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{
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{
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"structure_string": "B40 H52 Br4\n1.0\n12.116571 0.000000 0.000000\n0.000000 7.481678 0.000000\n-4.587527 0.000000 9.951959\nB Br H\n40 4 52\ndirect\n0.615175 0.670201 0.001387 B\n0.817027 0.949152 0.011087 B\n0.685586 0.910396 0.040911 B\n0.846035 0.525380 0.049564 B\n0.310930 0.486506 0.060761 B\n0.915764 0.766154 0.088566 B\n0.729450 0.518811 0.109341 B\n0.717378 0.739613 0.159818 B\n0.835912 0.884248 0.169089 B\n0.861715 0.650616 0.190668 B\n0.138285 0.150616 0.309332 B\n0.164088 0.384248 0.330911 B\n0.282622 0.239613 0.340182 B\n0.270550 0.018811 0.390659 B\n0.084236 0.266154 0.411434 B\n0.689070 0.986506 0.439239 B\n0.153965 0.025380 0.450436 B\n0.314414 0.410396 0.459089 B\n0.182973 0.449152 0.488913 B\n0.384825 0.170201 0.498613 B\n0.615175 0.829799 0.501387 B\n0.817027 0.550848 0.511087 B\n0.685586 0.589604 0.540911 B\n0.846035 0.974620 0.549564 B\n0.310930 0.013494 0.560761 B\n0.915764 0.733846 0.588566 B\n0.729450 0.981189 0.609341 B\n0.717378 0.760387 0.659818 B\n0.835912 0.615752 0.669089 B\n0.861715 0.849384 0.690668 B\n0.138285 0.349384 0.809332 B\n0.164088 0.115752 0.830911 B\n0.282622 0.260387 0.840182 B\n0.270550 0.481189 0.890659 B\n0.084236 0.233846 0.911434 B\n0.689070 0.513494 0.939239 B\n0.153965 0.474620 0.950436 B\n0.314414 0.089604 0.959089 B\n0.182973 0.050848 0.988913 B\n0.384825 0.329799 0.998613 B\n0.391557 0.667866 0.193405 Br\n0.608443 0.167866 0.306595 Br\n0.391557 0.832134 0.693405 Br\n0.608443 0.332134 0.806595 Br\n0.155866 0.915809 0.026854 H\n0.616257 0.028898 0.029474 H\n0.491500 0.341393 0.032883 H\n0.140933 0.184626 0.039233 H\n0.911480 0.405235 0.052197 H\n0.299027 0.083398 0.072390 H\n0.211337 0.431205 0.078147 H\n0.368016 0.328271 0.109456 H\n0.021105 0.777559 0.113249 H\n0.709614 0.393196 0.163809 H\n0.061750 0.097308 0.205945 H\n0.671737 0.758412 0.237044 H\n0.118252 0.483262 0.237841 H\n0.881748 0.983262 0.262159 H\n0.328263 0.258412 0.262956 H\n0.938250 0.597308 0.294055 H\n0.290386 0.893196 0.336191 H\n0.978895 0.277559 0.386751 H\n0.631984 0.828271 0.390544 H\n0.788663 0.931205 0.421853 H\n0.700973 0.583398 0.427610 H\n0.088520 0.905235 0.447803 H\n0.859067 0.684626 0.460767 H\n0.508500 0.841393 0.467117 H\n0.383743 0.528898 0.470526 H\n0.844134 0.415809 0.473146 H\n0.155866 0.584191 0.526854 H\n0.616257 0.471102 0.529474 H\n0.491500 0.158607 0.532883 H\n0.140933 0.315374 0.539233 H\n0.911480 0.094765 0.552197 H\n0.299027 0.416602 0.572390 H\n0.211337 0.068795 0.578147 H\n0.368016 0.171729 0.609456 H\n0.021105 0.722441 0.613249 H\n0.709614 0.106804 0.663809 H\n0.061750 0.402692 0.705945 H\n0.671737 0.741588 0.737044 H\n0.118252 0.016738 0.737841 H\n0.881748 0.516738 0.762159 H\n0.328263 0.241588 0.762956 H\n0.938250 0.902692 0.794055 H\n0.290386 0.606804 0.836191 H\n0.978895 0.222441 0.886751 H\n0.631984 0.671729 0.890544 H\n0.788663 0.568795 0.921853 H\n0.700973 0.916602 0.927610 H\n0.088520 0.594765 0.947803 H\n0.859067 0.815374 0.960767 H\n0.508500 0.658607 0.967117 H\n0.383743 0.971102 0.970526 H\n0.844134 0.084191 0.973146 H\n",
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{
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"structure_string": "Cd8 B32 O56\n1.0\n8.179677 0.000000 0.000000\n0.000000 8.632820 0.000000\n0.000000 0.000000 14.122493\nB Cd O\n32 8 56\ndirect\n0.782274 0.363243 0.048140 B\n0.717726 0.863243 0.048140 B\n0.045810 0.222417 0.064251 B\n0.454190 0.722417 0.064251 B\n0.989835 0.449560 0.157857 B\n0.510166 0.949560 0.157857 B\n0.983752 0.183461 0.235212 B\n0.516249 0.683461 0.235212 B\n0.483751 0.183461 0.264788 B\n0.016249 0.683461 0.264788 B\n0.489835 0.449560 0.342143 B\n0.010165 0.949560 0.342143 B\n0.545810 0.222417 0.435749 B\n0.954190 0.722417 0.435749 B\n0.282274 0.363243 0.451861 B\n0.217726 0.863243 0.451861 B\n0.782274 0.136757 0.548140 B\n0.717726 0.636757 0.548140 B\n0.045810 0.277583 0.564252 B\n0.454190 0.777582 0.564252 B\n0.989835 0.050440 0.657858 B\n0.510166 0.550440 0.657858 B\n0.983752 0.316538 0.735212 B\n0.516249 0.816538 0.735212 B\n0.483751 0.316538 0.764788 B\n0.016249 0.816538 0.764788 B\n0.489835 0.050440 0.842142 B\n0.010165 0.550440 0.842142 B\n0.545810 0.277583 0.935748 B\n0.954190 0.777582 0.935748 B\n0.282274 0.136757 0.951860 B\n0.217726 0.636757 0.951860 B\n0.376882 0.388793 0.111484 Cd\n0.123119 0.888793 0.111484 Cd\n0.876882 0.388793 0.388516 Cd\n0.623119 0.888793 0.388516 Cd\n0.376882 0.111207 0.611484 Cd\n0.123119 0.611207 0.611484 Cd\n0.876882 0.111207 0.888516 Cd\n0.623119 0.611207 0.888516 Cd\n0.631692 0.373145 0.005389 O\n0.868308 0.873145 0.005389 O\n0.882096 0.241975 0.022603 O\n0.617905 0.741975 0.022603 O\n0.107776 0.373414 0.092818 O\n0.392225 0.873414 0.092818 O\n0.829049 0.467535 0.114121 O\n0.670952 0.967535 0.114121 O\n0.034047 0.121962 0.150602 O\n0.465954 0.621962 0.150602 O\n0.446657 0.099058 0.186392 O\n0.053343 0.599058 0.186392 O\n0.967398 0.342121 0.242740 O\n0.532603 0.842121 0.242740 O\n0.467397 0.342121 0.257261 O\n0.032603 0.842121 0.257261 O\n0.946657 0.099058 0.313608 O\n0.553343 0.599058 0.313608 O\n0.534047 0.121962 0.349399 O\n0.965954 0.621962 0.349399 O\n0.329048 0.467535 0.385879 O\n0.170952 0.967535 0.385879 O\n0.607776 0.373414 0.407182 O\n0.892225 0.873414 0.407182 O\n0.382096 0.241975 0.477397 O\n0.117904 0.741975 0.477397 O\n0.131692 0.373145 0.494611 O\n0.368308 0.873145 0.494611 O\n0.631692 0.126855 0.505390 O\n0.868308 0.626855 0.505390 O\n0.882096 0.258025 0.522603 O\n0.617905 0.758025 0.522603 O\n0.107776 0.126586 0.592818 O\n0.392225 0.626585 0.592818 O\n0.829049 0.032464 0.614121 O\n0.670952 0.532464 0.614121 O\n0.034047 0.378038 0.650602 O\n0.465954 0.878037 0.650602 O\n0.446657 0.400942 0.686392 O\n0.053343 0.900942 0.686392 O\n0.967398 0.157879 0.742740 O\n0.532603 0.657879 0.742740 O\n0.467397 0.157879 0.757260 O\n0.032603 0.657879 0.757260 O\n0.946657 0.400942 0.813608 O\n0.553343 0.900942 0.813608 O\n0.534047 0.378038 0.849398 O\n0.965954 0.878037 0.849398 O\n0.329048 0.032464 0.885879 O\n0.170952 0.532464 0.885879 O\n0.607776 0.126586 0.907182 O\n0.892225 0.626585 0.907182 O\n0.382096 0.258025 0.977397 O\n0.117904 0.758025 0.977397 O\n0.131692 0.126855 0.994611 O\n0.368308 0.626855 0.994611 O\n",
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{
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