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{
"id": "jvasp-96962",
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{
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"structure_string": "K6 Na2 Sn6 Se16\n1.0\n8.142403 0.000000 0.000000\n-0.000000 8.142403 0.000000\n0.000000 0.000000 13.823130\nK Na Sn Se\n6 2 6 16\ndirect\n0.250000 0.250000 0.725471 K\n0.750000 0.750000 0.725471 K\n0.750000 0.750000 0.274529 K\n0.250000 0.250000 0.274529 K\n0.750000 0.750000 0.000000 K\n0.250000 0.250000 0.000000 K\n0.250000 0.750000 0.000000 Na\n0.750000 0.250000 0.000000 Na\n0.250000 0.750000 0.500000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.243522 Sn\n0.250000 0.750000 0.756478 Sn\n0.750000 0.250000 0.243522 Sn\n0.750000 0.250000 0.756478 Sn\n0.434591 0.565408 0.143751 Se\n0.417826 0.917826 0.376117 Se\n0.917826 0.417826 0.623883 Se\n0.917826 0.082173 0.376117 Se\n0.065409 0.565408 0.856249 Se\n0.082173 0.917826 0.623883 Se\n0.565408 0.065409 0.143751 Se\n0.582173 0.082173 0.623883 Se\n0.934591 0.434591 0.143751 Se\n0.934591 0.065409 0.856249 Se\n0.582173 0.417826 0.376117 Se\n0.082173 0.582173 0.376117 Se\n0.434591 0.934591 0.856249 Se\n0.417826 0.582173 0.623883 Se\n0.065409 0.934591 0.143751 Se\n0.565408 0.434591 0.856249 Se\n",
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{
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"structure_string": "C32 S8 O16\n1.0\n5.912146 0.000000 0.000000\n0.000000 9.373466 0.000000\n0.000000 0.000000 13.792304\nC S O\n32 8 16\ndirect\n0.773944 0.408304 0.437888 C\n0.092848 0.724250 0.301209 C\n0.184998 0.844434 0.464499 C\n0.550213 0.968713 0.021132 C\n0.184998 0.344434 0.035501 C\n0.029342 0.656530 0.205581 C\n0.226056 0.908304 0.562112 C\n0.449788 0.468713 0.978868 C\n0.815002 0.844434 0.964499 C\n0.709985 0.281083 0.736366 C\n0.251645 0.219764 0.334216 C\n0.092848 0.224250 0.198791 C\n0.815002 0.344434 0.535501 C\n0.251645 0.719764 0.165784 C\n0.773944 0.908304 0.062112 C\n0.907152 0.724250 0.801209 C\n0.382899 0.399915 0.073381 C\n0.617101 0.899915 0.926619 C\n0.617101 0.399915 0.573381 C\n0.748356 0.719764 0.665784 C\n0.748356 0.219764 0.834216 C\n0.970658 0.156530 0.794418 C\n0.970658 0.656530 0.705581 C\n0.290015 0.281083 0.236366 C\n0.029342 0.156530 0.294419 C\n0.382899 0.899915 0.426619 C\n0.550213 0.468713 0.478868 C\n0.290015 0.781083 0.263634 C\n0.226056 0.408304 0.937888 C\n0.907152 0.224250 0.698791 C\n0.449788 0.968713 0.521132 C\n0.709985 0.781083 0.763634 C\n0.025760 0.740805 0.914504 S\n0.974240 0.240804 0.085495 S\n0.504145 0.890429 0.811060 S\n0.495856 0.390429 0.188939 S\n0.974240 0.740805 0.414504 S\n0.504145 0.390429 0.688939 S\n0.025760 0.240804 0.585495 S\n0.495856 0.890429 0.311061 S\n0.650208 0.721101 0.588250 O\n0.605864 0.538438 0.947694 O\n0.873866 0.588397 0.172158 O\n0.605864 0.038438 0.552305 O\n0.873489 0.413650 0.360872 O\n0.650208 0.221101 0.911750 O\n0.394137 0.038438 0.052305 O\n0.873866 0.088397 0.327842 O\n0.126135 0.088397 0.827842 O\n0.349793 0.721101 0.088250 O\n0.126135 0.588397 0.672158 O\n0.126512 0.413650 0.860872 O\n0.126512 0.913650 0.639128 O\n0.349793 0.221101 0.411750 O\n0.873489 0.913650 0.139128 O\n0.394137 0.538438 0.447694 O\n",
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{
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"structure_string": "Sm4 Cu4 S8\n1.0\n0.000000 6.440344 0.007069\n7.131200 0.000000 0.000000\n0.000000 -0.891927 -6.778079\nSm Cu S\n4 4 8\ndirect\n0.808178 0.951038 0.199117 Sm\n0.191821 0.451038 0.300883 Sm\n0.191821 0.048962 0.800883 Sm\n0.808178 0.548962 0.699117 Sm\n0.422864 0.661757 0.949755 Cu\n0.577135 0.338243 0.050245 Cu\n0.577134 0.161757 0.550245 Cu\n0.422865 0.838243 0.449755 Cu\n0.079521 0.726042 0.999393 S\n0.920478 0.226042 0.500607 S\n0.920478 0.273958 0.000607 S\n0.079521 0.773958 0.499393 S\n0.406800 0.113151 0.218815 S\n0.406799 0.386849 0.718815 S\n0.593199 0.886849 0.781185 S\n0.593200 0.613151 0.281185 S\n",
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{
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"structure_string": "Ag8 N24 O32\n1.0\n5.737896 -0.000000 0.000000\n-0.000000 9.489182 0.000000\n0.000000 0.000000 14.086351\nAg N O\n8 24 32\ndirect\n0.071263 0.409572 0.636158 Ag\n0.928738 0.909572 0.863842 Ag\n0.571264 0.090428 0.363842 Ag\n0.571264 0.409572 0.863842 Ag\n0.071263 0.090428 0.136158 Ag\n0.428737 0.590427 0.136158 Ag\n0.928738 0.590427 0.363842 Ag\n0.428737 0.909572 0.636158 Ag\n0.149025 0.851146 0.460506 N\n0.087265 0.691899 0.870172 N\n0.573746 0.911146 0.196371 N\n0.649026 0.648853 0.539494 N\n0.926255 0.411146 0.196371 N\n0.087265 0.808101 0.370172 N\n0.573746 0.588853 0.696371 N\n0.412735 0.191899 0.870172 N\n0.850975 0.351146 0.039494 N\n0.587265 0.691899 0.629828 N\n0.912736 0.308101 0.129828 N\n0.149025 0.648853 0.960506 N\n0.850975 0.148854 0.539494 N\n0.587265 0.808101 0.129828 N\n0.426255 0.411146 0.303628 N\n0.426255 0.088853 0.803628 N\n0.073745 0.911146 0.303628 N\n0.350975 0.351146 0.460506 N\n0.073745 0.588853 0.803628 N\n0.926255 0.088853 0.696371 N\n0.412735 0.308101 0.370172 N\n0.912736 0.191899 0.629828 N\n0.350975 0.148854 0.960506 N\n0.649026 0.851146 0.039494 N\n0.746993 0.035016 0.523740 O\n0.583866 0.632670 0.781162 O\n0.540262 0.038336 0.177109 O\n0.916136 0.367330 0.281162 O\n0.611905 0.738407 0.477087 O\n0.388096 0.261593 0.522912 O\n0.611905 0.761593 0.977087 O\n0.416135 0.367330 0.218838 O\n0.459739 0.961664 0.822891 O\n0.753008 0.535015 0.523740 O\n0.959739 0.538336 0.177109 O\n0.753008 0.964984 0.023740 O\n0.416135 0.132670 0.718838 O\n0.888097 0.261593 0.977087 O\n0.246993 0.464984 0.476260 O\n0.246993 0.035016 0.976260 O\n0.540262 0.461664 0.677109 O\n0.111904 0.761593 0.522912 O\n0.959739 0.961664 0.677109 O\n0.459739 0.538336 0.322891 O\n0.746993 0.464984 0.023740 O\n0.040262 0.461664 0.822891 O\n0.040262 0.038336 0.322891 O\n0.253008 0.535015 0.976260 O\n0.888097 0.238407 0.477087 O\n0.083865 0.867330 0.218838 O\n0.388096 0.238407 0.022912 O\n0.111904 0.738407 0.022912 O\n0.916136 0.132670 0.781162 O\n0.583866 0.867330 0.281162 O\n0.083865 0.632670 0.718838 O\n0.253008 0.964984 0.476260 O\n",
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{
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"structure_string": "Rb2 Fe4 Se6\n1.0\n5.366296 0.000000 0.000000\n-0.000000 7.214818 -1.469129\n-0.000000 -0.034177 7.362797\nRb Fe Se\n2 4 6\ndirect\n0.250000 0.330039 0.669961 Rb\n0.750001 0.669961 0.330039 Rb\n0.000000 0.140612 0.140612 Fe\n0.500000 0.859388 0.859388 Fe\n0.000000 0.859388 0.859388 Fe\n0.500000 0.140612 0.140612 Fe\n0.750001 0.168642 0.391126 Se\n0.250000 0.831358 0.608874 Se\n0.750001 0.118793 0.881207 Se\n0.250000 0.881206 0.118794 Se\n0.750001 0.608874 0.831358 Se\n0.250000 0.391126 0.168642 Se\n",
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}