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{
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"structure_string": "Ba12 Pr6 I38\n1.0\n8.112357 -6.352357 0.005280\n8.112357 6.352357 0.005280\n-2.012280 0.000000 22.856087\nBa I Pr\n12 38 6\ndirect\n0.412580 0.266781 0.037861 Ba\n0.086336 0.853996 0.104892 Ba\n0.581129 0.783504 0.215972 Ba\n0.216496 0.418871 0.284027 Ba\n0.146004 0.913664 0.395108 Ba\n0.733220 0.587420 0.462139 Ba\n0.266781 0.412580 0.537861 Ba\n0.853996 0.086336 0.604892 Ba\n0.783504 0.581129 0.715973 Ba\n0.418871 0.216496 0.784027 Ba\n0.913664 0.146004 0.895108 Ba\n0.587420 0.733220 0.962139 Ba\n0.302017 0.614743 0.004001 I\n0.074094 0.159933 0.034927 I\n0.417461 0.929337 0.085855 I\n0.798856 0.688788 0.098354 I\n0.755686 0.094964 0.116325 I\n0.160713 0.461372 0.133233 I\n0.555699 0.458163 0.158586 I\n0.069861 0.154404 0.214376 I\n0.477317 0.135903 0.243787 I\n0.244795 0.755205 0.250000 I\n0.864097 0.522684 0.256213 I\n0.845596 0.930140 0.285624 I\n0.541837 0.444301 0.341414 I\n0.538628 0.839287 0.366767 I\n0.905035 0.244314 0.383675 I\n0.311212 0.201144 0.401646 I\n0.070663 0.582539 0.414145 I\n0.840067 0.925906 0.465074 I\n0.385257 0.697983 0.495999 I\n0.614743 0.302017 0.504001 I\n0.159933 0.074094 0.534926 I\n0.929337 0.417461 0.585855 I\n0.688788 0.798856 0.598354 I\n0.094964 0.755686 0.616325 I\n0.461372 0.160713 0.633233 I\n0.458163 0.555699 0.658586 I\n0.154404 0.069861 0.714376 I\n0.135903 0.477317 0.743787 I\n0.755205 0.244795 0.750000 I\n0.522684 0.864097 0.756213 I\n0.930140 0.845596 0.785624 I\n0.444301 0.541837 0.841414 I\n0.839287 0.538628 0.866767 I\n0.244314 0.905035 0.883675 I\n0.201144 0.311212 0.901646 I\n0.582539 0.070663 0.914146 I\n0.925906 0.840067 0.965074 I\n0.697983 0.385257 0.995999 I\n0.873523 0.364727 0.124890 Pr\n0.753998 0.246002 0.250000 Pr\n0.635273 0.126477 0.375110 Pr\n0.364727 0.873523 0.624890 Pr\n0.246002 0.753998 0.750000 Pr\n0.126477 0.635273 0.875110 Pr\n",
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{
"id": "oqmd-655612",
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"structure_string": "Ba42 Ge4 O10\n1.0\n10.543980 10.543980 0.000000\n-10.543980 0.000000 10.543980\n10.543980 -10.543980 0.000000\nBa Ge O\n42 4 10\ndirect\n0.000000 0.500000 0.000000 Ba\n0.751841 0.003681 0.001840 Ba\n0.498160 0.750000 0.001840 Ba\n0.751841 0.750000 0.001840 Ba\n0.068154 0.342260 0.171130 Ba\n0.774107 0.342260 0.171130 Ba\n0.328871 0.602977 0.171130 Ba\n0.774107 0.602977 0.171130 Ba\n0.068154 0.897025 0.171130 Ba\n0.328871 0.897025 0.171130 Ba\n0.501841 0.250000 0.251840 Ba\n0.501841 0.503681 0.251840 Ba\n0.248160 0.250000 0.251841 Ba\n0.931847 0.102976 0.274106 Ba\n0.671130 0.102976 0.274106 Ba\n0.671130 0.842260 0.274106 Ba\n0.125000 0.750000 0.375000 Ba\n0.328871 0.157741 0.431847 Ba\n0.328871 0.602977 0.431847 Ba\n0.774107 0.602977 0.431847 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.225894 0.397024 0.568154 Ba\n0.671130 0.397024 0.568154 Ba\n0.671130 0.842260 0.568154 Ba\n0.875001 0.250000 0.625000 Ba\n0.328871 0.157741 0.725895 Ba\n0.068154 0.897025 0.725895 Ba\n0.328871 0.897025 0.725895 Ba\n0.498160 0.496319 0.748160 Ba\n0.498160 0.750000 0.748160 Ba\n0.751841 0.750000 0.748160 Ba\n0.931847 0.102976 0.828871 Ba\n0.671129 0.397024 0.828871 Ba\n0.931847 0.657741 0.828871 Ba\n0.671130 0.102976 0.828871 Ba\n0.225894 0.397024 0.828871 Ba\n0.225894 0.657741 0.828871 Ba\n0.248159 0.250000 0.998160 Ba\n0.248159 0.996318 0.998160 Ba\n0.501841 0.250000 0.998160 Ba\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.375001 0.250000 0.125000 O\n0.716449 0.932898 0.149347 O\n0.283551 0.067103 0.216449 O\n0.283551 0.432897 0.216449 O\n0.649346 0.432897 0.216449 O\n0.350653 0.567102 0.783550 O\n0.716449 0.567102 0.783551 O\n0.716449 0.932898 0.783551 O\n0.283551 0.067103 0.850653 O\n0.625000 0.750000 0.875001 O\n",
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{
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"created_at": "2022-09-04T15:33:35.735554Z",
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"structure_string": "Ba42 Si4 O10\n1.0\n10.538469 10.538469 0.000000\n-10.538469 0.000000 10.538469\n10.538469 -10.538469 0.000000\nBa O Si\n42 10 4\ndirect\n0.000000 0.500000 0.000000 Ba\n0.498089 0.750000 0.001910 Ba\n0.751910 0.003821 0.001911 Ba\n0.751910 0.750000 0.001911 Ba\n0.067903 0.341048 0.170524 Ba\n0.773145 0.341048 0.170524 Ba\n0.329476 0.602621 0.170524 Ba\n0.773145 0.602621 0.170524 Ba\n0.329476 0.897380 0.170524 Ba\n0.067903 0.897380 0.170524 Ba\n0.501911 0.250000 0.251910 Ba\n0.501911 0.503821 0.251910 Ba\n0.248090 0.250000 0.251911 Ba\n0.670524 0.102621 0.273144 Ba\n0.670524 0.841047 0.273144 Ba\n0.932097 0.102621 0.273145 Ba\n0.125000 0.750000 0.375000 Ba\n0.329476 0.158952 0.432097 Ba\n0.329476 0.602621 0.432097 Ba\n0.773145 0.602621 0.432097 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.670524 0.397380 0.567903 Ba\n0.670524 0.841047 0.567903 Ba\n0.226856 0.397380 0.567904 Ba\n0.875000 0.250000 0.625000 Ba\n0.067903 0.897380 0.726856 Ba\n0.329476 0.158952 0.726856 Ba\n0.329476 0.897380 0.726856 Ba\n0.751910 0.750000 0.748089 Ba\n0.498089 0.496179 0.748090 Ba\n0.498089 0.750000 0.748090 Ba\n0.932097 0.658952 0.829476 Ba\n0.932097 0.102621 0.829476 Ba\n0.670524 0.397380 0.829476 Ba\n0.226856 0.397380 0.829477 Ba\n0.226856 0.658952 0.829477 Ba\n0.670525 0.102621 0.829477 Ba\n0.248090 0.250000 0.998089 Ba\n0.248090 0.996179 0.998089 Ba\n0.501911 0.250000 0.998090 Ba\n0.375000 0.250000 0.125000 O\n0.716332 0.932665 0.148998 O\n0.283667 0.067334 0.216333 O\n0.283667 0.432666 0.216333 O\n0.648999 0.432666 0.216333 O\n0.716332 0.567334 0.783666 O\n0.716332 0.932665 0.783666 O\n0.351001 0.567334 0.783667 O\n0.283668 0.067334 0.851002 O\n0.625000 0.750000 0.875000 O\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n",
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