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{
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{
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{
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"structure_string": "B10 H24 N2 O24\n1.0\n11.296214 0.000000 0.000000\n0.000000 5.464170 4.474275\n0.000000 -5.464170 4.474275\nB H N O\n10 24 2 24\ndirect\n0.500000 0.104126 0.104126 B\n0.000000 0.604125 0.604125 B\n0.316318 0.301584 0.100810 B\n0.683681 0.100810 0.301584 B\n0.183681 0.801584 0.600810 B\n0.816318 0.600810 0.801584 B\n0.297205 0.958312 0.057185 B\n0.702795 0.057185 0.958312 B\n0.202795 0.458312 0.557185 B\n0.797205 0.557185 0.458312 B\n0.985380 0.499284 0.207268 H\n0.014619 0.207268 0.499284 H\n0.027479 0.165439 0.024611 H\n0.972521 0.024611 0.165439 H\n0.430487 0.429909 0.491280 H\n0.930487 -0.008720 0.929909 H\n0.069513 0.929909 -0.008720 H\n0.569513 0.491280 0.429909 H\n0.485380 0.707267 0.999284 H\n0.472521 0.665439 0.524610 H\n0.514619 0.999284 0.707267 H\n0.527479 0.524610 0.665439 H\n-0.001312 0.511359 0.983258 H\n0.498688 0.483258 0.011360 H\n0.501312 0.011360 0.483258 H\n0.752329 0.538016 0.180783 H\n0.247670 0.180783 0.538016 H\n0.747670 0.038016 0.680783 H\n0.252330 0.680783 0.038016 H\n0.001312 0.983258 0.511359 H\n0.671675 0.607462 0.961654 H\n0.328324 0.961654 0.607462 H\n0.828324 0.107463 0.461654 H\n0.171675 0.461654 0.107463 H\n0.500000 0.525403 0.525403 N\n0.000000 0.025404 0.025404 N\n0.471402 0.945525 0.585776 O\n0.719930 0.519566 0.306851 O\n0.280070 0.306851 0.519566 O\n0.780070 0.019566 0.806851 O\n0.528598 0.585776 0.945525 O\n0.219930 0.806851 0.019566 O\n0.760871 0.613970 0.976325 O\n0.239128 0.976325 0.613970 O\n0.739128 0.113971 0.476326 O\n0.260872 0.476326 0.113971 O\n0.745784 0.574431 0.638711 O\n0.416936 0.937988 0.074812 O\n0.754216 0.074432 0.138712 O\n0.245784 0.138712 0.074432 O\n0.916936 0.574812 0.437988 O\n0.083063 0.437988 0.574812 O\n0.583063 0.074812 0.937988 O\n0.936916 0.610538 0.789847 O\n0.063084 0.789847 0.610538 O\n0.563084 0.110538 0.289847 O\n0.436916 0.289847 0.110538 O\n0.028598 0.445525 0.085776 O\n0.254216 0.638711 0.574431 O\n0.971401 0.085776 0.445525 O\n",
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"structure_string": "Ba2 Nb20 Si2 O38\n1.0\n3.930018 -6.806990 -0.000000\n3.930018 6.806990 -0.000000\n-0.000000 0.000000 14.628856\nBa Nb Si O\n2 20 2 38\ndirect\n0.666667 0.333333 0.592211 Ba\n0.333333 0.666667 0.092211 Ba\n0.689018 0.553030 0.001193 Nb\n0.180692 0.952397 0.673243 Nb\n0.047603 0.228295 0.673243 Nb\n0.446971 0.135988 0.001193 Nb\n0.523716 0.636398 0.338923 Nb\n0.333333 0.666667 0.832774 Nb\n0.864013 0.310982 0.001193 Nb\n0.952397 0.771705 0.173243 Nb\n0.636398 0.112682 0.838923 Nb\n0.228295 0.180692 0.173243 Nb\n0.112682 0.476284 0.338923 Nb\n0.887318 0.523716 0.838923 Nb\n0.666667 0.333333 0.332773 Nb\n0.363602 0.887318 0.338923 Nb\n0.135988 0.689018 0.501193 Nb\n0.553030 0.864013 0.501193 Nb\n0.476284 0.363602 0.838923 Nb\n0.310982 0.446971 0.501193 Nb\n0.819308 0.047603 0.173243 Nb\n0.771705 0.819308 0.673243 Nb\n0.000000 0.000000 0.890228 Si\n0.000000 0.000000 0.390228 Si\n0.000000 0.000000 0.775990 O\n0.906485 0.543875 0.082394 O\n0.257473 0.205005 0.596695 O\n0.843367 0.267416 0.261126 O\n0.424049 0.156633 0.261126 O\n0.947532 0.742527 0.596695 O\n0.205005 0.947532 0.096695 O\n0.093515 0.456126 0.582394 O\n0.496390 0.596619 0.920630 O\n0.134634 0.699819 0.252732 O\n0.267416 0.424049 0.761126 O\n0.847911 0.075470 0.919897 O\n0.575951 0.843367 0.761126 O\n0.052469 0.257473 0.096695 O\n0.075470 0.227559 0.419897 O\n0.637390 0.093515 0.082394 O\n0.732584 0.575951 0.261126 O\n0.503611 0.403382 0.420630 O\n0.362611 0.906485 0.582394 O\n0.565185 0.865366 0.252732 O\n0.000000 0.000000 0.275990 O\n0.227559 0.152089 0.919897 O\n0.699819 0.565185 0.752732 O\n0.152089 0.924530 0.419897 O\n0.300181 0.434815 0.252732 O\n0.434815 0.134634 0.752732 O\n0.772441 0.847911 0.419897 O\n0.865366 0.300181 0.752732 O\n0.899771 0.496390 0.420630 O\n0.403382 0.899771 0.920630 O\n0.100229 0.503611 0.920630 O\n0.456126 0.362611 0.082394 O\n0.794996 0.052469 0.596695 O\n0.156633 0.732584 0.761126 O\n0.742527 0.794996 0.096695 O\n0.543875 0.637390 0.582394 O\n0.924530 0.772441 0.919897 O\n0.596619 0.100229 0.420630 O\n",
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"structure_string": "P4 H36 N8 O16\n1.0\n10.102689 0.000000 -4.337388\n0.000000 6.685844 0.000000\n0.007068 0.000000 7.953184\nP H N O\n4 36 8 16\ndirect\n0.248278 0.605667 0.930565 P\n0.751722 0.105667 0.569434 P\n0.751722 0.394333 0.069434 P\n0.248278 0.894333 0.430566 P\n0.175471 0.103504 0.683635 H\n0.824530 0.603503 0.816364 H\n0.824530 0.896496 0.316365 H\n0.175471 0.396496 0.183635 H\n0.121113 0.974576 0.827641 H\n0.878888 0.474576 0.672358 H\n0.878888 0.025424 0.172358 H\n0.833111 0.720436 0.630891 H\n0.374353 0.222695 0.118110 H\n0.833111 0.779563 0.130892 H\n0.166889 0.279563 0.369108 H\n0.024507 0.159919 0.687274 H\n0.975493 0.659919 0.812725 H\n0.975493 0.840080 0.312725 H\n0.024507 0.340081 0.187274 H\n0.166889 0.220436 0.869108 H\n0.625647 0.722693 0.381890 H\n0.121113 0.525423 0.327642 H\n0.374354 0.277305 0.618110 H\n0.176375 0.633845 0.621092 H\n0.823626 0.133846 0.878907 H\n0.823626 0.366154 0.378907 H\n0.176374 0.866154 0.121093 H\n0.521171 0.334749 0.608089 H\n0.478829 0.834748 0.891911 H\n0.478829 0.665251 0.391911 H\n0.625647 0.777306 0.881889 H\n0.521171 0.165251 0.108089 H\n0.414654 0.525583 0.609338 H\n0.585346 0.025584 0.890661 H\n0.585346 0.474416 0.390661 H\n0.414654 0.974416 0.109338 H\n0.499986 0.381515 0.801582 H\n0.500014 0.881515 0.698417 H\n0.500014 0.618484 0.198417 H\n0.499986 0.118484 0.301583 H\n0.878209 0.886183 0.232364 N\n0.878209 0.613816 0.732364 N\n0.121791 0.386183 0.267636 N\n0.121791 0.113816 0.767635 N\n0.548736 0.615973 0.340969 N\n0.548736 0.884027 0.840968 N\n0.451265 0.384027 0.659031 N\n0.451265 0.115973 0.159031 N\n0.863527 0.239221 0.557372 O\n0.136473 0.739220 0.942627 O\n0.378188 0.775451 0.487901 O\n0.621812 0.275451 0.012099 O\n0.621812 0.224549 0.512098 O\n0.378188 0.724548 0.987901 O\n0.262693 0.087665 0.541636 O\n0.737308 0.587665 0.958363 O\n0.262693 0.412334 0.041636 O\n0.202631 0.969937 0.224353 O\n0.797370 0.469937 0.275647 O\n0.797370 0.030062 0.775647 O\n0.202631 0.530062 0.724352 O\n0.863527 0.260779 0.057372 O\n0.737308 0.912334 0.458363 O\n0.136473 0.760779 0.442628 O\n",
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"elements": [
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],
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}