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{
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{
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{
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"structure_string": "Na8 H24 O16\n1.0\n11.916127 0.000000 0.000000\n0.000000 6.111912 0.000000\n0.000000 0.026014 6.152660\nNa H O\n8 24 16\ndirect\n0.552655 0.793996 0.368492 Na\n0.446817 0.709594 0.863936 Na\n0.946817 0.290406 0.636064 Na\n0.052655 0.206004 0.131508 Na\n0.447345 0.206004 0.631508 Na\n0.553183 0.290406 0.136064 Na\n0.053183 0.709594 0.363936 Na\n0.947345 0.793996 0.868492 Na\n0.865949 0.059463 0.222506 H\n0.870153 0.887404 0.435129 H\n0.129330 0.606195 0.923884 H\n0.129169 0.441826 0.706611 H\n0.629330 0.393805 0.576116 H\n0.629169 0.558174 0.793389 H\n0.370153 0.112596 0.064871 H\n0.365949 0.940537 0.277494 H\n0.129847 0.112596 0.564871 H\n0.134051 0.940537 0.777494 H\n0.870670 0.393805 0.076116 H\n0.870831 0.558174 0.293389 H\n0.370831 0.441826 0.206611 H\n0.370670 0.606195 0.423884 H\n0.634051 0.059463 0.722506 H\n0.629847 0.887404 0.935129 H\n0.703811 0.122880 0.428900 H\n0.297543 0.376551 0.917587 H\n0.797543 0.623449 0.582413 H\n0.203811 0.877120 0.071100 H\n0.296189 0.877120 0.571100 H\n0.702457 0.623449 0.082413 H\n0.202457 0.376551 0.417587 H\n0.796189 0.122880 0.928900 H\n0.876192 0.045804 0.385781 O\n0.120302 0.450410 0.871082 O\n0.620302 0.549590 0.628918 O\n0.376192 0.954196 0.114219 O\n0.123808 0.954196 0.614219 O\n0.879698 0.549590 0.128918 O\n0.379698 0.450410 0.371082 O\n0.623808 0.045804 0.885781 O\n0.624480 0.141244 0.465086 O\n0.376956 0.361302 0.953831 O\n0.876956 0.638698 0.546169 O\n0.124480 0.858756 0.034914 O\n0.375520 0.858756 0.534914 O\n0.623044 0.638698 0.046169 O\n0.123044 0.361302 0.453831 O\n0.875520 0.141244 0.965086 O\n",
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{
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{
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"structure_string": "Cu2 H16 N4 O4 F8\n1.0\n6.015381 0.000000 0.000000\n0.000000 5.872146 0.000000\n0.000000 0.654857 7.911629\nCu H N O F\n2 16 4 4 8\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.668037 0.979435 0.260068 H\n0.168037 0.520565 0.739932 H\n0.331963 0.020565 0.739932 H\n0.831963 0.479435 0.260068 H\n0.406885 0.957402 0.167358 H\n0.906885 0.542598 0.832642 H\n0.593115 0.042598 0.832642 H\n0.093115 0.457402 0.167358 H\n0.455243 0.138938 0.322363 H\n0.955243 0.361062 0.677637 H\n0.544757 0.861062 0.677637 H\n0.044757 0.638937 0.322363 H\n0.470468 0.664474 0.352415 H\n0.970468 0.835526 0.647585 H\n0.529532 0.335526 0.647585 H\n0.029532 0.164474 0.352415 H\n0.495228 0.983208 0.278665 N\n0.995228 0.516792 0.721335 N\n0.504772 0.016792 0.721335 N\n0.004772 0.483208 0.278665 N\n0.430601 0.810138 0.405606 O\n0.930601 0.689862 0.594394 O\n0.569399 0.189862 0.594394 O\n0.069399 0.310138 0.405606 O\n0.264013 0.816426 0.027532 F\n0.764013 0.683574 0.972468 F\n0.735987 0.183574 0.972468 F\n0.235987 0.316426 0.027532 F\n0.548754 0.468865 0.247413 F\n0.048754 0.031135 0.752587 F\n0.451246 0.531135 0.752587 F\n0.951246 0.968865 0.247413 F\n",
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{
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{
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