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{
"id": "jvasp-116073",
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{
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{
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"structure_string": "Mg4 Mn1 Be1\n1.0\n0.000000 3.918175 3.918175\n3.918175 -0.000000 3.918175\n3.918175 3.918175 -0.000000\nMg Mn Be\n4 1 1\ndirect\n0.125542 0.624820 0.624820 Mg\n0.624820 0.624820 0.624820 Mg\n0.624820 0.125542 0.624820 Mg\n0.624820 0.624820 0.125542 Mg\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Be\n",
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{
"id": "jvasp-22578",
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"structure_string": "Si4 O8\n1.0\n4.977943 0.047834 -0.091091\n-2.417447 4.351799 -0.091091\n-0.042404 -0.072861 8.240652\nSi O\n4 8\ndirect\n0.204762 0.647392 0.288410 Si\n0.537204 0.307653 0.162144 Si\n0.647392 0.204761 0.788409 Si\n0.307653 0.537204 0.662143 Si\n0.558263 0.214890 0.975259 O\n0.431570 0.288042 0.670197 O\n0.583793 0.861942 0.734692 O\n0.214890 0.558263 0.475259 O\n0.861941 0.583793 0.234692 O\n0.440988 0.009102 0.271601 O\n0.288041 0.431570 0.170197 O\n0.009103 0.440988 0.771601 O\n",
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{
"id": "jvasp-94798",
"created_at": "2022-09-04T14:35:51.358041Z",
"updated_at": "2022-09-04T14:35:51.358072Z",
"structure_string": "Na1 Cl7\n1.0\n5.871739 0.000000 0.000000\n-0.000000 5.871739 -0.000000\n-0.000000 -0.000000 5.871739\nNa Cl\n1 7\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n0.000000 0.177290 0.500000 Cl\n0.000000 0.822711 0.500000 Cl\n0.500000 0.000000 0.177290 Cl\n0.500000 0.000000 0.822711 Cl\n0.177290 0.500000 0.000000 Cl\n0.822711 0.500000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:42.355013Z",
"updated_at": "2022-09-04T14:38:42.355045Z",
"structure_string": "Ca1 Cd1 O1\n1.0\n4.210691 0.000000 0.000000\n0.000000 4.210691 0.000000\n0.000000 0.000000 7.094899\nCa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.272300 Ca\n0.000000 0.000000 0.708942 Cd\n0.000000 0.000000 -0.000851 O\n",
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{
"id": "jvasp-57281",
"created_at": "2022-09-04T14:38:34.613237Z",
"updated_at": "2022-09-04T14:38:34.613259Z",
"structure_string": "Al3 P3 O12\n1.0\n2.691752 -4.662251 -0.000000\n2.691752 4.662251 0.000000\n-0.000000 0.000000 10.883574\nAl P O\n3 3 12\ndirect\n-0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.166667 Al\n0.500000 0.500000 0.666667 P\n-0.000000 0.500000 0.333333 P\n0.500000 -0.000000 0.000000 P\n0.705272 0.441967 0.933489 O\n0.441967 0.705272 0.399844 O\n0.736695 0.441967 0.066511 O\n0.441967 0.736695 0.266822 O\n0.294728 0.558032 0.933489 O\n0.263305 0.705272 0.600156 O\n0.263305 0.558032 0.066511 O\n0.705272 0.263305 0.733177 O\n0.736695 0.294727 0.600156 O\n0.558032 0.263305 0.266822 O\n0.558032 0.294728 0.399844 O\n0.294727 0.736695 0.733177 O\n",
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{
"id": "jvasp-12954",
"created_at": "2022-09-04T14:36:42.940774Z",
"updated_at": "2022-09-04T14:36:42.940809Z",
"structure_string": "Mg4 C6\n1.0\n3.717355 0.000000 0.000000\n0.000000 5.288684 -0.000000\n0.000000 -0.000000 6.429169\nMg C\n4 6\ndirect\n0.500001 0.892852 0.208291 Mg\n0.500001 0.107147 0.791709 Mg\n0.000000 0.392852 0.291709 Mg\n0.000000 0.607147 0.708291 Mg\n0.500001 0.706396 0.882704 C\n0.500001 0.293603 0.117296 C\n0.000000 0.206397 0.617296 C\n0.000000 0.793602 0.382704 C\n0.000000 0.000000 0.500000 C\n0.500001 0.500000 0.000000 C\n",
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{
"id": "jvasp-5278",
"created_at": "2022-09-04T14:36:09.328722Z",
"updated_at": "2022-09-04T14:36:09.328745Z",
"structure_string": "K2 H2 C2 O6\n1.0\n3.671858 0.103657 0.032307\n-0.233168 5.626930 0.042790\n-1.592225 -2.516817 7.195606\nK H C O\n2 2 2 6\ndirect\n0.295316 0.174598 0.330166 K\n0.704686 0.825402 0.669835 K\n0.458094 0.293676 0.972193 H\n0.541907 0.706325 0.027808 H\n0.137763 0.376796 0.764012 C\n0.862239 0.623205 0.235989 C\n0.105527 0.705747 0.384851 O\n0.894474 0.294254 0.615150 O\n0.271851 0.206965 0.847971 O\n0.728151 0.793035 0.152030 O\n0.265549 0.606060 0.840292 O\n0.734453 0.393941 0.159709 O\n",
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"formula_full": "K2 H2 C2 O6",
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{
"id": "jvasp-21263",
"created_at": "2022-09-04T14:38:10.948726Z",
"updated_at": "2022-09-04T14:38:10.948756Z",
"structure_string": "Na12 Mn2 S8\n1.0\n4.474089 -7.749349 0.000000\n4.474089 7.749349 -0.000000\n0.000000 -0.000000 6.917682\nNa Mn S\n12 2 8\ndirect\n0.531668 0.063336 0.367474 Na\n0.063336 0.531668 0.867474 Na\n0.936665 0.468332 0.367474 Na\n0.531668 0.468332 0.367474 Na\n0.854235 0.145765 0.036917 Na\n0.708470 0.854235 0.536917 Na\n0.468332 0.936665 0.867474 Na\n0.854235 0.708470 0.036917 Na\n0.291530 0.145765 0.036917 Na\n0.145765 0.854235 0.536917 Na\n0.468332 0.531668 0.867474 Na\n0.145765 0.291530 0.536917 Na\n0.666667 0.333333 0.750918 Mn\n0.333333 0.666667 0.250918 Mn\n0.813537 0.627074 0.641936 S\n0.186463 0.372926 0.141936 S\n0.627074 0.813537 0.141936 S\n0.333333 0.666667 0.597599 S\n0.666667 0.333333 0.097599 S\n0.186463 0.813537 0.141936 S\n0.813537 0.186463 0.641936 S\n0.372926 0.186463 0.641936 S\n",
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{
"id": "jvasp-97663",
"created_at": "2022-09-04T14:35:57.960144Z",
"updated_at": "2022-09-04T14:35:57.960153Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.131565 0.000000 0.000000\n0.000000 5.966691 -0.000000\n0.000000 -0.000000 7.296064\nH Cl O\n12 4 20\ndirect\n0.091725 0.611582 0.177203 H\n0.591726 0.888418 0.322797 H\n0.908275 0.111582 0.822797 H\n0.408275 0.388418 0.677202 H\n0.908275 0.388418 0.822797 H\n0.408275 0.111582 0.677202 H\n0.091725 0.888418 0.177203 H\n0.591726 0.611582 0.322797 H\n0.244538 0.750000 0.074505 H\n0.744539 0.750000 0.425494 H\n0.755462 0.250000 -0.074505 H\n0.255462 0.250000 0.574505 H\n0.565474 0.750000 0.815134 Cl\n0.065474 0.750000 0.684865 Cl\n0.934526 0.250000 0.315134 Cl\n0.434526 0.250000 0.184865 Cl\n0.060769 0.550351 0.805034 O\n0.665241 0.750000 0.322621 O\n0.165241 0.750000 0.177379 O\n0.439231 0.050351 0.305034 O\n-0.060769 0.449649 0.194965 O\n0.560769 0.550351 0.694965 O\n0.060769 0.949649 0.805034 O\n0.560769 0.949649 0.694965 O\n0.439231 0.449649 0.305034 O\n0.282791 0.250000 0.082743 O\n0.424081 0.750000 -0.062773 O\n-0.075920 0.750000 0.562773 O\n0.575920 0.250000 0.062773 O\n0.075920 0.250000 0.437227 O\n0.717209 0.750000 0.917256 O\n0.217209 0.750000 0.582743 O\n0.834760 0.250000 0.822620 O\n0.782792 0.250000 0.417256 O\n-0.060769 0.050351 0.194965 O\n0.334759 0.250000 0.677379 O\n",
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{
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"structure_string": "Sr2 Mg4\n1.0\n3.829774 -0.000000 -0.000000\n-1.914887 3.316682 -0.000000\n-0.000000 0.000000 16.025113\nSr Mg\n2 4\ndirect\n0.666666 0.333333 0.180277 Sr\n0.666666 0.333333 0.819723 Sr\n0.666666 0.333333 0.500000 Mg\n0.000000 0.000000 0.358303 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.641696 Mg\n",
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}
]
}