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{
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{
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{
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{
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{
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{
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"structure_string": "B2 S1 O2\n1.0\n2.539718 -0.000000 -0.000000\n-1.269859 2.199460 -0.000000\n0.000000 0.000000 7.609790\nB S O\n2 1 2\ndirect\n0.666668 0.333334 0.255798 B\n0.333334 0.666667 0.744201 B\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.325801 O\n0.666668 0.333334 0.674198 O\n",
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{
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"structure_string": "B4 S4 F28\n1.0\n5.534003 0.000000 0.000000\n0.000000 8.998796 0.000000\n0.000000 0.000000 9.201644\nB S F\n4 4 28\ndirect\n0.750000 0.162811 0.481021 B\n0.750000 0.337189 0.981021 B\n0.250000 0.662811 0.018979 B\n0.250000 0.837190 0.518979 B\n0.250000 0.392033 0.771123 S\n0.750000 0.607968 0.228877 S\n0.750000 0.892033 0.728877 S\n0.250000 0.107968 0.271123 S\n0.250000 0.234032 0.706225 F\n0.750000 0.159816 0.635286 F\n0.250000 0.840184 0.364714 F\n0.250000 0.659817 0.864714 F\n0.750000 0.340184 0.135286 F\n0.750000 0.482066 0.926521 F\n0.250000 0.982067 0.573478 F\n0.250000 0.517934 0.073478 F\n0.750000 0.765969 0.293775 F\n0.541106 0.239745 0.430680 F\n0.041106 0.760255 0.569320 F\n0.750000 0.017934 0.426522 F\n0.750000 0.734032 0.793775 F\n0.459469 0.046834 0.175151 F\n0.540530 0.546835 0.324848 F\n0.040531 0.453166 0.675151 F\n0.458893 0.739745 0.069320 F\n0.959469 0.953166 0.824848 F\n0.459469 0.453166 0.675151 F\n0.959469 0.546835 0.324848 F\n0.540530 0.953166 0.824848 F\n0.040531 0.046834 0.175151 F\n0.541106 0.260255 0.930680 F\n0.958893 0.239745 0.430680 F\n0.458893 0.760255 0.569320 F\n0.041106 0.739745 0.069320 F\n0.250000 0.265968 0.206225 F\n0.958893 0.260255 0.930680 F\n",
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{
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"structure_string": "B4 Pd4 Ir4\n1.0\n5.245237 0.002768 -1.832695\n-2.249250 4.738501 -1.832695\n0.000790 0.001252 6.125853\nB Pd Ir\n4 4 4\ndirect\n0.055441 0.935006 0.527146 B\n0.685007 0.305442 0.027147 B\n0.407861 0.528297 0.472855 B\n0.278297 0.657860 0.972854 B\n0.934531 0.109907 0.228638 Pd\n0.455895 0.131270 0.271364 Pd\n0.859908 0.184530 0.728638 Pd\n0.881271 0.705894 0.771363 Pd\n0.104808 0.627586 0.233897 Ir\n0.377586 0.354808 0.733896 Ir\n0.620912 0.643688 0.266105 Ir\n0.393688 0.870911 0.766104 Ir\n",
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{
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"structure_string": "B1 Pd2 Br1\n1.0\n-0.000002 3.163675 3.163665\n3.163668 -0.000001 3.163664\n3.163671 3.163676 -0.000004\nB Pd Br\n1 2 1\ndirect\n0.500001 0.500000 0.500000 B\n0.000000 0.999999 0.000003 Pd\n0.750001 0.750000 0.750001 Pd\n0.249999 0.250001 0.249999 Br\n",
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}