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{
"id": "jvasp-14223",
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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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{
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"structure_string": "Cd4 H16 S8 O20\n1.0\n5.517400 0.000000 -1.127211\n0.000000 7.148273 0.000000\n-0.074108 0.000000 14.134374\nCd H S O\n4 16 8 20\ndirect\n0.445463 0.169406 0.818086 Cd\n0.945463 0.330593 0.318086 Cd\n0.554536 0.830593 0.181914 Cd\n0.054536 0.669406 0.681913 Cd\n0.465338 0.635311 0.582634 H\n0.965338 0.864689 0.082634 H\n0.534661 0.364689 0.417366 H\n0.034661 0.135311 0.917366 H\n0.700920 0.858879 0.536468 H\n0.200920 0.641121 0.036469 H\n0.299079 0.141121 0.463531 H\n0.799079 0.358879 0.963531 H\n0.221968 0.624853 0.505090 H\n0.721968 0.875147 0.005090 H\n0.778031 0.375147 0.494910 H\n0.278031 0.124853 0.994909 H\n0.728974 0.661671 0.483398 H\n0.228973 0.838328 0.983398 H\n0.271026 0.338328 0.516602 H\n0.771026 0.161671 0.016602 H\n0.855498 0.177508 0.658987 S\n0.355499 0.322492 0.158987 S\n0.144501 0.822491 0.341013 S\n0.644501 0.677508 0.841013 S\n0.177722 0.026605 0.664562 S\n0.677723 0.473394 0.164562 S\n0.822277 0.973394 0.335438 S\n0.322277 0.526605 0.835438 S\n0.702390 0.415482 0.428193 O\n0.202390 0.084518 0.928193 O\n0.738806 0.724372 0.546258 O\n0.238806 0.775628 0.046258 O\n0.261193 0.275628 0.453742 O\n0.761193 0.224372 0.953742 O\n0.903690 0.363824 0.619588 O\n0.403690 0.136176 0.119588 O\n0.096310 0.636176 0.380412 O\n0.596310 0.863823 0.880411 O\n0.810108 0.195777 0.757854 O\n0.310108 0.304223 0.257854 O\n0.189892 0.804223 0.242146 O\n0.689892 0.695777 0.742146 O\n0.664384 0.079331 0.591559 O\n0.164385 0.420669 0.091559 O\n0.335615 0.920669 0.408440 O\n0.835615 0.579330 0.908440 O\n0.797610 0.915482 0.071807 O\n0.297610 0.584518 0.571806 O\n",
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{
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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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{
"id": "jvasp-97717",
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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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"structure_string": "Tl6 Cu6 H6 C6 O24\n1.0\n10.992189 -0.000000 0.000000\n-5.496094 9.519515 -0.000000\n-0.000000 -0.000000 6.072120\nTl Cu H C O\n6 6 6 6 24\ndirect\n0.867695 0.720564 0.250000 Tl\n0.852869 0.132305 0.250000 Tl\n0.279437 0.147132 0.250000 Tl\n0.132305 0.279437 0.750000 Tl\n0.147132 0.867695 0.750000 Tl\n0.720564 0.852869 0.750000 Tl\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.803494 0.403778 0.250000 H\n0.600284 0.196506 0.250000 H\n0.596223 0.399716 0.250000 H\n0.196507 0.596223 0.750000 H\n0.399717 0.803494 0.750000 H\n0.403778 0.600284 0.750000 H\n0.428969 0.192699 0.750000 C\n0.807301 0.236270 0.750000 C\n0.763731 0.571032 0.750000 C\n0.571032 0.807301 0.250000 C\n0.192700 0.763731 0.250000 C\n0.236270 0.428969 0.250000 C\n0.719826 0.104305 0.750000 O\n0.104305 0.384479 0.250000 O\n0.615522 0.719826 0.250000 O\n0.280175 0.895696 0.250000 O\n0.302702 0.449851 0.062226 O\n0.550150 0.852851 0.062226 O\n0.147150 0.697298 0.062226 O\n0.697298 0.550149 0.562226 O\n0.449851 0.147149 0.562226 O\n0.852851 0.302702 0.562226 O\n0.697298 0.550149 0.937774 O\n0.449851 0.147149 0.937774 O\n0.302702 0.449851 0.437774 O\n0.550150 0.852851 0.437774 O\n0.147150 0.697298 0.437774 O\n0.495934 0.607226 0.750000 O\n0.392775 0.888708 0.750000 O\n0.111293 0.504067 0.750000 O\n0.504067 0.392775 0.250000 O\n0.607226 0.111292 0.250000 O\n0.888708 0.495933 0.250000 O\n0.384479 0.280174 0.750000 O\n0.852851 0.302702 0.937774 O\n0.895696 0.615522 0.750000 O\n",
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{
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