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{
"id": "jvasp-91348",
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"structure_string": "Nb8 Br40\n1.0\n6.115011 0.000000 0.000000\n0.000000 12.936446 0.000000\n0.000000 0.000000 18.772205\nNb Br\n8 40\ndirect\n0.997002 0.125043 0.361440 Nb\n0.997002 0.125043 0.138560 Nb\n0.497002 0.374957 0.861440 Nb\n0.502998 0.625043 0.361440 Nb\n0.497002 0.374957 0.638560 Nb\n0.002998 0.874957 0.861440 Nb\n0.502998 0.625043 0.138560 Nb\n0.002998 0.874957 0.638560 Nb\n0.760906 0.281729 0.348361 Br\n0.239094 0.718272 0.848361 Br\n0.739094 0.781729 0.151639 Br\n0.739094 0.781729 0.348361 Br\n0.239094 0.718272 0.651639 Br\n0.760906 0.281729 0.151639 Br\n0.260906 0.218272 0.848361 Br\n0.744493 0.040064 0.443723 Br\n0.755507 0.540064 0.056277 Br\n0.260906 0.218272 0.651639 Br\n0.255507 0.959937 0.556277 Br\n0.755507 0.540064 0.443723 Br\n0.244493 0.459937 0.943722 Br\n0.744493 0.040064 0.056277 Br\n0.244493 0.459937 0.556277 Br\n0.255507 0.959937 0.943722 Br\n0.251162 0.709985 0.055996 Br\n0.266131 0.468562 0.348349 Br\n0.751162 0.790016 0.944004 Br\n0.248838 0.209984 0.444004 Br\n0.748838 0.290016 0.555995 Br\n0.748838 0.290016 0.944004 Br\n0.248838 0.209984 0.055996 Br\n0.751162 0.790016 0.555995 Br\n0.251162 0.709985 0.444004 Br\n0.231089 0.204409 0.250000 Br\n0.731089 0.295591 0.750000 Br\n0.733869 0.531439 0.848349 Br\n0.268911 0.704409 0.250000 Br\n0.763086 0.045748 0.250000 Br\n0.263086 0.454253 0.750000 Br\n0.736913 0.545748 0.250000 Br\n0.236914 0.954253 0.750000 Br\n0.233869 0.968562 0.348349 Br\n0.733869 0.531439 0.651651 Br\n0.266131 0.468562 0.151651 Br\n0.766131 0.031438 0.848349 Br\n0.766131 0.031438 0.651651 Br\n0.768911 0.795591 0.750000 Br\n0.233869 0.968562 0.151651 Br\n",
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{
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"structure_string": "Ba10 Re6 Br2 O30\n1.0\n5.544625 -9.603572 -0.000000\n5.544625 9.603572 0.000000\n0.000000 -0.000000 7.854861\nBa Re Br O\n10 6 2 30\ndirect\n-0.000000 0.265239 0.745852 Ba\n0.333333 0.666667 0.004704 Ba\n0.265239 0.265239 0.245853 Ba\n0.734760 0.734760 0.745852 Ba\n0.666667 0.333333 0.004704 Ba\n0.734760 -0.000000 0.245853 Ba\n0.666667 0.333333 0.504704 Ba\n0.333333 0.666667 0.504704 Ba\n0.265239 -0.000000 0.745852 Ba\n-0.000000 0.734760 0.245853 Ba\n-0.000000 0.608272 0.797658 Re\n-0.000000 0.391728 0.297658 Re\n0.391728 0.391728 0.797658 Re\n0.608272 -0.000000 0.797658 Re\n0.608271 0.608271 0.297658 Re\n0.391728 -0.000000 0.297658 Re\n0.000000 0.000000 0.978608 Br\n0.000000 0.000000 0.478608 Br\n0.297291 -0.000000 0.116653 O\n0.578661 0.131029 0.258348 O\n-0.000000 0.702708 0.616653 O\n0.389427 0.132292 0.439118 O\n0.421338 0.552366 0.258348 O\n0.552366 0.421338 0.258348 O\n0.868970 0.447633 0.258348 O\n0.610572 0.742864 0.439118 O\n0.702708 0.702708 0.116653 O\n0.742864 0.132292 0.939118 O\n0.552366 0.131029 0.758347 O\n0.257135 0.867707 0.439118 O\n0.131029 0.578661 0.258348 O\n0.868970 0.421338 0.758347 O\n-0.000000 0.297291 0.116653 O\n0.447633 0.578661 0.758347 O\n0.702708 -0.000000 0.616653 O\n0.867707 0.610572 0.939118 O\n0.447633 0.868970 0.258348 O\n0.132292 0.742864 0.939118 O\n0.421338 0.868970 0.758347 O\n0.578661 0.447633 0.758347 O\n0.297291 0.297291 0.616653 O\n0.389427 0.257135 0.939118 O\n0.742864 0.610572 0.439118 O\n0.867707 0.257135 0.439118 O\n0.610572 0.867707 0.939118 O\n0.131029 0.552366 0.758347 O\n0.132292 0.389427 0.439118 O\n0.257135 0.389427 0.939118 O\n",
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{
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"structure_string": "Os8 O12 F28\n1.0\n5.324234 0.000000 -0.851554\n0.000000 9.891993 0.000000\n0.031406 0.000000 12.189708\nOs O F\n8 12 28\ndirect\n0.996527 0.747470 0.000029 Os\n0.003472 0.247471 0.499971 Os\n0.003472 0.252529 -0.000029 Os\n0.645602 0.491643 0.278440 Os\n0.996528 0.752529 0.500029 Os\n0.645603 0.008357 0.778440 Os\n0.354397 0.991643 0.221561 Os\n0.354398 0.508357 0.721561 Os\n0.594292 0.577968 0.155621 O\n0.500483 0.839885 0.251722 O\n0.499517 0.160115 0.748279 O\n0.452687 0.572204 0.356614 O\n0.405708 0.077969 0.344379 O\n0.405708 0.422031 0.844380 O\n0.452687 0.927796 0.856614 O\n0.547313 0.072204 0.143386 O\n0.499517 0.339885 0.248278 O\n0.594292 0.922031 0.655621 O\n0.547313 0.427796 0.643387 O\n0.500483 0.660114 0.751722 O\n0.799556 0.409457 0.447789 F\n0.193746 0.096013 0.554043 F\n0.714866 0.671880 0.549318 F\n0.095090 0.831698 0.640506 F\n0.200444 0.590543 0.552211 F\n0.904910 0.331698 0.859494 F\n0.719087 0.174501 0.552814 F\n0.020747 0.563526 0.730941 F\n0.020747 0.936473 0.230941 F\n0.200443 0.909456 0.052211 F\n0.799557 0.090543 0.947790 F\n0.906652 0.661105 0.354233 F\n0.093348 0.338895 0.645767 F\n0.093347 0.161105 0.145767 F\n0.280913 0.825499 0.447186 F\n0.285135 0.171880 0.950682 F\n0.285134 0.328120 0.450682 F\n0.906653 0.838895 0.854234 F\n0.280913 0.674501 0.947186 F\n0.095090 0.668301 0.140506 F\n0.193746 0.403987 0.054042 F\n0.979253 0.063526 0.769059 F\n0.806254 0.903987 0.445958 F\n0.714865 0.828119 0.049318 F\n0.904910 0.168301 0.359494 F\n0.806254 0.596013 0.945958 F\n0.719087 0.325499 0.052814 F\n0.979253 0.436474 0.269059 F\n",
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{
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"updated_at": "2022-09-04T14:36:18.868870Z",
"structure_string": "Ca12 Si6 H4 O26\n1.0\n6.780864 -0.004918 -0.899958\n-1.015486 6.862227 -0.100765\n-0.001768 -0.034938 12.905118\nCa Si H O\n12 6 4 26\ndirect\n0.684833 0.811687 0.125261 Ca\n0.809163 0.796964 0.513137 Ca\n0.434222 0.965121 0.676932 Ca\n0.108996 0.526492 0.709273 Ca\n0.921500 0.803754 0.898667 Ca\n0.078498 0.196246 0.101332 Ca\n0.190835 0.203036 0.486862 Ca\n0.891002 0.473508 0.290727 Ca\n0.404096 0.521862 0.295811 Ca\n0.565777 0.034879 0.323067 Ca\n0.595902 0.478138 0.704188 Ca\n0.315165 0.188313 0.874739 Ca\n0.715425 0.301097 0.509186 Si\n0.810839 0.283165 0.884205 Si\n0.189160 0.716835 0.115795 Si\n0.612352 0.288939 0.097913 Si\n0.387646 0.711061 0.902086 Si\n0.284574 0.698903 0.490814 Si\n0.199838 0.026311 0.271058 H\n0.061275 0.110621 0.675991 H\n0.800161 0.973689 0.728941 H\n0.938724 0.889379 0.324008 H\n0.846381 0.128680 0.486002 O\n0.235055 0.160425 0.299497 O\n0.255251 0.845535 0.822337 O\n0.185467 0.202329 0.684541 O\n0.521444 0.217111 0.566802 O\n0.013185 0.853011 0.089955 O\n0.478555 0.782889 0.433197 O\n0.986813 0.146989 0.910045 O\n0.112708 0.511391 0.169494 O\n0.748769 0.337681 0.000499 O\n0.611041 0.811872 0.948011 O\n0.163870 0.512320 0.417057 O\n0.836128 0.487680 0.582942 O\n0.386018 0.508875 0.834908 O\n0.383454 0.818176 0.196106 O\n0.251230 0.662319 0.999500 O\n0.613981 0.491125 0.165092 O\n0.640294 0.371793 0.390876 O\n0.764943 0.839575 0.700503 O\n0.616545 0.181824 0.803894 O\n0.359705 0.628207 0.609123 O\n0.887290 0.488609 0.830506 O\n0.153617 0.871320 0.513998 O\n0.744747 0.154465 0.177663 O\n0.814531 0.797671 0.315459 O\n0.388958 0.188128 0.051989 O\n",
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"structure_string": "H20 C8 N4 O16\n1.0\n4.333820 0.190953 0.000000\n-1.364429 7.060827 0.000000\n0.000000 0.000000 13.667305\nH C N O\n20 8 4 16\ndirect\n0.965485 0.814917 0.446154 H\n0.410887 0.250946 0.520746 H\n0.201662 0.912918 0.935148 H\n0.704141 0.754852 0.358736 H\n0.034515 0.685083 0.946154 H\n0.704141 0.254852 0.141264 H\n0.589113 0.249054 0.020745 H\n0.410887 0.750946 0.979255 H\n0.899631 0.010887 0.767177 H\n0.034515 0.185083 0.553847 H\n0.100368 0.989113 0.232823 H\n0.589113 0.749054 0.479255 H\n-0.201662 0.587083 0.435148 H\n0.295859 0.245148 0.641264 H\n-0.201662 0.087083 0.064852 H\n0.295859 0.745148 0.858736 H\n0.899631 0.510887 0.732823 H\n0.965485 0.314917 0.053847 H\n0.100368 0.489113 0.267177 H\n0.201662 0.412917 0.564853 H\n0.605526 0.885228 0.672352 C\n0.605526 0.385228 0.827648 C\n0.394474 0.114772 0.327648 C\n0.670190 0.776648 0.158275 C\n0.329810 0.223352 0.841725 C\n0.394474 0.614772 0.172352 C\n0.670190 0.276648 0.341725 C\n0.329810 0.723352 0.658275 C\n0.236954 0.273335 0.569689 N\n0.236954 0.773335 0.930311 N\n0.763046 0.726666 0.430311 N\n0.763046 0.226665 0.069689 N\n0.732303 0.828509 0.071558 O\n0.267697 0.671492 0.571558 O\n0.281820 0.523236 0.101620 O\n0.808287 0.844095 0.235125 O\n0.732303 0.328508 0.428442 O\n0.702461 0.408537 0.736051 O\n0.718180 0.976764 0.601620 O\n0.297539 0.091463 0.236051 O\n0.297539 0.591463 0.263949 O\n0.281820 0.023236 0.398380 O\n0.191713 0.155905 0.764875 O\n0.267697 0.171492 0.928442 O\n0.808287 0.344095 0.264875 O\n0.702461 0.908537 0.763950 O\n0.718180 0.476764 0.898380 O\n0.191713 0.655905 0.735125 O\n",
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{
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"structure_string": "Nd3 Al9 Br36\n1.0\n5.133204 -8.890972 -0.000000\n5.133204 8.890972 0.000000\n-0.000000 -0.000000 18.398225\nNd Al Br\n3 9 36\ndirect\n0.274776 0.274776 0.500000 Nd\n-0.000000 0.725223 0.166667 Nd\n0.725223 -0.000000 0.833333 Nd\n0.688442 0.317263 0.108749 Al\n0.628821 0.311557 0.775415 Al\n0.893323 0.893323 0.000000 Al\n-0.000000 0.106677 0.666667 Al\n0.682736 0.371178 0.442082 Al\n0.371178 0.682736 0.557918 Al\n0.311557 0.628821 0.224585 Al\n0.106677 -0.000000 0.333333 Al\n0.317263 0.688442 0.891251 Al\n0.029967 0.249243 0.770134 Br\n0.201398 0.074527 0.636445 Br\n0.873128 0.798601 0.303112 Br\n0.970032 0.219275 0.563201 Br\n0.780723 0.750756 0.896534 Br\n0.249243 0.029967 0.229867 Br\n0.219275 0.970032 0.436800 Br\n0.411886 0.296757 0.814296 Br\n0.296757 0.411886 0.185705 Br\n0.588113 0.884871 0.519039 Br\n0.115128 0.703242 0.852372 Br\n0.703242 0.115128 0.147629 Br\n0.925473 0.126871 0.969778 Br\n0.884871 0.588113 0.480962 Br\n0.718432 0.214475 0.368545 Br\n0.750756 0.780723 0.103466 Br\n0.126871 0.925473 0.030222 Br\n0.922730 0.495193 0.052901 Br\n0.074527 0.201398 0.363555 Br\n0.503958 0.785524 0.298122 Br\n0.281567 0.496041 0.964788 Br\n0.214475 0.718432 0.631455 Br\n0.537259 0.236290 0.544406 Br\n0.763709 0.300968 0.877740 Br\n0.699031 0.462740 0.211072 Br\n0.462740 0.699031 0.788928 Br\n0.236290 0.537259 0.455594 Br\n0.300968 0.763709 0.122261 Br\n0.504806 0.427536 0.386235 Br\n0.572463 0.077269 0.719568 Br\n0.785524 0.503958 0.701878 Br\n0.495193 0.922730 0.947100 Br\n0.427536 0.504806 0.613765 Br\n0.077269 0.572463 0.280432 Br\n0.798601 0.873128 0.696888 Br\n0.496041 0.281567 0.035212 Br\n",
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