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{
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{
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{
"id": "mp-1475",
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"structure_string": "Be12 Mo1\n1.0\n-3.610587 3.610587 2.098484\n3.610587 -3.610587 2.098484\n3.610587 3.610587 -2.098484\nBe Mo\n12 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.000000 0.649389 0.649389 Be\n0.649389 0.000000 0.649389 Be\n0.350611 0.000000 0.350611 Be\n0.000000 0.350611 0.350611 Be\n0.500000 0.710863 0.210863 Be\n0.710863 0.500000 0.210863 Be\n0.289137 0.500000 0.789137 Be\n0.500000 0.289137 0.789137 Be\n0.000000 0.000000 0.000000 Mo\n",
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{
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{
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{
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"structure_string": "Ti4 H48 N16 F32\n1.0\n5.519837 0.000000 0.000000\n0.000000 11.041339 0.000000\n0.000000 0.000000 13.813512\nTi H N F\n4 48 16 32\ndirect\n0.750000 0.624746 0.750000 Ti\n0.250000 0.875254 0.250000 Ti\n0.250000 0.375254 0.250000 Ti\n0.750000 0.124746 0.750000 Ti\n0.506936 0.892185 0.559176 H\n0.006936 0.607815 0.440824 H\n0.993064 0.892185 0.940824 H\n0.493064 0.607815 0.059176 H\n0.493064 0.107815 0.440824 H\n0.993064 0.392185 0.559176 H\n0.006936 0.107815 0.059176 H\n0.506936 0.392185 0.940824 H\n0.281454 0.999153 0.560095 H\n0.781454 0.500847 0.439905 H\n0.218546 0.999153 0.939905 H\n0.718546 0.500847 0.060095 H\n0.718546 0.000847 0.439905 H\n0.218546 0.499153 0.560095 H\n0.781454 0.000847 0.060095 H\n0.281454 0.499153 0.939905 H\n0.395424 0.943446 0.666621 H\n0.895424 0.556554 0.333379 H\n0.104576 0.943446 0.833379 H\n0.604576 0.556554 0.166621 H\n0.604576 0.056554 0.333379 H\n0.104576 0.443446 0.666621 H\n0.895424 0.056554 0.166621 H\n0.395424 0.443446 0.833379 H\n0.228980 0.746547 0.559161 H\n0.728980 0.753453 0.440839 H\n0.271020 0.746547 0.940839 H\n0.771020 0.753453 0.059161 H\n0.771020 0.253453 0.440839 H\n0.271020 0.246547 0.559161 H\n0.728980 0.253453 0.059161 H\n0.228980 0.246547 0.940839 H\n0.006440 0.855569 0.557489 H\n0.506440 0.644431 0.442511 H\n0.493560 0.855569 0.942511 H\n0.993560 0.644431 0.057489 H\n0.993560 0.144431 0.442511 H\n0.493560 0.355569 0.557489 H\n0.506440 0.144431 0.057489 H\n0.006440 0.355569 0.942511 H\n0.116585 0.802116 0.665519 H\n0.616585 0.697884 0.334481 H\n0.383415 0.802116 0.834481 H\n0.883415 0.697884 0.165519 H\n0.883415 0.197884 0.334481 H\n0.383415 0.302116 0.665519 H\n0.616585 0.197884 0.165519 H\n0.116585 0.302116 0.834481 H\n0.347552 0.920224 0.595391 N\n0.847552 0.579776 0.404609 N\n0.152448 0.920224 0.904609 N\n0.652448 0.579776 0.095391 N\n0.652448 0.079776 0.404609 N\n0.152448 0.420224 0.595391 N\n0.847552 0.079776 0.095391 N\n0.347552 0.420224 0.904609 N\n0.165663 0.825778 0.594687 N\n0.665663 0.674222 0.405313 N\n0.334337 0.825778 0.905313 N\n0.834337 0.674222 0.094687 N\n0.834337 0.174222 0.405313 N\n0.334337 0.325778 0.594687 N\n0.665663 0.174222 0.094687 N\n0.165663 0.325778 0.905313 N\n0.768336 0.877946 0.500215 F\n0.268336 0.622054 0.499785 F\n0.731664 0.877946 0.999785 F\n0.231664 0.622054 0.000215 F\n0.231664 0.122054 0.499785 F\n0.731664 0.377946 0.500215 F\n0.268336 0.122054 0.000215 F\n0.768336 0.377946 0.999785 F\n0.510401 0.746308 0.730886 F\n0.010401 0.753692 0.269114 F\n0.989599 0.746308 0.769114 F\n0.489599 0.753692 0.230886 F\n0.489599 0.253692 0.269114 F\n0.989599 0.246308 0.730886 F\n0.010401 0.253692 0.230886 F\n0.510401 0.246308 0.769114 F\n0.511415 0.502559 0.730614 F\n0.011415 0.997441 0.269386 F\n0.988585 0.502559 0.769386 F\n0.488585 0.997441 0.230614 F\n0.488585 0.497441 0.269386 F\n0.988585 0.002559 0.730614 F\n0.011415 0.497441 0.230614 F\n0.511415 0.002559 0.769386 F\n0.822657 0.625606 0.616986 F\n0.322657 0.874394 0.383014 F\n0.677343 0.625606 0.883014 F\n0.177343 0.874394 0.116986 F\n0.177343 0.374394 0.383014 F\n0.677343 0.125606 0.616986 F\n0.322657 0.374394 0.116986 F\n0.822657 0.125606 0.883014 F\n",
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{
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"structure_string": "Al2 Fe1 P2 H18 O18\n1.0\n-4.922673 0.007267 1.861772\n-0.030673 -0.051075 -7.031364\n2.600995 -9.944294 1.162448\nAl Fe P H O\n2 1 2 18 18\ndirect\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n0.008817 0.917137 0.664176 P\n0.991183 0.082863 0.335824 P\n0.837488 0.327176 0.490572 H\n0.162512 0.672824 0.509428 H\n0.618026 0.700413 0.330878 H\n0.381974 0.299587 0.669122 H\n0.699868 0.511328 0.281894 H\n0.300132 0.488672 0.718106 H\n0.324735 0.408683 0.089002 H\n0.675265 0.591317 0.910998 H\n0.180879 0.391328 0.936769 H\n0.819121 0.608672 0.063231 H\n0.310355 0.947351 0.205852 H\n0.689645 0.052649 0.794148 H\n0.545073 0.009007 0.126340 H\n0.454927 0.990993 0.873660 H\n0.075328 0.649065 0.806483 H\n0.924672 0.350935 0.193517 H\n0.896851 0.420468 0.727482 H\n0.103149 0.579532 0.272518 H\n0.806293 0.034276 0.650888 O\n0.193707 0.965724 0.349112 O\n0.870748 0.700856 0.571071 O\n0.129252 0.299144 0.428929 O\n0.088634 0.891330 0.812542 O\n0.911366 0.108670 0.187458 O\n0.718229 0.957150 0.375477 O\n0.281771 0.042850 0.624523 O\n0.648993 0.291316 0.506763 O\n0.351007 0.708684 0.493237 O\n0.552816 0.545059 0.319327 O\n0.447184 0.454941 0.680673 O\n0.255306 0.317076 0.001533 O\n0.744694 0.682924 0.998467 O\n0.338885 0.948334 0.113742 O\n0.661115 0.051666 0.886258 O\n0.070514 0.503619 0.796290 O\n0.929486 0.496381 0.203710 O\n",
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{
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