499 C\n0.761804 0.659359 0.392501 C\n0.659357 0.761805 0.892501 C\n0.238196 0.340643 0.607499 C\n0.606247 0.223904 0.632495 Br\n0.776096 0.393754 0.867505 Br\n0.393752 0.776097 0.367505 Br\n0.223903 0.606248 0.132495 Br\n0.316341 -0.009362 0.628712 Cl\n0.009361 0.683660 0.871288 Cl\n0.683659 0.009362 0.371288 Cl\n-0.009362 0.316342 0.128712 Cl\n",
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}