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{
"id": "jvasp-28810",
"created_at": "2022-09-04T14:38:34.820245Z",
"updated_at": "2022-09-04T14:38:34.820261Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.384755 0.000070 -0.006017\n-1.692316 2.931435 0.014251\n-0.060945 0.131375 33.553630\nTe Mo W Se\n2 3 1 6\ndirect\n0.333900 0.661579 0.733063 Te\n0.334919 0.672203 0.620809 Te\n0.333775 0.664103 0.080340 Mo\n0.666010 0.335225 0.275505 Mo\n0.667739 0.333532 0.676989 Mo\n0.332470 0.667125 0.470089 W\n0.332238 0.664115 0.324797 Se\n0.667550 0.335315 0.031076 Se\n0.666302 0.338395 0.420576 Se\n0.666660 0.326191 0.129649 Se\n0.665313 0.329190 0.519655 Se\n0.333118 0.673024 0.226200 Se\n",
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"structure_string": "Si8 O16\n1.0\n3.879735 0.000000 0.000000\n0.000000 8.699506 0.000000\n0.000000 0.000000 9.865029\nSi O\n8 16\ndirect\n0.343093 0.325127 0.608076 Si\n0.656906 0.674873 0.608076 Si\n0.343093 0.825127 0.891924 Si\n0.656906 0.174873 0.891924 Si\n0.343093 0.174873 0.108076 Si\n0.656906 0.825127 0.108076 Si\n0.343093 0.674873 0.391924 Si\n0.656906 0.325127 0.391924 Si\n0.499999 0.250000 0.750000 O\n0.499999 0.250000 0.250000 O\n0.499999 0.500000 0.633902 O\n0.499999 0.750000 0.750000 O\n0.000000 0.644680 0.500000 O\n0.499999 0.699420 0.000000 O\n0.499999 0.000000 0.866098 O\n0.499999 0.500000 0.366098 O\n0.499999 0.000000 0.133902 O\n0.000000 0.144680 0.000000 O\n0.000000 0.855321 0.000000 O\n0.499999 0.300580 0.000000 O\n0.499999 0.750000 0.250000 O\n0.000000 0.355320 0.500000 O\n0.499999 0.199420 0.500000 O\n0.499999 0.800581 0.500000 O\n",
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{
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"structure_string": "Sr4 Tc4 N12\n1.0\n-3.158071 5.084770 -1.184450\n0.043059 -0.023306 -7.522094\n-5.544509 -5.074311 0.306730\nSr Tc N\n4 4 12\ndirect\n0.750000 0.328360 0.328360 Sr\n0.250000 0.092045 0.092045 Sr\n0.250000 0.671640 0.671640 Sr\n0.750000 0.907954 0.907955 Sr\n0.741982 0.799622 0.376518 Tc\n0.758018 0.376518 0.799623 Tc\n0.241982 0.623481 0.200377 Tc\n0.258018 0.200377 0.623482 Tc\n0.835664 0.869528 0.593103 N\n0.490829 0.679799 0.371998 N\n-0.009171 0.628002 0.320200 N\n0.166539 0.766038 0.012357 N\n0.509170 0.320200 0.628002 N\n0.666539 0.987642 0.233961 N\n0.664335 0.593103 0.869529 N\n0.333461 0.012357 0.766039 N\n0.335664 0.406897 0.130472 N\n0.009171 0.371998 0.679800 N\n0.833461 0.233961 0.987643 N\n0.164336 0.130471 0.406897 N\n",
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{
"id": "jvasp-13805",
"created_at": "2022-09-04T14:37:09.652012Z",
"updated_at": "2022-09-04T14:37:09.652033Z",
"structure_string": "Ag1 Te6 Mo6\n1.0\n4.599874 0.000000 0.000000\n-2.299937 7.784460 -4.334506\n0.000000 -0.053161 9.332047\nAg Te Mo\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.116000 0.232000 0.641825 Te\n0.539632 0.079265 0.252326 Te\n0.460366 0.920735 0.747674 Te\n0.818980 0.637963 0.900956 Te\n0.181018 0.362037 0.099044 Te\n0.883999 0.768000 0.358175 Te\n0.715321 0.430644 0.313423 Mo\n0.284677 0.569356 0.686577 Mo\n0.846925 0.693854 0.621025 Mo\n0.153073 0.306146 0.378975 Mo\n0.686375 0.372752 0.567004 Mo\n0.313624 0.627248 0.432996 Mo\n",
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{
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"created_at": "2022-09-04T14:36:43.966797Z",
"updated_at": "2022-09-04T14:36:43.966807Z",
"structure_string": "K2 Li1 Nd1 Br6\n1.0\n6.738607 -0.000000 3.890536\n2.246203 6.353219 3.890536\n-0.000000 -0.000000 7.781072\nK Li Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.741058 0.258942 0.258943 Br\n0.258942 0.258942 0.741058 Br\n0.258942 0.741058 0.741058 Br\n0.258942 0.741058 0.258943 Br\n0.741058 0.258942 0.741058 Br\n0.741058 0.741058 0.258943 Br\n",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:35:53.059848Z",
"updated_at": "2022-09-04T14:35:53.059868Z",
"structure_string": "Pr4 Pb2 S8\n1.0\n7.132198 -0.004808 -2.518669\n-3.570263 6.174259 -2.518668\n0.002775 0.004808 7.563856\nPr Pb S\n4 2 8\ndirect\n0.116373 0.750000 0.866373 Pr\n0.250001 0.616373 0.366373 Pr\n0.383628 0.250000 0.633628 Pr\n0.750001 0.883628 0.133628 Pr\n0.625000 0.375000 0.250000 Pb\n0.875001 0.125000 0.750001 Pb\n0.008694 0.855562 0.498384 S\n0.010310 0.357178 0.501617 S\n0.489691 0.991307 0.346868 S\n0.144439 0.142822 0.153132 S\n0.355562 0.508694 0.998385 S\n0.642823 0.644439 0.653133 S\n0.491308 0.989691 0.846869 S\n0.857178 0.510309 0.001616 S\n",
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{
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"created_at": "2022-09-04T14:35:41.154025Z",
"updated_at": "2022-09-04T14:35:41.154051Z",
"structure_string": "Fe8 P4 O20\n1.0\n6.291743 -0.000000 0.000000\n-0.000000 7.165876 0.000000\n0.000000 0.000000 7.389697\nFe P O\n8 4 20\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.250000 0.639003 0.765150 Fe\n0.750000 0.360998 0.234851 Fe\n0.250000 0.139003 0.734851 Fe\n0.750000 0.860998 0.265150 Fe\n0.500000 0.000000 0.000000 Fe\n0.750000 0.613370 0.875777 P\n0.250000 0.386630 0.124224 P\n0.750000 0.113370 0.624224 P\n0.250000 0.886631 0.375777 P\n0.750000 0.293750 0.503314 O\n0.250000 0.706251 0.496686 O\n0.750000 0.793750 -0.003314 O\n0.250000 0.206250 0.003314 O\n0.557500 0.627203 0.744961 O\n0.750000 0.109340 0.149200 O\n0.250000 0.890660 0.850801 O\n0.750000 0.937242 0.512434 O\n0.250000 0.062759 0.487567 O\n0.750000 0.437241 0.987567 O\n0.250000 0.562759 0.012433 O\n0.557500 0.127203 0.755040 O\n0.057500 0.872798 0.244961 O\n0.942500 0.627203 0.744961 O\n0.442500 0.372797 0.255039 O\n0.442500 0.872798 0.244961 O\n0.942500 0.127203 0.755040 O\n0.057500 0.372797 0.255039 O\n0.250000 0.390660 0.649200 O\n0.750000 0.609341 0.350801 O\n",
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{
"id": "jvasp-13078",
"created_at": "2022-09-04T14:37:01.134096Z",
"updated_at": "2022-09-04T14:37:01.134132Z",
"structure_string": "Li4 B4 Se10\n1.0\n5.155472 -0.000000 1.172849\n2.462074 5.341732 1.094837\n-0.040563 0.056532 12.095642\nLi B Se\n4 4 10\ndirect\n0.856541 0.315707 0.931702 Li\n0.103951 0.184292 0.568298 Li\n0.143458 0.684292 0.068298 Li\n0.896048 0.815707 0.431703 Li\n0.307414 0.574117 0.707381 B\n0.588913 0.925882 0.792619 B\n0.692586 0.425882 0.292619 B\n0.411087 0.074118 0.207381 B\n0.733471 0.928889 0.939009 Se\n0.601369 0.571110 0.560991 Se\n0.076010 0.149080 0.340686 Se\n0.565775 0.350920 0.159314 Se\n0.758818 0.750000 0.250000 Se\n0.434224 0.649079 0.840686 Se\n0.241182 0.250000 0.750000 Se\n0.398630 0.428889 0.439009 Se\n0.923990 0.850919 0.659314 Se\n0.266529 0.071110 0.060991 Se\n",
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{
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"created_at": "2022-09-04T14:37:28.293070Z",
"updated_at": "2022-09-04T14:37:28.293091Z",
"structure_string": "Sb2 I6\n1.0\n6.654466 0.023797 4.682924\n2.443504 6.189649 4.682926\n0.034843 0.023793 8.136982\nSb I\n2 6\ndirect\n0.167477 0.167477 0.167477 Sb\n0.832522 0.832523 0.832523 Sb\n0.416229 0.077210 0.747444 I\n0.747444 0.416229 0.077209 I\n0.077209 0.747444 0.416229 I\n0.583771 0.922791 0.252556 I\n0.252555 0.583771 0.922791 I\n0.922790 0.252556 0.583771 I\n",
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{
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{
"id": "jvasp-97848",
"created_at": "2022-09-04T14:36:10.360723Z",
"updated_at": "2022-09-04T14:36:10.360743Z",
"structure_string": "Ti12 Ni12 O4\n1.0\n6.739523 0.000000 3.891065\n2.246508 6.354083 3.891065\n-0.000000 -0.000000 7.782132\nTi Ni O\n12 12 4\ndirect\n0.930593 0.930592 0.319409 Ti\n0.069408 0.680592 0.680593 Ti\n0.319408 0.930592 0.930593 Ti\n0.680592 0.069407 0.680593 Ti\n0.680593 0.680592 0.069408 Ti\n0.069407 0.069407 0.680593 Ti\n0.069408 0.680592 0.069408 Ti\n0.319408 0.930592 0.319408 Ti\n0.930592 0.319407 0.930593 Ti\n0.930592 0.319407 0.319408 Ti\n0.319407 0.319407 0.930593 Ti\n0.680592 0.069407 0.069408 Ti\n0.500000 0.500000 0.500001 Ni\n0.711084 0.711084 0.366750 Ni\n0.711084 0.366749 0.711085 Ni\n0.366749 0.711084 0.711084 Ni\n0.288916 0.633250 0.288917 Ni\n0.633251 0.288916 0.288917 Ni\n0.288916 0.288916 0.633251 Ni\n0.711084 0.711084 0.711085 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000001 Ni\n0.288916 0.288916 0.288916 Ni\n0.500000 -0.000000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:38.207650Z",
"updated_at": "2022-09-04T14:38:38.207678Z",
"structure_string": "U6 Ga4 Ge6\n1.0\n6.727056 0.012250 -3.952233\n-2.197452 6.358037 -3.952233\n-0.008710 -0.012250 7.802137\nU Ga Ge\n6 4 6\ndirect\n0.363964 0.172331 0.500001 U\n0.672332 0.863964 0.500001 U\n0.172332 0.672331 0.808369 U\n0.863964 0.363964 0.191633 U\n0.749343 0.749343 0.000001 U\n0.249343 0.249342 0.000000 U\n0.692402 0.475397 0.500001 Ga\n0.975397 0.192401 0.500001 Ga\n0.475397 0.975397 0.782997 Ga\n0.192401 0.692401 0.217005 Ga\n0.351968 0.554457 0.500001 Ge\n0.054457 0.851968 0.500001 Ge\n0.554457 0.054457 0.202489 Ge\n0.851969 0.351968 0.797512 Ge\n0.999485 0.999484 0.000002 Ge\n0.499485 0.499484 0.000001 Ge\n",
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]
}