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{
"id": "jvasp-98736",
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"structure_string": "Nd20 Ir12\n1.0\n6.590318 -0.000000 0.000000\n0.000000 11.226961 -0.000000\n-0.000000 0.000000 11.226961\nNd Ir\n20 12\ndirect\n0.118055 0.042096 0.340158 Nd\n0.500000 0.750000 0.250000 Nd\n0.500000 0.250000 0.750000 Nd\n0.000000 0.250000 0.750000 Nd\n0.000000 0.750000 0.250000 Nd\n0.618055 0.159842 0.457904 Nd\n0.618055 0.042096 0.159842 Nd\n0.618055 0.457904 0.340158 Nd\n0.881945 0.542096 0.840157 Nd\n0.881945 0.659842 0.542096 Nd\n0.618055 0.340158 0.042096 Nd\n0.881945 0.957904 0.659842 Nd\n0.381945 0.659842 0.957904 Nd\n0.381945 0.840157 0.542096 Nd\n0.381945 0.957904 0.840157 Nd\n0.381945 0.542096 0.659842 Nd\n0.118055 0.457904 0.159842 Nd\n0.118055 0.340158 0.457904 Nd\n0.118055 0.159842 0.042096 Nd\n0.881945 0.840157 0.957904 Nd\n0.118939 0.750000 0.750000 Ir\n0.381061 0.250000 0.250000 Ir\n0.750000 0.096303 0.903697 Ir\n0.750000 0.596303 0.096303 Ir\n0.750000 0.903697 0.403697 Ir\n0.250000 0.096303 0.596303 Ir\n0.250000 0.903697 0.096303 Ir\n0.250000 0.403697 0.903697 Ir\n0.250000 0.596303 0.403697 Ir\n0.618939 0.750000 0.750000 Ir\n0.750000 0.403697 0.596303 Ir\n0.881061 0.250000 0.250000 Ir\n",
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{
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{
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"updated_at": "2022-09-04T14:36:04.756395Z",
"structure_string": "K4 Pd8 F20\n1.0\n6.104313 0.000000 0.000000\n0.000000 7.487439 0.000000\n0.000000 0.000000 10.727214\nK Pd F\n4 8 20\ndirect\n0.483793 0.750000 0.865531 K\n0.983793 0.750000 0.634468 K\n0.516206 0.250000 0.134468 K\n0.016207 0.250000 0.365532 K\n0.309556 0.750000 0.213755 Pd\n0.690444 0.250000 0.786245 Pd\n0.190444 0.250000 0.713755 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.809555 0.750000 0.286245 Pd\n0.179273 0.066910 0.579674 F\n0.679272 0.433090 0.920326 F\n0.820727 0.566910 0.420326 F\n0.320727 0.933090 0.079674 F\n0.708648 0.053829 0.661120 F\n0.549554 0.250000 0.399543 F\n0.049555 0.250000 0.100456 F\n0.679272 0.066910 0.920326 F\n0.179273 0.433090 0.579674 F\n0.320727 0.566910 0.079674 F\n0.820727 0.933090 0.420326 F\n0.208648 0.053829 0.838880 F\n0.708648 0.446172 0.661120 F\n0.791352 0.553829 0.161120 F\n0.291352 0.946172 0.338880 F\n0.791352 0.946172 0.161120 F\n0.291352 0.553829 0.338880 F\n0.208648 0.446172 0.838880 F\n0.950445 0.750000 0.899543 F\n0.450445 0.750000 0.600456 F\n",
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{
"id": "jvasp-91359",
"created_at": "2022-09-04T14:35:59.198502Z",
"updated_at": "2022-09-04T14:35:59.198519Z",
"structure_string": "Hg8 C8 N16\n1.0\n6.635792 0.000000 0.000000\n-0.000000 6.997311 0.000000\n0.000000 0.000000 10.676588\nHg C N\n8 8 16\ndirect\n0.654173 0.293637 0.871281 Hg\n0.345827 0.793637 0.628720 Hg\n0.845827 0.706363 0.371281 Hg\n0.345827 0.706363 0.128719 Hg\n0.845827 0.793637 0.871281 Hg\n0.654173 0.206363 0.371281 Hg\n0.154173 0.293637 0.628720 Hg\n0.154173 0.206363 0.128719 Hg\n0.665209 0.399975 0.614399 C\n0.334791 0.600025 0.385601 C\n0.834791 0.899975 0.614399 C\n0.665209 0.100025 0.114399 C\n0.165209 0.399975 0.885602 C\n0.165209 0.100025 0.385601 C\n0.834791 0.600025 0.114399 C\n0.334791 0.899975 0.885602 C\n0.425520 0.944161 0.789030 N\n0.238650 0.625871 0.482946 N\n0.738650 0.874129 0.517054 N\n0.761350 0.125871 0.017054 N\n0.261350 0.374129 0.982946 N\n0.761350 0.374129 0.517054 N\n0.261350 0.125871 0.482946 N\n0.238650 0.874129 0.982946 N\n0.738650 0.625871 0.017054 N\n0.574480 0.055839 0.210971 N\n0.074480 0.444161 0.789030 N\n0.574480 0.444161 0.710971 N\n0.425520 0.555839 0.289030 N\n0.074480 0.055839 0.289030 N\n0.925520 0.555839 0.210971 N\n0.925520 0.944161 0.710971 N\n",
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{
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"created_at": "2022-09-04T14:38:19.161707Z",
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"structure_string": "K12 As4 S16\n1.0\n9.082919 0.000000 0.000000\n0.000000 9.325500 0.000000\n0.000000 0.000000 10.556611\nK As S\n12 4 16\ndirect\n0.942164 0.700026 0.007174 K\n0.360054 0.583561 0.713176 K\n0.860054 0.916439 0.713176 K\n0.139946 0.083561 0.213176 K\n0.942163 0.700030 0.419178 K\n0.057837 0.299970 0.919178 K\n0.557837 0.200030 0.919178 K\n0.442163 0.799970 0.419178 K\n0.442164 0.799974 0.007174 K\n0.057836 0.299974 0.507174 K\n0.557836 0.200026 0.507174 K\n0.639946 0.416439 0.213176 K\n0.780094 0.479360 0.713174 As\n0.219906 0.520640 0.213175 As\n0.719906 0.979360 0.213175 As\n0.280094 0.020640 0.713174 As\n0.186596 0.754007 0.213173 S\n0.686596 0.745993 0.213173 S\n0.340861 0.463072 0.040487 S\n0.659139 0.536928 0.540487 S\n0.159139 0.963072 0.540487 S\n0.840861 0.036928 0.040487 S\n0.003333 0.411064 0.213175 S\n0.996667 0.588936 0.713175 S\n0.503333 0.088936 0.213175 S\n0.340862 0.463071 0.385861 S\n0.659138 0.536929 0.885861 S\n0.159138 0.963071 0.885861 S\n0.840862 0.036929 0.385861 S\n0.813404 0.245993 0.713173 S\n0.496667 0.911064 0.713175 S\n0.313404 0.254007 0.713173 S\n",
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{
"id": "jvasp-96823",
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"structure_string": "U4 Se4 O24\n1.0\n5.422826 0.000000 0.000000\n0.000000 6.664135 -1.686819\n0.000000 -0.064058 13.377517\nU Se O\n4 4 24\ndirect\n0.191712 0.663218 0.854144 U\n0.691712 0.336782 0.645857 U\n0.808289 0.336782 0.145856 U\n0.308288 0.663218 0.354144 U\n0.051164 0.198204 0.386109 Se\n0.448837 0.198204 0.886109 Se\n0.948837 0.801797 0.613891 Se\n0.551164 0.801797 0.113891 Se\n0.638420 0.022458 0.096666 O\n0.401966 0.839412 0.226215 O\n0.857947 0.307308 0.479830 O\n0.138419 0.977542 0.403334 O\n0.901967 0.160589 0.273785 O\n0.197133 0.339664 0.886125 O\n0.642054 0.307308 0.979830 O\n0.980035 0.435611 0.717967 O\n0.357947 0.692692 0.020170 O\n0.142053 0.692692 0.520170 O\n0.861581 0.022458 0.596666 O\n0.361581 0.977542 0.903334 O\n0.802868 0.660337 0.113876 O\n0.098034 0.839412 0.726215 O\n0.019966 0.564389 0.282033 O\n0.519966 0.435611 0.217967 O\n0.598035 0.160589 0.773786 O\n0.603073 0.739274 0.413142 O\n0.396928 0.260727 0.586859 O\n0.103072 0.260727 0.086858 O\n0.302867 0.339664 0.386124 O\n0.480035 0.564389 0.782033 O\n0.896928 0.739274 0.913142 O\n0.697133 0.660337 0.613876 O\n",
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{
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"created_at": "2022-09-04T14:35:51.348805Z",
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"structure_string": "Al4 Fe4 P4 O20\n1.0\n5.480674 0.006217 0.000007\n-1.055706 7.100451 -0.000014\n0.000017 -0.000018 10.477460\nAl Fe P O\n4 4 4 20\ndirect\n0.546324 0.360085 0.174596 Al\n0.953676 0.639916 0.674597 Al\n0.046323 0.360084 0.325403 Al\n0.453677 0.639915 0.825405 Al\n0.102320 0.016837 0.142019 Fe\n0.897679 0.983164 0.857982 Fe\n0.602318 0.016837 0.357981 Fe\n0.397681 0.983163 0.642019 Fe\n0.441624 0.221794 0.901852 P\n0.558374 0.778206 0.098149 P\n0.941626 0.221793 0.598148 P\n0.058373 0.778207 0.401852 P\n0.603607 0.607711 0.179230 O\n0.396391 0.392289 0.820771 O\n0.896392 0.392288 0.679229 O\n0.103606 0.607712 0.320771 O\n0.691425 0.117756 0.548116 O\n0.259824 0.727616 0.715013 O\n0.240176 0.272385 0.215014 O\n0.108281 0.288187 0.482791 O\n0.391718 0.711812 0.982792 O\n0.891718 0.711813 0.517209 O\n0.608281 0.288188 0.017209 O\n0.429436 0.913971 0.180864 O\n0.070565 0.086029 0.680862 O\n0.570564 0.086029 0.819137 O\n0.929435 0.913971 0.319139 O\n0.191423 0.117756 0.951884 O\n0.308574 0.882244 0.451885 O\n0.808575 0.882244 0.048117 O\n0.759825 0.727615 0.784986 O\n0.740175 0.272384 0.284987 O\n",
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{
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"structure_string": "Zn8 Se4 Cl8 O12\n1.0\n7.652469 0.089822 0.000000\n-1.243772 7.530512 0.000000\n0.000000 0.000000 10.343143\nZn Se Cl O\n8 4 8 12\ndirect\n0.886338 0.234909 0.987908 Zn\n0.879101 0.923337 0.723909 Zn\n0.613662 0.765090 0.487908 Zn\n0.620900 0.076662 0.223909 Zn\n0.113662 0.765090 0.012092 Zn\n0.120900 0.076662 0.276091 Zn\n0.379101 0.923337 0.776091 Zn\n0.386338 0.234909 0.512092 Zn\n0.312705 0.190587 0.032371 Se\n0.812705 0.190587 0.467629 Se\n0.187295 0.809412 0.532371 Se\n0.687295 0.809412 0.967629 Se\n0.271445 0.590070 0.904656 Cl\n0.035928 0.765821 0.221408 Cl\n0.228555 0.409929 0.404656 Cl\n0.535928 0.765821 0.278592 Cl\n0.728555 0.409929 0.095344 Cl\n0.771445 0.590070 0.595344 Cl\n0.964072 0.234179 0.778592 Cl\n0.464072 0.234179 0.721408 Cl\n0.282214 0.984999 0.953159 O\n0.874326 0.122754 0.315894 O\n0.900106 0.804390 0.910593 O\n0.717786 0.015000 0.046841 O\n0.400106 0.804390 0.589407 O\n0.217786 0.015000 0.453159 O\n0.782214 0.984999 0.546841 O\n0.125674 0.877246 0.684106 O\n0.599894 0.195610 0.410593 O\n0.625674 0.877246 0.815893 O\n0.099894 0.195610 0.089407 O\n0.374326 0.122754 0.184106 O\n",
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{
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"structure_string": "Si16 C16\n1.0\n3.100535 -0.000000 0.000000\n-1.550268 2.685142 0.000000\n0.000000 0.000000 40.588839\nSi C\n16 16\ndirect\n0.333333 0.666666 0.812502 Si\n0.333333 0.666666 0.187452 Si\n0.000000 0.000000 0.624925 Si\n0.666668 0.333333 0.312502 Si\n0.000000 0.000000 0.749979 Si\n0.333333 0.666666 0.999976 Si\n0.333333 0.666666 0.437451 Si\n0.666668 0.333333 0.499976 Si\n0.000000 0.000000 0.124925 Si\n0.000000 0.000000 0.875036 Si\n0.000000 0.000000 0.249979 Si\n0.666668 0.333333 0.062509 Si\n0.666668 0.333333 0.937451 Si\n0.000000 0.000000 0.375036 Si\n0.333333 0.666666 0.562509 Si\n0.666668 0.333333 0.687452 Si\n0.000000 0.000000 0.296822 C\n0.333333 0.666666 0.859509 C\n0.666668 0.333333 0.109369 C\n0.000000 0.000000 0.796822 C\n0.666668 0.333333 0.984306 C\n0.000000 0.000000 0.421895 C\n0.666668 0.333333 0.734462 C\n0.666668 0.333333 0.546984 C\n0.000000 0.000000 0.921895 C\n0.333333 0.666666 0.046984 C\n0.666668 0.333333 0.359509 C\n0.333333 0.666666 0.484306 C\n0.000000 0.000000 0.171781 C\n0.000000 0.000000 0.671781 C\n0.333333 0.666666 0.609369 C\n0.333333 0.666666 0.234462 C\n",
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{
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