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{
"id": "jvasp-68973",
"created_at": "2022-09-04T14:36:03.427881Z",
"updated_at": "2022-09-04T14:36:03.427901Z",
"structure_string": "Ba1 Si2 Br1\n1.0\n-2.137920 2.137920 6.423515\n2.137920 -2.137920 6.423515\n2.137920 2.137920 -6.423515\nBa Si Br\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 Br\n",
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{
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"structure_string": "Sr3 P6 N8 O6\n1.0\n3.666821 -6.351121 0.000000\n3.666821 6.351121 -0.000000\n-0.000000 -0.000000 6.056683\nSr P N O\n3 6 8 6\ndirect\n0.666667 0.333333 0.383360 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.616640 Sr\n0.824399 0.602180 0.888929 P\n0.602180 0.777780 0.111070 P\n0.397820 0.222220 0.888929 P\n0.175600 0.397820 0.111070 P\n0.777780 0.175600 0.888929 P\n0.222220 0.824399 0.111070 P\n0.027756 0.330311 0.893966 N\n0.666667 0.333333 0.918733 N\n0.333333 0.666667 0.081266 N\n0.302555 0.972244 0.893966 N\n0.697445 0.027756 0.106033 N\n0.669689 0.697445 0.893966 N\n0.330311 0.302555 0.106033 N\n0.972244 0.669689 0.106033 N\n0.927453 0.636423 0.660149 O\n0.072546 0.363577 0.339851 O\n0.363577 0.291031 0.660149 O\n0.291030 0.927453 0.339851 O\n0.708969 0.072546 0.660149 O\n0.636423 0.708969 0.339851 O\n",
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"formula_full": "Sr3 P6 N8 O6",
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{
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"updated_at": "2022-09-04T14:38:33.984998Z",
"structure_string": "Rb1 F1\n1.0\n3.454309 0.000000 1.994346\n1.151436 3.256753 1.994346\n-0.000000 -0.000000 3.988693\nRb F\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.499999 0.500000 F\n",
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{
"id": "jvasp-117606",
"created_at": "2022-09-04T14:38:46.483220Z",
"updated_at": "2022-09-04T14:38:46.483252Z",
"structure_string": "Ba1 Mg1 Te1\n1.0\n3.595406 0.000000 0.000000\n0.000000 3.595406 -0.000000\n-0.000000 0.000000 9.610380\nBa Mg Te\n1 1 1\ndirect\n0.000000 0.000000 0.336127 Ba\n0.000000 0.000000 0.702781 Mg\n0.000000 0.000000 -0.006658 Te\n",
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{
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"created_at": "2022-09-04T14:36:06.111084Z",
"updated_at": "2022-09-04T14:36:06.111111Z",
"structure_string": "K3 Cu3 As2\n1.0\n5.352376 0.015647 5.389036\n2.231543 4.865017 5.389036\n0.024312 0.015647 7.595331\nK Cu As\n3 3 2\ndirect\n0.089122 0.089123 0.089122 K\n0.910877 0.910879 0.910878 K\n0.500000 0.500001 0.500000 K\n0.500000 0.500001 0.000000 Cu\n-0.000001 0.500001 0.500000 Cu\n0.500000 0.000001 0.500000 Cu\n0.749262 0.749264 0.749263 As\n0.250737 0.250738 0.250737 As\n",
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{
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"updated_at": "2022-09-04T14:36:15.811306Z",
"structure_string": "Na4 Co4 P4 O16\n1.0\n5.017930 0.000000 0.000000\n0.000000 6.795420 0.000000\n0.000000 0.000000 8.912388\nNa Co P O\n4 4 4 16\ndirect\n0.029728 0.750000 0.647195 Na\n0.970272 0.250000 0.352805 Na\n0.529728 0.250000 0.852805 Na\n0.470272 0.750000 0.147195 Na\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.536007 0.750000 0.823315 P\n0.963993 0.750000 0.323315 P\n0.463993 0.250000 0.176685 P\n0.036007 0.250000 0.676685 P\n0.255709 0.750000 0.382728 O\n0.755709 0.250000 0.117273 O\n0.182215 0.435897 0.620668 O\n0.550873 0.750000 0.647093 O\n0.050873 0.250000 0.852908 O\n0.449127 0.250000 0.352907 O\n0.949127 0.750000 0.147093 O\n0.682215 0.935897 0.879333 O\n0.182215 0.064103 0.620668 O\n0.317785 0.435897 0.120668 O\n0.817785 0.564103 0.379332 O\n0.317785 0.064103 0.120668 O\n0.817785 0.935897 0.379332 O\n0.682215 0.564103 0.879333 O\n0.244291 0.750000 0.882728 O\n0.744291 0.250000 0.617273 O\n",
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{
"id": "jvasp-81237",
"created_at": "2022-09-04T14:37:11.229962Z",
"updated_at": "2022-09-04T14:37:11.229991Z",
"structure_string": "Ca2 Mg1 Hg1\n1.0\n-16.451969 -3.051958 -7.006635\n-9.980688 -1.808939 -1.302607\n-8.193374 1.192390 -2.721275\nCa Mg Hg\n2 1 1\ndirect\n0.664936 0.170446 0.829553 Ca\n0.335065 0.829553 0.170446 Ca\n0.000000 0.000000 0.000000 Mg\n0.500001 -0.000001 -0.000000 Hg\n",
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{
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"updated_at": "2022-09-04T14:37:04.204209Z",
"structure_string": "V6 O3 F15\n1.0\n-4.539945 0.000014 0.000164\n-0.000025 -8.351762 -0.000225\n0.000449 4.176046 7.233274\nV O F\n6 3 15\ndirect\n0.011542 0.321604 0.993366 V\n0.483873 0.006656 0.678409 V\n0.483875 0.671756 0.993343 V\n0.011542 0.006640 0.328254 V\n0.011547 0.671755 0.678405 V\n0.483876 0.321589 0.328244 V\n0.247700 0.125932 0.874060 O\n0.247703 0.748131 0.874070 O\n0.247702 0.125935 0.251878 O\n0.747694 0.562870 0.781424 F\n0.247723 0.100950 0.550478 F\n0.247716 0.449523 0.899057 F\n0.747694 0.218583 0.781458 F\n0.747710 0.883419 0.116594 F\n0.747738 0.543338 0.086641 F\n0.247715 0.781951 0.563912 F\n0.247723 0.436091 0.218053 F\n0.747702 0.233170 0.116586 F\n0.747740 0.913361 0.456697 F\n0.747689 0.218555 0.437131 F\n0.747746 0.543308 0.456675 F\n0.747695 0.883417 0.766829 F\n0.247730 0.781947 0.218039 F\n0.247730 0.449524 0.550474 F\n",
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"structure_string": "V4 Zn4 O14\n1.0\n5.441950 -0.006475 -1.351069\n-1.011799 5.347067 -1.351069\n0.019908 0.024000 10.163433\nV Zn O\n4 4 14\ndirect\n0.793685 0.798327 0.794655 V\n0.201675 0.206316 0.705344 V\n0.206316 0.201675 0.205345 V\n0.798326 0.793686 0.294655 V\n0.725090 0.370009 0.480976 Zn\n0.274911 0.629992 0.519024 Zn\n0.370009 0.725091 0.980976 Zn\n0.629992 0.274912 0.019024 Zn\n0.577706 0.620762 0.138663 O\n0.379239 0.422295 0.361337 O\n0.422295 0.379240 0.861337 O\n0.676821 0.012132 0.389710 O\n0.946691 0.053311 0.750000 O\n0.597994 0.909881 0.893743 O\n0.090121 0.402007 0.606256 O\n0.402007 0.090121 0.106257 O\n0.909880 0.597994 0.393743 O\n0.012132 0.676821 0.889710 O\n0.323179 0.987869 0.610290 O\n0.987869 0.323180 0.110290 O\n0.053310 0.946691 0.250000 O\n0.620761 0.577707 0.638663 O\n",
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{
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"created_at": "2022-09-04T14:38:35.623828Z",
"updated_at": "2022-09-04T14:38:35.623850Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n1.135456 -3.603097 -0.000000\n5.322502 3.657756 -0.000000\n-0.000000 -0.000000 9.385772\nCa Sn S\n2 2 6\ndirect\n0.746531 0.493063 0.750000 Ca\n0.253469 0.506938 0.250000 Ca\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.081160 0.162320 0.750000 S\n0.918840 0.837680 0.250000 S\n0.357050 0.714100 0.548575 S\n0.642950 0.285900 0.451425 S\n0.357050 0.714100 0.951425 S\n0.642950 0.285900 0.048575 S\n",
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{
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"structure_string": "Ca2 Zn2 F8\n1.0\n-5.303908 0.000189 -0.000599\n-0.000647 -5.304103 -0.000672\n2.651638 2.651266 5.540524\nCa Zn F\n2 2 8\ndirect\n0.624991 0.374989 0.749984 Ca\n0.375009 0.625009 0.250015 Ca\n0.125032 0.875019 0.750053 Zn\n0.874968 0.124980 0.249946 Zn\n0.392861 0.226081 0.928003 F\n0.226076 0.035198 0.427976 F\n0.701900 0.392786 0.427981 F\n0.035147 0.701907 0.927993 F\n0.964854 0.298091 0.072006 F\n0.298100 0.607212 0.572018 F\n0.773924 0.964800 0.572023 F\n0.607139 0.773917 0.071997 F\n",
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{
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"created_at": "2022-09-04T14:36:13.388540Z",
"updated_at": "2022-09-04T14:36:13.388570Z",
"structure_string": "Se1 Br6 N2\n1.0\n-5.011907 -5.011907 0.000000\n-5.011907 0.000000 -5.011907\n-0.000000 -5.011907 -5.011907\nSe Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Se\n0.743537 0.256463 0.256463 Br\n0.743537 0.256463 0.743537 Br\n0.743537 0.743537 0.256463 Br\n0.256463 0.743537 0.743537 Br\n0.256463 0.743537 0.256463 Br\n0.256463 0.256463 0.743537 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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}
]
}