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{
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{
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"structure_string": "Nd6 Mn2 Bi10\n1.0\n9.652814 -0.000000 -0.000000\n-4.826406 8.359581 -0.000000\n0.000000 -0.000000 6.501816\nNd Mn Bi\n6 2 10\ndirect\n-0.000000 0.380737 0.750000 Nd\n0.619262 0.000000 0.250000 Nd\n0.619262 0.619262 0.750000 Nd\n-0.000000 0.619262 0.250000 Nd\n0.380737 0.380737 0.250000 Nd\n0.380737 0.000000 0.750000 Nd\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.252876 0.250000 Bi\n0.747123 0.747124 0.250000 Bi\n-0.000000 0.747124 0.750000 Bi\n0.747124 0.000000 0.750000 Bi\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.500000 Bi\n0.252876 0.000000 0.250000 Bi\n0.333333 0.666667 0.000000 Bi\n0.252876 0.252876 0.750000 Bi\n0.666667 0.333333 0.500000 Bi\n",
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{
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"structure_string": "Nd6 Mn2 Bi10\n1.0\n9.652815 -0.000000 0.000000\n-4.826407 8.359583 0.000000\n0.000000 0.000000 6.501817\nNd Mn Bi\n6 2 10\ndirect\n-0.000000 0.380737 0.750000 Nd\n0.619263 0.000000 0.250000 Nd\n0.619263 0.619262 0.750000 Nd\n-0.000000 0.619262 0.250000 Nd\n0.380738 0.380737 0.250000 Nd\n0.380738 0.000000 0.750000 Nd\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.252876 0.250000 Bi\n0.747124 0.747124 0.250000 Bi\n-0.000000 0.747124 0.750000 Bi\n0.747124 0.000000 0.750000 Bi\n0.666667 0.333333 0.000000 Bi\n0.333333 0.666667 0.500000 Bi\n0.252876 0.000000 0.250000 Bi\n0.333333 0.666667 0.000000 Bi\n0.252876 0.252876 0.750000 Bi\n0.666667 0.333333 0.500000 Bi\n",
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{
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"structure_string": "Ca4 Sn4 S12\n1.0\n6.402300 -6.402300 0.000000\n6.402300 0.000000 6.402300\n0.000000 -6.402300 6.402300\nCa Sn S\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.404255 0.345745 0.404255 S\n0.845745 0.904255 0.845745 S\n0.404255 0.345745 0.845745 S\n0.845745 0.904255 0.404255 S\n0.154255 0.654255 0.595745 S\n0.595745 0.654255 0.154255 S\n0.595745 0.654255 0.595745 S\n0.154255 0.095745 0.154255 S\n0.404255 0.904255 0.845745 S\n0.154255 0.095745 0.595745 S\n0.595745 0.095745 0.154255 S\n0.845745 0.345745 0.404255 S\n",
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{
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"updated_at": "2022-09-04T14:37:50.851385Z",
"structure_string": "Mg6 Be2 Al16 O32\n1.0\n2.863911 -4.960438 -0.000000\n2.863911 4.960438 0.000000\n-0.000000 -0.000000 18.476029\nMg Be Al O\n6 2 16 32\ndirect\n0.000000 0.000000 0.999908 Mg\n0.000000 0.000000 0.499908 Mg\n0.000000 0.000000 0.799367 Mg\n0.000000 0.000000 0.299367 Mg\n0.333333 0.666667 0.733742 Mg\n0.666667 0.333333 0.233742 Mg\n0.333333 0.666667 0.996655 Be\n0.666667 0.333333 0.496655 Be\n0.333333 0.666667 0.267083 Al\n0.666667 0.333333 0.767083 Al\n0.501541 0.498459 0.393589 Al\n0.498458 0.996917 0.893589 Al\n0.996917 0.498458 0.393589 Al\n0.666667 0.333333 0.049555 Al\n0.333333 0.666667 0.549555 Al\n0.003082 0.501541 0.893589 Al\n0.833176 0.666351 0.639232 Al\n0.333649 0.166824 0.639232 Al\n0.666351 0.833176 0.139232 Al\n0.166824 0.333649 0.139232 Al\n0.833176 0.166824 0.639232 Al\n0.498459 0.501541 0.893589 Al\n0.501541 0.003082 0.393589 Al\n0.166824 0.833176 0.139232 Al\n0.323217 0.161608 0.082580 O\n0.838392 0.161608 0.082580 O\n0.161608 0.838392 0.582580 O\n0.676783 0.838392 0.582580 O\n0.838392 0.676783 0.082580 O\n0.000000 0.000000 0.191495 O\n0.519163 0.480836 0.699831 O\n0.480836 0.961673 0.199831 O\n0.961673 0.480836 0.699831 O\n0.480836 0.519163 0.199831 O\n0.038327 0.519164 0.199831 O\n0.519164 0.038327 0.699831 O\n0.161608 0.323217 0.582580 O\n0.000000 0.000000 0.691495 O\n0.666667 0.333333 0.951705 O\n0.814446 0.628892 0.834449 O\n0.185258 0.814742 0.952698 O\n0.814742 0.629483 0.452698 O\n0.370517 0.185258 0.452698 O\n0.629483 0.814742 0.952698 O\n0.185258 0.370517 0.952698 O\n0.814742 0.185258 0.452698 O\n0.333333 0.666667 0.838638 O\n0.666667 0.333333 0.338638 O\n0.371107 0.185554 0.834449 O\n0.185554 0.371107 0.334449 O\n0.333333 0.666667 0.083817 O\n0.628892 0.814446 0.334449 O\n0.185554 0.814446 0.334449 O\n0.814446 0.185554 0.834449 O\n0.333333 0.666667 0.451705 O\n0.666667 0.333333 0.583817 O\n",
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{
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"structure_string": "Zr6 Tl4 O2 F24\n1.0\n7.247334 -0.028820 8.212552\n3.085982 6.557545 8.212552\n-0.045615 -0.028820 10.952980\nZr Tl O F\n6 4 2 24\ndirect\n0.576145 0.029651 0.576144 Zr\n0.576144 0.576144 0.029651 Zr\n0.029652 0.576144 0.576144 Zr\n0.970349 0.423855 0.423856 Zr\n0.423856 0.970348 0.423856 Zr\n0.423856 0.423855 0.970349 Zr\n0.000000 0.000000 0.000000 Tl\n0.138244 0.138244 0.138244 Tl\n0.861756 0.861756 0.861756 Tl\n0.500000 0.500000 0.500000 Tl\n0.712552 0.712551 0.712552 O\n0.287448 0.287448 0.287448 O\n0.000000 0.351753 0.648246 F\n0.706303 0.706303 0.371070 F\n0.706304 0.371070 0.706303 F\n0.371071 0.706303 0.706303 F\n0.628930 0.293696 0.293697 F\n0.293697 0.293696 0.628929 F\n0.293697 0.628929 0.293697 F\n0.910758 0.910758 0.403114 F\n0.403114 0.910758 0.910758 F\n0.596886 0.089242 0.089242 F\n0.351754 0.648246 0.000000 F\n0.089242 0.089242 0.596886 F\n0.650947 0.650947 0.081294 F\n0.650947 0.081294 0.650947 F\n0.081294 0.650947 0.650947 F\n0.918706 0.349053 0.349053 F\n0.910758 0.403114 0.910758 F\n0.349053 0.918705 0.349053 F\n0.351754 0.000000 0.648246 F\n0.000000 0.648246 0.351754 F\n0.648246 0.351753 0.000000 F\n0.648246 0.000000 0.351754 F\n0.089242 0.596886 0.089242 F\n0.349053 0.349053 0.918706 F\n",
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{
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"structure_string": "Ba4 Ca2 Mg2 Al4 F28\n1.0\n5.240271 0.000000 0.000000\n-2.620136 6.824902 -0.220117\n0.000000 -0.003362 14.682696\nBa Ca Mg Al F\n4 2 2 4 28\ndirect\n0.844949 0.615255 0.382048 Ba\n0.229695 0.384745 0.117952 Ba\n0.155050 0.384745 0.617952 Ba\n0.770304 0.615255 0.882048 Ba\n0.560913 0.000000 0.250000 Ca\n0.439087 0.000000 0.750000 Ca\n0.500000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.878627 0.767365 0.621877 Al\n0.111263 0.232636 0.878123 Al\n0.121372 0.232636 0.378123 Al\n0.888736 0.767364 0.121877 Al\n0.068458 0.014351 0.659410 F\n0.039312 0.680498 0.716108 F\n0.358814 0.319502 0.783892 F\n0.960687 0.319502 0.283892 F\n0.641185 0.680498 0.216108 F\n0.512499 0.131768 0.119246 F\n0.590121 0.745007 0.694750 F\n0.154884 0.745006 0.194749 F\n0.409878 0.254993 0.305251 F\n0.380729 0.868231 0.380754 F\n0.054106 0.985649 0.840590 F\n0.845115 0.254994 0.805251 F\n0.931541 0.985649 0.340590 F\n0.265478 0.156462 0.476676 F\n0.596573 0.773594 0.051052 F\n0.822979 0.226406 0.448948 F\n0.403426 0.226406 0.948948 F\n0.177020 0.773594 0.551052 F\n0.619270 0.131769 0.619246 F\n0.109016 0.843538 0.023324 F\n0.734521 0.843538 0.523325 F\n0.890983 0.156462 0.976676 F\n0.716527 0.517276 0.578133 F\n0.199252 0.482724 0.921867 F\n0.283472 0.482724 0.421867 F\n0.800747 0.517276 0.078133 F\n0.945893 0.014351 0.159410 F\n0.487500 0.868232 0.880754 F\n",
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"structure_string": "Al2 Bi2 Br12\n1.0\n7.766130 -0.205493 0.046971\n-1.208458 7.492700 -0.132921\n-2.460693 -2.355614 9.088866\nAl Bi Br\n2 2 12\ndirect\n0.680082 0.272287 0.843162 Al\n0.319918 0.727714 0.156839 Al\n0.803189 0.481008 0.291489 Bi\n0.196812 0.518993 0.708512 Bi\n0.526331 0.289594 0.352903 Br\n0.473670 0.710407 0.647097 Br\n0.759264 0.586951 0.962526 Br\n0.240736 0.413051 0.037474 Br\n0.842512 0.182576 0.681456 Br\n0.157489 0.817425 0.318545 Br\n0.744122 0.128015 0.034337 Br\n0.255878 0.871986 0.965663 Br\n0.368047 0.177614 0.707967 Br\n0.631953 0.822387 0.292034 Br\n0.067362 0.294000 0.405122 Br\n0.932639 0.706001 0.594878 Br\n",
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{
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"structure_string": "Nd6 Cu2 Ge2 S14\n1.0\n10.181208 -0.000000 0.000000\n-5.090604 8.817185 0.000000\n-0.000000 0.000000 5.851943\nNd Cu Ge S\n6 2 2 14\ndirect\n0.227972 0.870948 0.750536 Nd\n0.357023 0.227972 0.250537 Nd\n0.772028 0.129051 0.250537 Nd\n0.129051 0.357023 0.750536 Nd\n0.870949 0.642976 0.250537 Nd\n0.642977 0.772027 0.750536 Nd\n0.000000 0.000000 0.220472 Cu\n0.000000 0.000000 0.720471 Cu\n0.666667 0.333333 0.831794 Ge\n0.333333 0.666667 0.331794 Ge\n0.092610 0.254675 0.231981 S\n0.581544 0.479576 0.986608 S\n0.520424 0.101968 0.986608 S\n0.418456 0.520424 0.486609 S\n0.479576 0.898031 0.486609 S\n0.745326 0.837935 0.231981 S\n0.907390 0.745325 0.731981 S\n0.333333 0.666667 0.955054 S\n0.898032 0.418456 0.986608 S\n0.162065 0.907390 0.231981 S\n0.254675 0.162065 0.731981 S\n0.837935 0.092610 0.731981 S\n0.666667 0.333333 0.455054 S\n0.101969 0.581544 0.486609 S\n",
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{
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"structure_string": "Pr4 U2 Te10\n1.0\n9.889750 0.018745 0.128928\n7.901108 5.948109 0.128928\n-0.017073 -0.005726 8.953247\nPr U Te\n4 2 10\ndirect\n0.249575 0.252360 0.267761 Pr\n0.580707 0.595717 0.259545 Pr\n0.747641 0.750424 0.732240 Pr\n0.404284 0.419293 0.740455 Pr\n0.933521 0.901745 0.262581 U\n0.098255 0.066480 0.737420 U\n0.244630 0.247761 0.636491 Te\n0.913948 0.921960 0.628933 Te\n0.592557 0.573123 0.636101 Te\n0.752239 0.755370 0.363510 Te\n0.426877 0.407444 0.363900 Te\n0.078039 0.086053 0.371068 Te\n0.420030 0.944746 0.997511 Te\n0.055254 0.579971 0.002490 Te\n0.753090 0.246910 0.000000 Te\n0.249374 0.750626 0.000000 Te\n",
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{
"id": "jvasp-12181",
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"updated_at": "2022-09-04T14:36:54.159786Z",
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}