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{
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{
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{
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{
"id": "mp-1245311",
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"structure_string": "Ba50 O50\n1.0\n13.952266 -0.387149 0.151048\n-0.407562 13.938550 -0.464359\n0.141963 -0.436385 13.628525\nBa O\n50 50\ndirect\n0.504869 0.268225 0.776141 Ba\n0.967781 0.828696 0.601817 Ba\n0.885909 0.184933 0.077911 Ba\n0.129794 0.839146 0.027994 Ba\n0.139166 0.088165 0.099641 Ba\n0.751927 0.951715 0.514350 Ba\n0.747876 0.607211 0.452825 Ba\n0.891117 0.880409 0.149298 Ba\n0.936555 0.517206 0.632312 Ba\n0.935352 0.998523 0.847056 Ba\n0.717049 0.662143 0.148273 Ba\n0.244965 0.140781 0.558663 Ba\n0.438572 0.898683 0.742446 Ba\n0.174567 0.538718 0.992509 Ba\n0.773104 0.269041 0.578391 Ba\n0.446678 0.174480 0.247013 Ba\n0.322128 0.286584 0.012195 Ba\n0.208471 0.869355 0.308091 Ba\n0.082860 0.352555 0.161247 Ba\n0.691124 0.109268 0.310692 Ba\n0.706555 0.530364 0.829387 Ba\n0.685356 0.003698 0.039382 Ba\n0.540748 0.883348 0.228419 Ba\n0.222403 0.561697 0.398781 Ba\n0.924961 0.699650 0.898660 Ba\n0.465049 0.028609 0.499099 Ba\n0.198072 0.051989 0.797007 Ba\n0.989797 0.387619 0.409667 Ba\n0.991297 0.143533 0.606908 Ba\n0.410873 0.002913 0.004816 Ba\n0.343875 0.704509 0.144260 Ba\n0.010428 0.685244 0.337334 Ba\n0.985692 0.081682 0.332846 Ba\n0.455827 0.514020 0.951984 Ba\n0.548510 0.760594 0.973713 Ba\n0.589790 0.291183 0.044969 Ba\n0.720052 0.762016 0.685132 Ba\n0.244092 0.847058 0.568754 Ba\n0.240799 0.278288 0.345083 Ba\n0.261772 0.733459 0.833099 Ba\n0.747600 0.382295 0.283170 Ba\n0.495056 0.500864 0.246893 Ba\n0.774796 0.274001 0.854242 Ba\n0.483902 0.349478 0.474360 Ba\n0.884175 0.479006 0.075784 Ba\n0.476832 0.591460 0.670991 Ba\n0.056255 0.288005 0.845273 Ba\n0.267668 0.400476 0.711394 Ba\n0.520421 0.789363 0.487094 Ba\n0.671852 0.026853 0.769454 Ba\n0.548530 0.929736 0.899697 O\n0.329660 0.007057 0.648182 O\n0.364148 0.878155 0.434994 O\n0.605239 0.653163 0.561060 O\n0.032975 0.411763 0.990409 O\n0.579350 0.909200 0.622422 O\n0.061143 0.996104 0.686116 O\n0.188280 0.686561 0.261126 O\n0.606475 0.960239 0.394804 O\n0.388011 0.186530 0.438505 O\n0.787682 0.594634 0.977530 O\n0.815802 0.782662 0.508353 O\n0.079340 0.941369 0.195786 O\n0.260740 0.913262 0.899372 O\n0.339404 0.655224 0.963797 O\n0.286064 0.426136 0.891088 O\n0.573899 0.638067 0.826008 O\n0.867279 0.662729 0.720068 O\n0.363033 0.736382 0.661442 O\n0.095540 0.827924 0.454010 O\n0.451390 0.187018 0.944591 O\n0.791899 0.105833 0.910789 O\n0.559869 0.055672 0.168383 O\n0.451819 0.396002 0.092147 O\n0.045466 0.554330 0.490509 O\n0.930905 0.411226 0.242496 O\n0.774233 0.325068 0.068766 O\n0.029135 0.186646 0.199258 O\n0.512412 0.648491 0.136267 O\n0.609138 0.381314 0.884633 O\n0.099302 0.181505 0.455511 O\n0.661782 0.200751 0.714394 O\n0.908203 0.292658 0.712878 O\n0.064954 0.135467 0.931389 O\n0.816669 0.438672 0.505547 O\n0.814062 0.933200 0.701187 O\n0.370367 0.442774 0.390326 O\n0.190015 0.235754 0.712696 O\n0.814413 0.057471 0.185675 O\n0.382959 0.876483 0.133967 O\n0.889199 0.711679 0.207412 O\n0.147836 0.419478 0.320233 O\n0.435979 0.395369 0.659797 O\n0.965004 0.871881 0.971307 O\n0.679435 0.836256 0.099628 O\n0.843152 0.123399 0.475328 O\n0.673212 0.538124 0.289098 O\n0.104933 0.674536 0.917277 O\n0.593762 0.275056 0.309080 O\n0.275472 0.201477 0.170545 O\n",
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{
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"structure_string": "Zn4 H8 O8\n1.0\n4.871765 0.000000 0.000000\n0.000000 5.063481 0.000000\n0.000000 0.000000 8.752255\nZn H O\n4 8 8\ndirect\n0.067570 0.642226 0.123390 Zn\n0.932430 0.142226 0.376610 Zn\n0.567570 0.857774 0.876610 Zn\n0.432430 0.357774 0.623390 Zn\n0.257409 0.175215 0.158357 H\n0.742591 0.675215 0.341643 H\n0.757409 0.324785 0.841643 H\n0.242591 0.824785 0.658357 H\n0.030919 0.641940 0.847283 H\n0.969081 0.141940 0.652717 H\n0.530919 0.858060 0.152717 H\n0.469081 0.358060 0.347283 H\n0.188286 0.316113 0.228961 O\n0.811714 0.816113 0.271039 O\n0.688286 0.183887 0.771039 O\n0.311714 0.683887 0.728961 O\n0.879131 0.611773 0.922884 O\n0.120869 0.111773 0.577116 O\n0.379131 0.888227 0.077116 O\n0.620869 0.388227 0.422884 O\n",
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{
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"structure_string": "Na20 Y4 C16 O48\n1.0\n10.208517 0.000000 0.000000\n0.000000 8.876306 0.000000\n0.000000 0.057870 12.365705\nNa Y C O\n20 4 16 48\ndirect\n0.625538 0.453339 0.074616 Na\n0.374307 0.195488 0.788428 Na\n0.823119 0.987021 0.365497 Na\n0.920284 0.576766 0.598707 Na\n0.872994 0.584455 0.894881 Na\n0.125693 0.695488 0.788428 Na\n0.079716 0.423234 0.401293 Na\n0.874307 0.304512 0.211572 Na\n0.627006 0.084455 0.894881 Na\n0.676881 0.487021 0.365497 Na\n0.125538 0.046661 0.925384 Na\n0.127006 0.415545 0.105119 Na\n0.579716 0.076766 0.598707 Na\n0.420284 0.923234 0.401293 Na\n0.874462 0.953339 0.074616 Na\n0.176881 0.012979 0.634503 Na\n0.625693 0.804512 0.211572 Na\n0.323119 0.512979 0.634503 Na\n0.374462 0.546661 0.925384 Na\n0.372994 0.915545 0.105119 Na\n0.376302 0.285351 0.276397 Y\n0.623698 0.714649 0.723603 Y\n0.123698 0.785351 0.276397 Y\n0.876302 0.214649 0.723603 Y\n0.865770 0.261978 0.496264 C\n0.365770 0.238022 0.503736 C\n0.618419 0.142682 0.218306 C\n0.391529 0.244728 0.013211 C\n0.866328 0.888514 0.722279 C\n0.133672 0.111486 0.277721 C\n0.134230 0.738022 0.503736 C\n0.634230 0.761978 0.496264 C\n0.633672 0.388514 0.722279 C\n0.381581 0.857318 0.781694 C\n0.108471 0.744728 0.013211 C\n0.366328 0.611486 0.277721 C\n0.118419 0.357318 0.781694 C\n0.891529 0.255272 0.986789 C\n0.881581 0.642682 0.218306 C\n0.608471 0.755272 0.986789 C\n0.836698 0.380088 0.013128 O\n0.847540 0.176127 0.903914 O\n0.652460 0.676127 0.903914 O\n0.868001 0.743546 0.731504 O\n0.746945 0.457069 0.728813 O\n0.753055 0.957069 0.728813 O\n0.989827 0.564085 0.222820 O\n0.298998 0.349503 0.461962 O\n0.368001 0.756454 0.268496 O\n0.988557 0.200838 0.042498 O\n0.511443 0.700838 0.042498 O\n0.489827 0.935915 0.777180 O\n0.970219 0.968105 0.706906 O\n0.151776 0.688834 0.599861 O\n0.348224 0.188834 0.599861 O\n0.798998 0.150497 0.538038 O\n0.701002 0.650497 0.538038 O\n0.131999 0.256454 0.268496 O\n0.394250 0.711048 0.770874 O\n0.011443 0.799162 0.957502 O\n0.954812 0.323728 0.559641 O\n0.510173 0.064085 0.222820 O\n0.529781 0.468105 0.706906 O\n0.201002 0.849503 0.461962 O\n0.730966 0.081446 0.206040 O\n0.230966 0.418554 0.793960 O\n0.045188 0.676272 0.440359 O\n0.663302 0.880088 0.013128 O\n0.488557 0.299162 0.957502 O\n0.152460 0.823873 0.096086 O\n0.848224 0.311166 0.400139 O\n0.894250 0.788952 0.229126 O\n0.769034 0.581446 0.206040 O\n0.029781 0.031895 0.293094 O\n0.631999 0.243546 0.731504 O\n0.163302 0.619912 0.986872 O\n0.010173 0.435915 0.777180 O\n0.651776 0.811166 0.400139 O\n0.347540 0.323873 0.096086 O\n0.605750 0.288952 0.229126 O\n0.269034 0.918554 0.793960 O\n0.454812 0.176272 0.440359 O\n0.470219 0.531895 0.293094 O\n0.253055 0.542931 0.271187 O\n0.545188 0.823728 0.559641 O\n0.336698 0.119912 0.986872 O\n0.246945 0.042931 0.271187 O\n0.105750 0.211048 0.770874 O\n",
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{
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{
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