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{
"id": "jvasp-109230",
"created_at": "2022-09-04T14:38:10.328855Z",
"updated_at": "2022-09-04T14:38:10.328876Z",
"structure_string": "K2 Li1 Bi1 Br6\n1.0\n6.741386 -0.000000 3.892141\n2.247129 6.355839 3.892141\n-0.000000 -0.000000 7.784282\nK Li Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.741791 0.258209 0.258209 Br\n0.258209 0.258209 0.741791 Br\n0.258209 0.741791 0.741790 Br\n0.258209 0.741791 0.258209 Br\n0.741791 0.258209 0.741790 Br\n0.741791 0.741791 0.258209 Br\n",
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{
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"structure_string": "K2 Li2 Be2 F8\n1.0\n2.527103 -4.377071 -0.000000\n2.527103 4.377071 0.000000\n-0.000000 -0.000000 8.650791\nK Li Be F\n2 2 2 8\ndirect\n0.000000 0.000000 0.502184 K\n0.000000 0.000000 0.002185 K\n0.666666 0.333332 0.696574 Li\n0.333332 0.666666 0.196574 Li\n0.333332 0.666666 0.804110 Be\n0.666666 0.333332 0.304110 Be\n0.335127 0.372821 0.748523 F\n0.962304 0.335126 0.248523 F\n0.333332 0.666666 0.985560 F\n0.666666 0.333332 0.485560 F\n0.037694 0.664873 0.748523 F\n0.664872 0.627178 0.248523 F\n0.372821 0.037694 0.248523 F\n0.627178 0.962304 0.748523 F\n",
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{
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"structure_string": "K4 Li2 B2 O6\n1.0\n5.234475 -0.008878 0.970338\n1.709895 4.947329 0.970338\n0.027049 0.019236 7.336679\nK Li B O\n4 2 2 6\ndirect\n0.840388 0.507740 0.323393 K\n0.164360 0.835641 0.500000 K\n0.999553 0.000448 0.000000 K\n0.492261 0.159614 0.676608 K\n0.269301 0.460058 0.967381 Li\n0.539944 0.730700 0.032619 Li\n0.489884 0.213104 0.217224 B\n0.786898 0.510117 0.782776 B\n0.369916 0.495713 0.212617 O\n0.504288 0.630086 0.787384 O\n0.676966 0.060074 0.335283 O\n0.905465 0.577939 0.914630 O\n0.422063 0.094536 0.085370 O\n0.939928 0.323035 0.664717 O\n",
"nsites": 14,
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{
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"updated_at": "2022-09-04T14:36:12.932285Z",
"structure_string": "K4 Li8 B4 O12\n1.0\n6.377296 -0.000000 0.000000\n-0.000000 6.474720 0.000000\n0.000000 0.000000 7.919134\nK Li B O\n4 8 4 12\ndirect\n0.750000 0.393553 0.997019 K\n0.750000 0.106447 0.497020 K\n0.250000 0.893553 0.502980 K\n0.250000 0.606447 0.002980 K\n0.540401 0.964938 0.859997 Li\n0.459599 0.035062 0.140003 Li\n0.040401 0.464938 0.640003 Li\n0.959600 0.964938 0.859997 Li\n0.959600 0.535062 0.359997 Li\n0.459599 0.464938 0.640003 Li\n0.040401 0.035062 0.140003 Li\n0.540401 0.535062 0.359997 Li\n0.750000 0.670077 0.656845 B\n0.250000 0.329923 0.343155 B\n0.750000 0.829923 0.156845 B\n0.250000 0.170077 0.843155 B\n0.441794 0.240575 0.785462 O\n0.441794 0.259425 0.285462 O\n0.941794 0.740575 0.714537 O\n0.750000 0.509092 0.537505 O\n0.250000 0.490908 0.462495 O\n0.058207 0.240575 0.785462 O\n0.941794 0.759425 0.214538 O\n0.558207 0.759425 0.214538 O\n0.750000 0.990908 0.037505 O\n0.058207 0.259425 0.285462 O\n0.250000 0.009092 0.962494 O\n0.558207 0.740575 0.714537 O\n",
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{
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"created_at": "2022-09-04T14:36:54.174428Z",
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"structure_string": "K2 Li1 Au1 F6\n1.0\n5.071814 -0.000000 2.928213\n1.690605 4.781752 2.928213\n-0.000000 -0.000000 5.856426\nK Li Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.742581 0.257419 0.257419 F\n0.257418 0.257419 0.742582 F\n0.257418 0.742581 0.742582 F\n0.257418 0.742581 0.257419 F\n0.742581 0.257419 0.742582 F\n0.742580 0.742581 0.257419 F\n",
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{
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"created_at": "2022-09-04T14:35:49.525423Z",
"updated_at": "2022-09-04T14:35:49.525442Z",
"structure_string": "K2 Li1 Au1 Cl6\n1.0\n6.097345 -0.000000 3.520304\n2.032448 5.748632 3.520304\n0.000000 -0.000000 7.040608\nK Li Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Au\n0.749149 0.250851 0.250851 Cl\n0.250852 0.250851 0.749148 Cl\n0.250852 0.749148 0.749148 Cl\n0.250852 0.749148 0.250851 Cl\n0.749149 0.250851 0.749148 Cl\n0.749149 0.749148 0.250850 Cl\n",
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"density_atomic": 0.04052141087131224,
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"formula_full": "K2 Li1 Au1 Cl6",
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{
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"created_at": "2022-09-04T14:36:37.296634Z",
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"structure_string": "K2 Li1 As1 F6\n1.0\n5.028486 -0.000000 2.903198\n1.676162 4.740902 2.903198\n-0.000000 -0.000000 5.806396\nK Li As F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 As\n0.748300 0.251700 0.251701 F\n0.251701 0.251700 0.748300 F\n0.251700 0.748299 0.748301 F\n0.251700 0.748299 0.251701 F\n0.748300 0.251700 0.748300 F\n0.748300 0.748299 0.251701 F\n",
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{
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"created_at": "2022-09-04T14:37:19.203699Z",
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"structure_string": "K4 Li2 Al2 P4\n1.0\n5.699446 0.000000 -2.187648\n-0.850306 5.651642 -2.215288\n0.004479 0.020183 8.529834\nK Li Al P\n4 2 2 4\ndirect\n0.824470 0.098666 0.648938 K\n0.175530 0.901334 0.351060 K\n0.675531 0.449727 0.351061 K\n0.324469 0.550272 0.648938 K\n0.250000 0.500000 -0.000000 Li\n0.750000 0.500000 -0.000000 Li\n0.250000 -0.000000 -0.000000 Al\n0.750001 -0.000000 -0.000000 Al\n0.910036 0.686999 0.820073 P\n0.410037 0.133074 0.820073 P\n0.589964 0.866926 0.179926 P\n0.089964 0.313000 0.179926 P\n",
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{
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"created_at": "2022-09-04T14:38:36.277967Z",
"updated_at": "2022-09-04T14:38:36.277987Z",
"structure_string": "K4 Li2 Al2 H12\n1.0\n5.504749 -0.000000 0.000000\n0.000000 5.504748 0.000000\n0.000000 0.000000 7.786821\nK Li Al H\n4 2 2 12\ndirect\n0.000000 0.500000 0.249986 K\n0.000000 0.500000 0.750014 K\n0.500000 0.000000 0.749986 K\n0.500000 0.000000 0.250014 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.270114 0.270153 0.500000 H\n0.729887 0.270153 0.500000 H\n0.729887 0.729848 0.500000 H\n0.270114 0.729848 0.500000 H\n0.000000 0.000000 0.770228 H\n0.229887 0.229848 0.000000 H\n0.770114 0.770153 0.000000 H\n0.229887 0.770153 0.000000 H\n0.500000 0.500000 0.729771 H\n0.770114 0.229848 0.000000 H\n0.000000 0.000000 0.229771 H\n0.500000 0.500000 0.270229 H\n",
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"structure_string": "K4 Li2 Al2 H12\n1.0\n5.330199 0.000944 7.991785\n2.421303 4.748507 7.991785\n0.001541 0.000944 9.606230\nK Li Al H\n4 2 2 12\ndirect\n0.714264 0.714263 0.714264 K\n0.872789 0.872789 0.872789 K\n0.127211 0.127210 0.127211 K\n0.285736 0.285736 0.285736 K\n0.592941 0.592940 0.592941 Li\n0.407059 0.407059 0.407059 Li\n0.500000 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.830823 0.393727 0.393727 H\n0.169177 0.606272 0.606272 H\n0.189779 0.189778 0.732799 H\n0.393727 0.830822 0.393727 H\n0.393728 0.393727 0.830822 H\n0.810222 0.267200 0.810222 H\n0.810221 0.810221 0.267201 H\n0.267201 0.810221 0.810222 H\n0.732799 0.189778 0.189778 H\n0.189778 0.732799 0.189778 H\n0.606273 0.169177 0.606273 H\n0.606272 0.606272 0.169177 H\n",
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"structure_string": "K4 Li2 Al2 F12\n1.0\n5.387175 0.001929 8.147248\n2.451439 4.797093 8.147248\n0.003151 0.001929 9.767256\nK Li Al F\n4 2 2 12\ndirect\n0.127722 0.127721 0.127721 K\n0.280927 0.280926 0.280927 K\n0.719074 0.719073 0.719074 K\n0.872279 0.872278 0.872279 K\n0.597348 0.597348 0.597348 Li\n0.402652 0.402652 0.402652 Li\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.271864 0.807080 0.807080 F\n0.610709 0.160049 0.610709 F\n0.610709 0.610708 0.160049 F\n0.160049 0.610708 0.610709 F\n0.192921 0.728136 0.192920 F\n0.389292 0.839950 0.389292 F\n0.389292 0.389291 0.839951 F\n0.807080 0.271864 0.807080 F\n0.807081 0.807080 0.271864 F\n0.192920 0.192920 0.728136 F\n0.728137 0.192920 0.192920 F\n0.839952 0.389291 0.389291 F\n",
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"structure_string": "K2 Li1 Al1 F6\n1.0\n4.813989 0.000000 2.779357\n1.604663 4.538672 2.779357\n0.000000 0.000000 5.558716\nK Li Al F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750002 K\n0.250000 0.250000 0.250001 K\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Al\n0.765977 0.234023 0.234024 F\n0.765977 0.234023 0.765978 F\n0.234023 0.765976 0.765978 F\n0.234023 0.234023 0.765978 F\n0.765977 0.765976 0.234024 F\n0.234023 0.765976 0.234024 F\n",
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}