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{
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{
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"structure_string": "As12 H4 O24\n1.0\n11.282963 0.000000 -5.510327\n0.000000 5.189806 0.000000\n-0.610911 0.000000 9.390378\nAs H O\n12 4 24\ndirect\n0.910346 0.113392 0.617498 As\n0.069221 0.536029 0.923357 As\n0.069221 0.963973 0.423357 As\n0.910346 0.386608 0.117498 As\n0.416798 0.606117 0.458961 As\n0.571559 0.356250 0.793826 As\n0.571559 0.143751 0.293826 As\n0.416798 -0.106117 -0.041039 As\n0.236749 0.360689 0.738650 As\n0.760127 0.872421 0.792537 As\n0.760127 0.627580 0.292537 As\n0.236749 0.139312 0.238650 As\n0.599133 0.571460 0.461227 H\n0.599133 0.928541 0.961227 H\n0.066759 0.486249 0.384857 H\n0.066759 0.013752 0.884858 H\n0.645719 0.642358 0.705181 O\n0.279848 0.037322 0.789168 O\n0.198139 0.026906 0.382798 O\n0.772817 0.522242 0.123319 O\n0.772817 -0.022242 0.623319 O\n0.198139 0.473094 0.882798 O\n0.474399 0.211181 0.082102 O\n0.516456 0.544097 0.366381 O\n0.516456 0.955904 0.866381 O\n0.474399 0.288819 0.582102 O\n0.344471 0.949779 0.237873 O\n0.034928 0.584040 0.279002 O\n0.708382 0.144195 0.854431 O\n0.344471 0.550222 0.737873 O\n0.103642 0.181376 0.051917 O\n0.892751 0.714996 0.456117 O\n0.892751 0.785006 0.956117 O\n0.103642 0.318624 0.551917 O\n0.645719 0.857643 0.205181 O\n0.937506 0.114910 0.262869 O\n0.937506 0.385090 0.762870 O\n0.034928 -0.084039 0.779003 O\n0.708382 0.355805 0.354431 O\n0.279848 0.462678 0.289168 O\n",
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{
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"updated_at": "2022-09-04T14:38:35.785751Z",
"structure_string": "Cr12 O28\n1.0\n5.284221 0.000000 0.000000\n0.000000 10.309131 0.000000\n-0.000000 0.000000 9.314880\nCr O\n12 28\ndirect\n0.249900 0.016686 0.312684 Cr\n0.750100 0.983314 0.687316 Cr\n0.250100 0.016686 0.812684 Cr\n0.249900 0.483314 0.312684 Cr\n0.250145 0.750000 0.703645 Cr\n0.750145 0.250000 0.796355 Cr\n0.749900 0.516686 0.187316 Cr\n0.249854 0.750000 0.203645 Cr\n0.250100 0.483314 0.812684 Cr\n0.750100 0.516686 0.687316 Cr\n0.749900 0.983314 0.187316 Cr\n0.749854 0.250000 0.296355 Cr\n0.749785 0.250000 0.467244 O\n0.020139 0.617160 0.761301 O\n0.250215 0.750000 0.532756 O\n0.750215 0.250000 0.967244 O\n0.249785 0.750000 0.032756 O\n0.249997 0.460813 0.480221 O\n0.750003 0.539186 0.519779 O\n0.749997 0.960814 0.019779 O\n0.249997 0.039187 0.480221 O\n0.749997 0.539186 0.019779 O\n0.520139 0.382840 0.738699 O\n0.250003 0.460813 0.980221 O\n0.979861 0.117160 0.238699 O\n0.480117 0.617166 0.761367 O\n0.979861 0.382840 0.238699 O\n0.479861 0.617160 0.261301 O\n0.020139 0.882840 0.761301 O\n0.520139 0.117160 0.738699 O\n0.250003 0.039187 0.980221 O\n0.980117 0.382834 0.738634 O\n0.519883 0.117166 0.238634 O\n0.019883 0.882834 0.261366 O\n0.519883 0.382834 0.238634 O\n0.019883 0.617166 0.261366 O\n0.480117 0.882834 0.761367 O\n0.980117 0.117166 0.738634 O\n0.479861 0.882840 0.261301 O\n0.750003 0.960814 0.519779 O\n",
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{
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"structure_string": "Ta12 Br28\n1.0\n9.721871 0.014116 0.000000\n-0.617668 9.702240 0.000000\n0.000000 0.000000 11.636650\nTa Br\n12 28\ndirect\n0.546616 0.337314 0.107857 Ta\n0.374091 0.374092 0.911043 Ta\n0.874091 0.874092 0.588957 Ta\n0.625908 0.625909 0.088957 Ta\n0.337314 0.546616 0.107857 Ta\n0.125908 0.125909 0.411043 Ta\n0.046616 0.837314 0.392143 Ta\n0.453384 0.662686 0.892143 Ta\n0.662686 0.453384 0.892143 Ta\n0.837314 0.046617 0.392143 Ta\n0.162686 0.953384 0.607857 Ta\n0.953384 0.162686 0.607857 Ta\n0.719784 0.470118 0.247767 Br\n0.470118 0.719784 0.247767 Br\n0.029882 0.780216 0.747767 Br\n0.219784 0.970118 0.252233 Br\n0.280216 0.529882 0.752233 Br\n0.529882 0.280216 0.752233 Br\n0.970118 0.219785 0.252233 Br\n0.780216 0.029882 0.747767 Br\n0.106763 0.606763 0.250000 Br\n0.743789 0.256211 0.500000 Br\n0.393236 0.893237 0.750000 Br\n0.893236 0.393237 0.750000 Br\n0.606763 0.106764 0.250000 Br\n0.137975 0.388728 0.013503 Br\n0.362025 0.111273 0.513503 Br\n0.888727 0.637975 0.486497 Br\n0.611272 0.862025 0.986497 Br\n0.243789 0.756211 0.000000 Br\n0.862025 0.611273 0.986497 Br\n0.111272 0.362025 0.513503 Br\n0.388728 0.137975 0.013503 Br\n0.358903 0.358903 0.270393 Br\n0.141097 0.141097 0.770393 Br\n0.858903 0.858904 0.229607 Br\n0.641097 0.641097 0.729607 Br\n0.756210 0.243790 0.000000 Br\n0.637975 0.888728 0.486497 Br\n0.256210 0.743790 0.500000 Br\n",
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{
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"structure_string": "Th4 Se8 O28\n1.0\n7.054938 0.014153 0.000000\n-2.038080 8.851224 0.000000\n0.000000 0.000000 9.652907\nTh Se O\n4 8 28\ndirect\n0.789971 0.132984 0.460006 Th\n0.789970 0.632983 0.039994 Th\n0.210030 0.867016 0.539994 Th\n0.210030 0.367016 0.960006 Th\n0.671966 0.248045 0.096142 Se\n0.877586 0.983260 0.819408 Se\n0.122414 0.516739 0.319408 Se\n0.671966 0.748044 0.403858 Se\n0.122414 0.016739 0.180592 Se\n0.328034 0.751955 0.903858 Se\n0.328034 0.251955 0.596142 Se\n0.877586 0.483260 0.680592 Se\n0.271941 0.646348 0.414872 O\n0.257492 0.474654 0.191258 O\n0.548528 0.889994 0.442589 O\n0.271941 0.146348 0.085128 O\n0.103644 0.124585 0.562084 O\n0.952612 0.136793 0.915250 O\n0.451472 0.110005 0.557411 O\n0.896356 0.875414 0.437917 O\n0.952612 0.636793 0.584751 O\n0.060478 0.406437 0.732448 O\n0.896356 0.375414 0.062083 O\n0.728059 0.353651 0.585129 O\n0.060478 0.906437 0.767552 O\n0.742508 0.025346 0.691259 O\n0.658716 0.245775 0.273082 O\n0.341284 0.754225 0.726919 O\n0.257492 0.974653 0.308742 O\n0.728059 0.853651 0.914872 O\n0.939522 0.093562 0.232448 O\n0.341284 0.254225 0.773082 O\n0.548528 0.389994 0.057411 O\n0.047388 0.363206 0.415250 O\n0.451472 0.610005 0.942589 O\n0.103644 0.624585 0.937917 O\n0.742508 0.525346 0.808742 O\n0.047388 0.863206 0.084750 O\n0.939522 0.593562 0.267552 O\n0.658716 0.745774 0.226918 O\n",
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{
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"structure_string": "Li12 H24 Ir4\n1.0\n8.492110 -0.000000 0.000000\n-0.000000 4.752113 0.000000\n0.000000 0.000000 8.472122\nLi H Ir\n12 24 4\ndirect\n0.540714 0.250000 0.869265 Li\n0.770557 0.750000 0.758831 Li\n0.270557 0.750000 0.741168 Li\n0.229443 0.250000 0.241168 Li\n0.602915 0.750000 0.478542 Li\n0.102915 0.750000 0.021458 Li\n0.729443 0.250000 0.258832 Li\n0.897085 0.250000 0.978542 Li\n0.959286 0.750000 0.369265 Li\n0.459286 0.750000 0.130735 Li\n0.040714 0.250000 0.630735 Li\n0.397085 0.250000 0.521458 Li\n0.387476 0.750000 0.559471 H\n0.104712 0.495644 0.820787 H\n0.612524 0.250000 0.440529 H\n0.112524 0.250000 0.059471 H\n0.887476 0.750000 0.940529 H\n0.225673 0.250000 0.896886 H\n0.334239 0.250000 0.733681 H\n0.165761 0.750000 0.233681 H\n0.665761 0.750000 0.266318 H\n0.725673 0.250000 0.603113 H\n0.604712 0.004356 0.679212 H\n0.834239 0.250000 0.766318 H\n0.895288 0.995643 0.179212 H\n0.345901 0.498625 0.971226 H\n0.895288 0.504356 0.179212 H\n0.395288 0.995643 0.320788 H\n0.104712 0.004356 0.820787 H\n0.604712 0.495644 0.679212 H\n0.274327 0.750000 0.396886 H\n0.845901 0.001375 0.528774 H\n0.654099 -0.001375 0.028774 H\n0.154099 0.501375 0.471226 H\n0.654099 0.501375 0.028774 H\n0.154099 -0.001375 0.471226 H\n0.345901 0.001375 0.971226 Ir\n0.845901 0.498625 0.528774 Ir\n0.395288 0.504356 0.320788 Ir\n0.774327 0.750000 0.103113 Ir\n",
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