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{
"id": "jvasp-38315",
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"updated_at": "2022-09-04T14:37:46.791507Z",
"structure_string": "Li1 Ca1 O3\n1.0\n3.737378 0.000000 -0.000000\n0.000000 3.737378 -0.000000\n0.000000 0.000000 3.737378\nLi Ca O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Rb2 Be6 Zn2 F18\n1.0\n3.366955 -5.831736 -0.000000\n3.366955 5.831736 -0.000000\n0.000000 0.000000 9.762434\nRb Be Zn F\n2 6 2 18\ndirect\n0.666666 0.333332 0.500000 Rb\n0.666666 0.333332 0.000000 Rb\n0.212377 0.277023 0.750000 Be\n0.212376 0.935353 0.250000 Be\n0.722975 0.787622 0.250000 Be\n0.064646 0.277023 0.250000 Be\n0.064645 0.787622 0.750000 Be\n0.722975 0.935353 0.750000 Be\n0.333332 0.666666 0.000000 Zn\n0.333332 0.666666 0.500000 Zn\n0.084757 0.414407 0.118679 F\n0.585591 0.915242 0.881321 F\n0.084757 0.670349 0.881321 F\n0.084757 0.670349 0.618679 F\n0.585591 0.915242 0.618679 F\n0.329650 0.414407 0.881321 F\n0.242115 0.187001 0.250000 F\n0.944887 0.757884 0.250000 F\n0.329650 0.414407 0.618679 F\n0.812997 0.757884 0.750000 F\n0.944887 0.187001 0.750000 F\n0.242115 0.055112 0.750000 F\n0.585591 0.670349 0.118679 F\n0.329649 0.915242 0.381321 F\n0.585591 0.670349 0.381321 F\n0.084757 0.414407 0.381321 F\n0.812998 0.055111 0.250000 F\n0.329649 0.915242 0.118679 F\n",
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{
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"structure_string": "Li2 Mn1 F4\n1.0\n3.230721 0.004347 8.115350\n1.559517 2.829397 8.115350\n0.007349 0.004347 8.734782\nLi Mn F\n2 1 4\ndirect\n0.204122 0.204123 0.204122 Li\n0.795878 0.795880 0.795876 Li\n0.000000 0.000000 0.000000 Mn\n0.125928 0.125928 0.125928 F\n0.628703 0.628705 0.628702 F\n0.371296 0.371298 0.371296 F\n0.874072 0.874075 0.874070 F\n",
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{
"id": "jvasp-119549",
"created_at": "2022-09-04T14:38:35.386989Z",
"updated_at": "2022-09-04T14:38:35.387016Z",
"structure_string": "Li1 V1 Cr1 P4 O14\n1.0\n4.576259 -0.005905 -1.461799\n-0.104196 7.938473 -0.034037\n-0.052974 -0.009015 6.939679\nLi V Cr P O\n1 1 1 4 14\ndirect\n0.838735 0.369713 0.321587 Li\n0.221380 0.507757 0.730432 V\n0.785987 0.999245 0.272798 Cr\n0.402046 0.176759 0.515347 P\n0.204836 0.780934 0.090522 P\n0.779552 0.277403 0.908480 P\n0.606330 0.686465 0.482326 P\n0.837647 0.547972 0.515207 O\n0.730977 0.862422 0.488354 O\n0.616495 0.188586 0.391983 O\n0.394424 0.936506 0.093845 O\n0.390582 0.645365 0.257974 O\n0.588490 0.141698 0.749262 O\n0.258567 0.350387 0.514494 O\n0.424527 0.670969 0.628423 O\n0.880139 0.190796 0.112420 O\n0.181070 0.034508 0.458399 O\n0.130164 0.676789 0.894026 O\n0.037085 0.330703 0.835669 O\n0.590575 0.430396 0.921187 O\n0.924373 0.816601 0.140096 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:38:43.969086Z",
"updated_at": "2022-09-04T14:38:43.969115Z",
"structure_string": "Ca9 Fe2 N8\n1.0\n8.894027 0.013172 3.264701\n1.355060 4.732055 0.000000\n-0.012030 0.003445 7.627374\nCa Fe N\n9 2 8\ndirect\n0.000000 0.499999 0.500000 Ca\n0.074431 0.962782 0.764999 Ca\n0.925570 0.037215 0.235000 Ca\n0.654012 0.672993 0.449121 Ca\n0.345989 0.327005 0.550878 Ca\n0.822526 0.588736 0.982794 Ca\n0.177475 0.411262 0.017205 Ca\n0.611811 0.194093 0.812565 Ca\n0.388190 0.805904 0.187434 Ca\n0.614178 0.192911 0.200934 Fe\n0.385823 0.807087 0.799065 Fe\n0.216853 0.891573 0.000699 N\n0.783148 0.108426 -0.000699 N\n0.362847 0.818575 0.583295 N\n0.637153 0.181423 0.416705 N\n0.572172 0.713913 0.812997 N\n0.427829 0.286084 0.187002 N\n0.074922 0.462538 0.755355 N\n0.925079 0.537460 0.244644 N\n",
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"created_at": "2022-09-04T14:38:52.359435Z",
"updated_at": "2022-09-04T14:38:52.359449Z",
"structure_string": "Sr1 Zn1 F1\n1.0\n4.166366 -0.112073 0.000000\n0.161750 5.910687 0.000000\n0.000000 0.000000 3.834845\nSr Zn F\n1 1 1\ndirect\n0.420094 -0.011687 0.000000 Sr\n-0.080277 0.422867 0.000000 Zn\n-0.079769 -0.188047 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:36:11.414632Z",
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"structure_string": "Li1 V1 F6\n1.0\n5.067894 -0.267499 -1.399697\n2.200166 4.183188 -1.461538\n-1.083594 -0.641242 4.771042\nLi V F\n1 1 6\ndirect\n0.520402 0.520401 0.526093 Li\n0.020408 0.020390 0.026090 V\n0.253879 0.255259 0.381970 F\n0.255469 0.664600 0.140347 F\n0.256987 0.908896 0.791470 F\n0.783839 0.131932 0.260736 F\n0.785336 0.376152 0.911800 F\n0.786935 0.785505 0.670233 F\n",
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"volume": 94.41064962614095,
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"formula_full": "Li1 V1 F6",
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{
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"created_at": "2022-09-04T14:37:53.054578Z",
"updated_at": "2022-09-04T14:37:53.054609Z",
"structure_string": "P2\n1.0\n3.593307 0.000000 1.442255\n1.509719 2.990425 1.436011\n0.658790 0.452191 3.556057\nP\n2\ndirect\n0.192438 0.249999 0.750001 P\n0.807565 0.749999 0.249999 P\n",
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{
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"created_at": "2022-09-04T14:35:45.143290Z",
"updated_at": "2022-09-04T14:35:45.143315Z",
"structure_string": "P2\n1.0\n3.593306 0.000000 1.442255\n1.509719 2.990425 1.436010\n0.658790 0.452191 3.556056\nP\n2\ndirect\n0.192438 0.249999 0.750001 P\n0.807565 0.749999 0.249999 P\n",
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{
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"created_at": "2022-09-04T14:37:29.597464Z",
"updated_at": "2022-09-04T14:37:29.597489Z",
"structure_string": "Ca2 H3 Br1\n1.0\n1.945003 -3.368845 -0.000000\n1.945003 3.368845 0.000000\n0.000000 -0.000000 6.834125\nCa H Br\n2 3 1\ndirect\n0.666666 0.333332 0.185957 Ca\n0.333332 0.666666 0.814042 Ca\n0.666666 0.333332 0.849876 H\n0.333332 0.666666 0.150123 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 Br\n",
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{
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"created_at": "2022-09-04T14:36:44.765379Z",
"updated_at": "2022-09-04T14:36:44.765400Z",
"structure_string": "Na4 Cd2 Cl8\n1.0\n3.938222 0.000000 0.000000\n0.000000 7.018854 0.000000\n0.000000 0.000000 11.928281\nNa Cd Cl\n4 2 8\ndirect\n0.500000 0.089765 0.681984 Na\n0.500000 0.910234 0.318016 Na\n0.500000 0.410235 0.181984 Na\n0.500000 0.589765 0.818016 Na\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.750736 0.543535 Cl\n0.500000 0.249264 0.456465 Cl\n0.000000 0.124783 0.205774 Cl\n0.000000 0.875216 0.794226 Cl\n0.000000 0.624783 0.294226 Cl\n0.000000 0.375217 0.705774 Cl\n0.500000 0.250736 0.956464 Cl\n0.500000 0.749263 0.043535 Cl\n",
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{
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"structure_string": "Ca12 Ga2 N10\n1.0\n3.149582 -5.455237 0.000000\n3.149582 5.455237 -0.000000\n-0.000000 -0.000000 12.152701\nCa Ga N\n12 2 10\ndirect\n-0.000000 0.591347 0.122652 Ca\n0.408653 0.408653 0.122652 Ca\n0.591347 -0.000000 0.377348 Ca\n-0.000000 0.591347 0.377348 Ca\n-0.000000 0.408653 0.877348 Ca\n0.408653 -0.000000 0.877348 Ca\n-0.000000 0.408653 0.622652 Ca\n0.408653 -0.000000 0.622652 Ca\n0.408653 0.408653 0.377348 Ca\n0.591346 0.591346 0.877348 Ca\n0.591347 -0.000000 0.122652 Ca\n0.591346 0.591346 0.622652 Ca\n0.000000 0.000000 0.250000 Ga\n0.000000 0.000000 0.750000 Ga\n0.701559 -0.000000 0.750000 N\n0.666667 0.333333 0.000000 N\n0.333333 0.666667 0.500000 N\n0.333333 0.666667 0.000000 N\n0.298441 -0.000000 0.250000 N\n0.298441 0.298441 0.750000 N\n0.701559 0.701559 0.250000 N\n-0.000000 0.701559 0.750000 N\n0.666667 0.333333 0.500000 N\n-0.000000 0.298441 0.250000 N\n",
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}