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{
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{
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{
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"structure_string": "Cs8 B16 H40 O48\n1.0\n11.500205 0.000000 0.000000\n0.000000 8.362417 0.000000\n0.000000 0.311359 13.368471\nCs B H O\n8 16 40 48\ndirect\n0.562985 0.733849 0.978322 Cs\n0.062985 0.266151 0.521678 Cs\n0.437015 0.266151 0.021678 Cs\n0.937015 0.733849 0.478322 Cs\n0.079112 0.542883 0.859990 Cs\n0.579112 0.457117 0.640010 Cs\n0.920888 0.457117 0.140010 Cs\n0.420888 0.542883 0.359990 Cs\n0.377808 0.128155 0.576894 B\n0.877808 0.871845 0.923106 B\n0.622192 0.871845 0.423106 B\n0.122192 0.128155 0.076894 B\n0.156746 0.896181 0.695614 B\n0.656746 0.103819 0.804386 B\n0.843254 0.103819 0.304386 B\n0.343254 0.896181 0.195614 B\n0.371543 0.893867 0.697286 B\n0.871543 0.106133 0.802714 B\n0.628457 0.106133 0.302714 B\n0.128457 0.893867 0.197286 B\n0.269904 0.140622 0.736868 B\n0.769904 0.859378 0.763132 B\n0.730096 0.859378 0.263132 B\n0.230096 0.140622 0.236868 B\n0.529228 0.831422 0.745446 H\n0.029228 0.168578 0.754554 H\n0.470772 0.168578 0.254554 H\n0.970772 0.831422 0.245446 H\n0.477478 0.137232 0.455735 H\n0.977478 0.862768 0.044265 H\n0.522522 0.862768 0.544265 H\n0.022522 0.137232 0.955735 H\n0.204243 0.223149 0.866322 H\n0.704243 0.776851 0.633678 H\n0.795757 0.776851 0.133678 H\n0.295757 0.223149 0.366322 H\n0.983345 0.881198 0.705919 H\n0.483345 0.118802 0.794081 H\n0.016655 0.118802 0.294081 H\n0.516655 0.881198 0.205919 H\n0.898675 0.391411 0.699997 H\n0.398675 0.608589 0.800003 H\n0.101325 0.608589 0.300003 H\n0.601325 0.391411 0.199997 H\n0.845251 0.567949 0.676315 H\n0.345251 0.432051 0.823685 H\n0.154749 0.432051 0.323685 H\n0.654749 0.567949 0.176315 H\n0.292384 0.434669 0.608879 H\n0.792384 0.565331 0.891121 H\n0.707616 0.565331 0.391121 H\n0.207616 0.434669 0.108879 H\n0.274552 0.624148 0.618304 H\n0.774552 0.375852 0.881696 H\n0.725448 0.375852 0.381696 H\n0.225448 0.624148 0.118304 H\n0.776642 0.152832 0.517935 H\n0.276642 0.847168 0.982065 H\n0.223358 0.847168 0.482065 H\n0.723358 0.152832 0.017935 H\n0.828674 0.050014 0.609148 H\n0.328674 0.949986 0.890852 H\n0.171326 0.949986 0.390852 H\n0.671326 0.050014 0.109148 H\n0.414416 0.201192 0.487695 O\n0.914416 0.798808 0.012305 O\n0.585584 0.798808 0.512305 O\n0.085584 0.201192 0.987695 O\n0.410271 0.973461 0.599851 O\n0.910271 0.026539 0.900149 O\n0.589729 0.026539 0.400149 O\n0.089729 0.973461 0.099851 O\n0.312571 0.219292 0.641450 O\n0.812571 0.780708 0.858550 O\n0.687429 0.780708 0.358550 O\n0.187429 0.219292 0.141450 O\n0.053211 0.813680 0.691229 O\n0.553211 0.186320 0.808771 O\n0.946789 0.186320 0.308771 O\n0.446789 0.813680 0.191229 O\n0.258297 0.811293 0.682373 O\n0.758297 0.188707 0.817627 O\n0.741703 0.188707 0.317627 O\n0.241703 0.811293 0.182373 O\n0.249668 0.265752 0.809588 O\n0.749668 0.734248 0.690412 O\n0.750332 0.734248 0.190412 O\n0.250332 0.265752 0.309588 O\n0.157048 0.057238 0.717164 O\n0.657048 0.942762 0.782836 O\n0.842952 0.942762 0.282836 O\n0.342952 0.057238 0.217164 O\n0.356341 0.021308 0.771835 O\n0.856341 0.978692 0.728165 O\n0.643659 0.978692 0.228165 O\n0.143659 0.021308 0.271835 O\n0.456537 0.774825 0.728821 O\n0.956537 0.225175 0.771179 O\n0.543463 0.225175 0.271179 O\n0.043463 0.774825 0.228821 O\n0.891191 0.478956 0.649154 O\n0.391191 0.521044 0.850846 O\n0.108809 0.521044 0.350846 O\n0.608809 0.478956 0.149154 O\n0.286574 0.536763 0.570767 O\n0.786574 0.463237 0.929233 O\n0.713426 0.463237 0.429233 O\n0.213426 0.536763 0.070767 O\n0.831734 0.068574 0.534923 O\n0.331734 0.931426 0.965077 O\n0.168266 0.931426 0.465077 O\n0.668266 0.068574 0.034923 O\n",
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{
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"structure_string": "Cs4 Cu2 H24 S4 O28\n1.0\n12.857870 0.000000 0.000000\n0.000000 6.358466 0.000000\n0.000000 2.545945 9.176562\nCs Cu H S O\n4 2 24 4 28\ndirect\n0.355084 0.647461 0.112002 Cs\n0.855084 0.352539 0.387998 Cs\n0.644916 0.352539 0.887998 Cs\n0.144916 0.647461 0.612002 Cs\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.096043 0.688541 0.189469 H\n0.596043 0.311459 0.310531 H\n0.903957 0.311459 0.810531 H\n0.403957 0.688541 0.689469 H\n0.127552 0.922319 0.217716 H\n0.627552 0.077681 0.282284 H\n0.872448 0.077681 0.782284 H\n0.372448 0.922319 0.717716 H\n0.100054 0.076773 0.699389 H\n0.600054 0.923227 0.800611 H\n0.899946 0.923227 0.300611 H\n0.399946 0.076773 0.199389 H\n0.186382 0.014152 0.819857 H\n0.686382 0.985848 0.680143 H\n0.813618 0.985848 0.180143 H\n0.313618 0.014152 0.319857 H\n0.937280 0.676500 0.905115 H\n0.437280 0.323500 0.594885 H\n0.062720 0.323500 0.094885 H\n0.562720 0.676500 0.405115 H\n0.863476 0.697818 0.035054 H\n0.363476 0.302182 0.464946 H\n0.136524 0.302182 0.964946 H\n0.636524 0.697818 0.535054 H\n0.147817 0.263603 0.376008 S\n0.647817 0.736397 0.123992 S\n0.852183 0.736397 0.623992 S\n0.352183 0.263603 0.876008 S\n0.243789 0.383988 0.396243 O\n0.743789 0.616012 0.103757 O\n0.756211 0.616012 0.603757 O\n0.256211 0.383988 0.896243 O\n0.082700 0.216699 0.509530 O\n0.582700 0.783301 0.990470 O\n0.917300 0.783301 0.490470 O\n0.417300 0.216699 0.009530 O\n0.086207 0.404197 0.251132 O\n0.586207 0.595803 0.248868 O\n0.913793 0.595803 0.748868 O\n0.413793 0.404197 0.751132 O\n0.177275 0.055223 0.340287 O\n0.677275 0.944777 0.159713 O\n0.822725 0.944777 0.659713 O\n0.322725 0.055223 0.840287 O\n0.111401 0.845447 0.141524 O\n0.611401 0.154553 0.358476 O\n0.888599 0.154553 0.858476 O\n0.388599 0.845447 0.641524 O\n0.112952 0.985514 0.799490 O\n0.612952 0.014486 0.700510 O\n0.887048 0.014486 0.200510 O\n0.387048 0.985514 0.299490 O\n0.937336 0.714183 0.000648 O\n0.437336 0.285817 0.499352 O\n0.062664 0.285817 0.999352 O\n0.562664 0.714183 0.500648 O\n",
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{
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{
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