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{
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"structure_string": "Nd14 S12 Cl18\n1.0\n6.690905 0.000000 0.000000\n0.000000 6.925199 -0.921156\n0.000000 -0.072538 24.406993\nNd S Cl\n14 12 18\ndirect\n0.287028 0.250000 -0.000000 Nd\n0.696062 0.378682 0.143395 Nd\n0.718626 0.507885 0.422895 Nd\n0.303938 0.878682 0.143395 Nd\n0.281375 0.007885 0.422895 Nd\n0.304129 0.137552 0.715234 Nd\n0.695872 0.637552 0.715234 Nd\n0.695872 0.862448 0.284766 Nd\n0.304129 0.362448 0.284766 Nd\n0.303938 0.621318 0.856605 Nd\n0.712973 0.750000 -0.000000 Nd\n0.281375 0.492114 0.577105 Nd\n0.696062 0.121318 0.856605 Nd\n0.718626 0.992114 0.577105 Nd\n0.444225 0.687784 0.360837 S\n0.556465 0.118775 0.217415 S\n0.555776 0.312216 0.639163 S\n0.443535 0.881225 0.782585 S\n0.444225 0.812216 0.639163 S\n0.461709 0.924650 0.928443 S\n0.461709 0.575349 0.071556 S\n0.538292 0.424650 0.928443 S\n0.443535 0.618775 0.217415 S\n0.538292 0.075349 0.071557 S\n0.556465 0.381225 0.782585 S\n0.555776 0.187784 0.360837 S\n0.066754 0.231484 0.189359 Cl\n0.043162 0.941932 0.059923 Cl\n0.082393 0.033090 0.320302 Cl\n0.885419 0.886106 0.443839 Cl\n0.556257 0.250000 0.500000 Cl\n0.082393 0.466910 0.679698 Cl\n0.114582 0.113894 0.556161 Cl\n0.956839 0.441932 0.059923 Cl\n0.043162 0.558068 0.940077 Cl\n0.443744 0.750000 0.500000 Cl\n0.917607 0.533090 0.320302 Cl\n0.917607 0.966910 0.679698 Cl\n0.114582 0.386106 0.443839 Cl\n0.933247 0.731484 0.189359 Cl\n0.066754 0.268516 0.810641 Cl\n0.956839 0.058068 0.940077 Cl\n0.885419 0.613894 0.556161 Cl\n0.933247 0.768516 0.810641 Cl\n",
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"structure_string": "K4 Nd2 P10 O30\n1.0\n7.139993 0.062743 -0.048993\n-2.229532 6.783261 -0.048993\n0.001858 0.002590 13.275479\nK Nd P O\n4 2 10 30\ndirect\n0.446302 0.196282 0.944767 K\n0.297986 0.687701 0.747480 K\n0.196282 0.446302 0.444767 K\n0.687701 0.297986 0.247480 K\n0.903354 0.097216 0.748170 Nd\n0.097217 0.903354 0.248170 Nd\n0.995130 0.385684 0.993686 P\n0.040289 0.814605 0.968223 P\n0.558598 0.806852 0.156787 P\n0.806852 0.558598 0.656787 P\n0.237455 0.435501 0.175752 P\n0.814604 0.040288 0.468223 P\n0.435502 0.237454 0.675752 P\n0.610705 0.756608 0.938965 P\n0.385684 0.995130 0.493686 P\n0.756608 0.610704 0.438965 P\n0.476576 0.562259 0.907548 O\n0.560218 0.117334 0.713574 O\n0.914874 0.440918 0.712576 O\n0.131968 0.923975 0.062131 O\n0.092436 0.612161 0.960442 O\n0.361859 0.177058 0.562355 O\n0.729501 0.808321 0.483233 O\n0.530377 0.843289 0.038556 O\n0.612161 0.092436 0.460442 O\n0.923975 0.131967 0.562131 O\n0.921493 0.650835 0.364512 O\n0.843289 0.530377 0.538556 O\n-0.004708 0.265875 0.901322 O\n0.562260 0.476575 0.407548 O\n0.349640 0.811887 0.553267 O\n0.465616 0.569354 0.165311 O\n0.440918 0.914874 0.212576 O\n0.650836 0.921493 0.864512 O\n0.245675 0.258418 0.233480 O\n0.852066 0.770877 0.684292 O\n0.811887 0.349639 0.053267 O\n0.117334 0.560218 0.213574 O\n0.808321 0.729500 0.983233 O\n0.177058 0.361859 0.062355 O\n0.569354 0.465616 0.665311 O\n0.092394 0.913782 0.868378 O\n0.913781 0.092393 0.368378 O\n0.770878 0.852066 0.184292 O\n0.265875 -0.004708 0.401322 O\n0.258419 0.245675 0.733480 O\n",
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{
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"structure_string": "K6 Al6 B6 O21\n1.0\n8.601791 -0.000000 0.000000\n-4.300895 7.449369 -0.000000\n0.000000 -0.000000 8.403165\nK Al B O\n6 6 6 21\ndirect\n0.353923 0.000000 0.500000 K\n-0.000000 0.315251 0.000000 K\n0.315251 0.000000 0.000000 K\n0.646076 0.646077 0.500000 K\n0.684748 0.684749 0.000000 K\n-0.000000 0.353923 0.500000 K\n0.000000 0.000000 0.704846 Al\n0.666667 0.333333 0.225009 Al\n0.333333 0.666667 0.774990 Al\n0.000000 0.000000 0.295154 Al\n0.333333 0.666667 0.186564 Al\n0.666667 0.333333 0.813435 Al\n0.664822 0.998898 0.742084 B\n0.665925 0.001102 0.257916 B\n0.998898 0.664823 0.257916 B\n0.334075 0.335177 0.742084 B\n0.335177 0.334075 0.257916 B\n0.001101 0.665925 0.742084 B\n0.483119 0.884845 0.256475 O\n0.000000 0.000000 0.500000 O\n0.666667 0.333333 0.019228 O\n0.550710 0.820530 0.704225 O\n0.783866 0.940981 0.222482 O\n0.059019 0.842886 0.222482 O\n0.516880 0.401725 0.743525 O\n0.940980 0.783867 0.777517 O\n0.179469 0.730181 0.704225 O\n0.269819 0.449289 0.704225 O\n0.115155 0.598275 0.256475 O\n0.333333 0.666667 0.980771 O\n0.401725 0.516881 0.256475 O\n0.884844 0.483119 0.743525 O\n0.216133 0.157114 0.777517 O\n0.449289 0.269819 0.295775 O\n0.157114 0.216133 0.222482 O\n0.842886 0.059019 0.777517 O\n0.730180 0.179470 0.295775 O\n0.820530 0.550711 0.295775 O\n0.598275 0.115155 0.743525 O\n",
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{
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"created_at": "2022-09-04T14:36:02.034275Z",
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"structure_string": "Si8 O16\n1.0\n6.677961 -0.560825 0.000000\n-1.079132 6.614013 -0.000000\n-0.000000 0.000000 9.183742\nSi O\n8 16\ndirect\n0.680680 0.927810 0.415382 Si\n0.927811 0.680679 0.915382 Si\n0.319320 0.072189 0.915382 Si\n0.680680 0.927810 0.084618 Si\n0.319320 0.072189 0.584618 Si\n0.072189 0.319320 0.415382 Si\n0.927811 0.680679 0.584618 Si\n0.072189 0.319320 0.084618 Si\n0.500000 -0.000000 0.000000 O\n0.606996 0.859733 0.250000 O\n0.140266 0.393004 0.250000 O\n0.883546 0.116453 0.410641 O\n0.733556 0.733556 0.000000 O\n0.116454 0.883545 0.910641 O\n0.266444 0.266443 0.500000 O\n0.733556 0.733556 0.500000 O\n0.859734 0.606995 0.750000 O\n0.393004 0.140266 0.750000 O\n0.500000 -0.000000 0.500000 O\n0.883546 0.116453 0.089359 O\n0.116454 0.883545 0.589359 O\n0.266444 0.266443 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "jvasp-97445",
"created_at": "2022-09-04T14:36:05.912309Z",
"updated_at": "2022-09-04T14:36:05.912329Z",
"structure_string": "Ba6 Zn10 In4 O22\n1.0\n8.257721 0.000000 4.767597\n2.752574 7.785454 4.767597\n0.000000 0.000000 9.535194\nBa Zn In O\n6 10 4 22\ndirect\n0.294113 0.294113 0.705887 Ba\n0.294113 0.705886 0.294114 Ba\n0.705887 0.294113 0.294114 Ba\n0.705887 0.705886 0.294114 Ba\n0.294113 0.705886 0.705887 Ba\n0.705887 0.294113 0.705887 Ba\n0.418502 0.081498 0.081498 Zn\n0.751112 0.082962 0.082963 Zn\n0.418502 0.081498 0.418502 Zn\n0.081498 0.418502 0.418502 Zn\n0.081498 0.418502 0.081498 Zn\n0.418502 0.418502 0.081498 Zn\n0.082962 0.082962 0.751112 Zn\n0.082962 0.751112 0.082963 Zn\n0.082962 0.082962 0.082963 Zn\n0.081498 0.081498 0.418502 Zn\n0.834878 0.834878 0.834879 In\n0.834878 0.834878 0.495364 In\n0.834879 0.495364 0.834879 In\n0.495363 0.834878 0.834879 In\n0.671330 0.333633 0.997518 O\n0.667825 0.996523 0.667826 O\n0.667825 0.667825 0.996524 O\n0.342390 0.342390 0.972830 O\n0.997518 0.997517 0.333634 O\n0.333633 0.671330 0.997518 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.997518 0.671330 0.997518 O\n0.997518 0.333633 0.997518 O\n0.342390 0.972830 0.342391 O\n0.972830 0.342390 0.342390 O\n0.997518 0.997517 0.671331 O\n0.667825 0.667825 0.667826 O\n0.671330 0.997517 0.997518 O\n0.333633 0.997517 0.997518 O\n0.333633 0.997517 0.671331 O\n0.342390 0.342390 0.342390 O\n0.997518 0.671330 0.333634 O\n0.671330 0.997517 0.333634 O\n0.997518 0.333633 0.671331 O\n0.996523 0.667825 0.667826 O\n",
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{
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"structure_string": "Si6 Ag18 O21\n1.0\n7.903286 0.025612 1.781428\n1.784183 7.699303 1.781428\n-0.061802 -0.049281 10.661588\nSi Ag O\n6 18 21\ndirect\n0.894917 0.894916 0.126490 Si\n0.105083 0.105083 0.873510 Si\n0.800950 0.800949 0.611960 Si\n0.344677 0.344676 0.875782 Si\n0.199050 0.199050 0.388041 Si\n0.655324 0.655323 0.124218 Si\n0.995250 0.636478 0.866479 Ag\n0.147272 0.840824 0.341642 Ag\n0.450593 0.098911 0.627180 Ag\n0.276211 0.559128 0.144689 Ag\n0.461310 0.461310 0.370259 Ag\n0.004751 0.363521 0.133521 Ag\n0.723790 0.440871 0.855311 Ag\n0.901089 0.549407 0.372821 Ag\n0.840825 0.147271 0.341642 Ag\n0.363522 0.004751 0.133521 Ag\n0.852729 0.159175 0.658359 Ag\n0.559129 0.276211 0.144689 Ag\n0.098911 0.450592 0.627180 Ag\n0.440872 0.723789 0.855311 Ag\n0.636479 0.995249 0.866479 Ag\n0.549408 0.901088 0.372821 Ag\n0.159176 0.852728 0.658359 Ag\n0.538690 0.538690 0.629741 Ag\n0.000000 0.000000 0.000000 O\n0.248336 0.527370 0.931271 O\n0.026338 0.752696 0.214963 O\n0.373489 0.373489 0.715674 O\n0.210104 0.210104 0.935273 O\n0.754173 0.754172 0.774854 O\n0.702034 0.702033 0.540632 O\n0.789896 0.789895 0.064728 O\n0.261885 0.986913 0.435909 O\n0.752697 0.026338 0.214962 O\n0.297967 0.297966 0.459368 O\n0.973663 0.247303 0.785038 O\n0.472630 0.751664 0.068730 O\n0.013087 0.738115 0.564092 O\n0.751664 0.472630 0.068730 O\n0.626511 0.626511 0.284327 O\n0.527370 0.248336 0.931271 O\n0.245827 0.245827 0.225146 O\n0.738115 0.013087 0.564092 O\n0.247304 0.973662 0.785038 O\n0.986914 0.261885 0.435909 O\n",
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{
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"structure_string": "Sb4 S4 Br12 F24\n1.0\n8.038151 0.000000 0.000000\n0.000000 9.036977 0.000000\n0.000000 0.000000 12.546583\nSb S Br F\n4 4 12 24\ndirect\n0.313699 0.965518 0.185355 Sb\n0.686301 0.465518 0.314645 Sb\n0.186301 0.034483 0.685355 Sb\n0.813699 0.534483 0.814645 Sb\n0.644629 0.024956 0.476025 S\n0.355371 0.524956 0.023975 S\n0.144629 0.475045 0.523975 S\n0.855371 0.975045 0.976024 S\n0.208996 0.315360 0.399089 Br\n0.708996 0.184640 0.600910 Br\n0.640395 0.813041 0.562250 Br\n0.791004 0.815360 0.100910 Br\n0.133188 0.503558 0.127549 Br\n0.859605 0.186960 0.062250 Br\n0.866812 0.003558 0.372451 Br\n0.633188 0.996443 0.872451 Br\n0.140395 0.686960 0.437750 Br\n0.366812 0.496442 0.627549 Br\n0.291004 0.684640 0.899089 Br\n0.359605 0.313041 0.937750 Br\n0.220216 0.155345 0.222906 F\n0.302230 0.027851 0.551325 F\n0.900720 0.726375 0.850937 F\n0.400720 0.773626 0.149063 F\n0.619663 0.625178 0.750470 F\n0.802230 0.472149 0.448674 F\n0.002009 0.437720 0.875965 F\n0.697770 0.527851 0.948674 F\n0.497991 0.562280 0.375965 F\n0.119663 0.874822 0.249530 F\n0.921748 0.548090 0.678793 F\n0.720216 0.344655 0.777094 F\n0.880337 0.374822 0.250470 F\n0.197770 0.972150 0.051326 F\n0.779783 0.655345 0.277094 F\n0.421748 0.951911 0.321207 F\n0.279784 0.844655 0.722906 F\n0.099280 0.226375 0.649062 F\n0.599280 0.273625 0.350937 F\n0.380337 0.125178 0.749530 F\n0.078252 0.048089 0.821207 F\n0.578251 0.451911 0.178793 F\n-0.002009 0.937720 0.624035 F\n0.502009 0.062280 0.124035 F\n",
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{
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"structure_string": "Nd2 Al2 O6\n1.0\n4.630144 -0.009128 2.625587\n1.525227 4.371729 2.625587\n-0.012880 -0.009128 5.322760\nNd Al O\n2 2 6\ndirect\n0.750000 0.750000 0.750001 Nd\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.300942 0.750000 0.199059 O\n0.750000 0.199058 0.300943 O\n0.199058 0.300942 0.750000 O\n0.699058 0.250000 0.800943 O\n0.800942 0.699058 0.250001 O\n0.250000 0.800942 0.699059 O\n",
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