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{
"id": "jvasp-10254",
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{
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{
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"updated_at": "2022-09-04T14:37:11.952946Z",
"structure_string": "Ba2 Nd4 Se8\n1.0\n7.956276 -0.012218 -0.000000\n-2.663611 7.497176 -0.000000\n-2.646331 -3.742479 6.503326\nBa Nd Se\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Ba\n0.875001 0.125000 0.750000 Ba\n0.125964 0.750000 0.875964 Nd\n0.250000 0.625964 0.375964 Nd\n0.374037 0.250000 0.624037 Nd\n0.750001 0.874037 0.124036 Nd\n0.015777 0.856027 0.496244 Se\n0.019534 0.359783 0.503757 Se\n0.480467 0.984224 0.340250 Se\n0.143974 0.140217 0.159750 Se\n0.356027 0.515777 0.996244 Se\n0.640218 0.643974 0.659751 Se\n0.484225 0.980467 0.840250 Se\n0.859783 0.519534 0.003756 Se\n",
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{
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"created_at": "2022-09-04T14:35:42.206070Z",
"updated_at": "2022-09-04T14:35:42.206099Z",
"structure_string": "Ba2 Nd4 Ti6 O20\n1.0\n3.887742 -0.000000 -0.533743\n0.000000 7.684162 0.000000\n-0.020746 0.000000 14.274762\nBa Nd Ti O\n2 4 6 20\ndirect\n0.256579 0.750000 0.513159 Ba\n0.743420 0.250000 0.486841 Ba\n0.427313 0.750000 0.854627 Nd\n0.419783 0.250000 0.839568 Nd\n0.580216 0.750000 0.160432 Nd\n0.572686 0.250000 0.145373 Nd\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.853883 0.994502 0.707768 Ti\n0.146115 0.005498 0.292232 Ti\n0.146115 0.494502 0.292232 Ti\n0.853883 0.505498 0.707768 Ti\n0.147296 0.750000 0.294592 O\n0.852702 0.250000 0.705408 O\n0.877594 0.750000 0.755191 O\n0.122405 0.250000 0.244809 O\n0.369130 0.507684 0.738261 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.933206 0.054123 0.866414 O\n0.066792 0.945877 0.133586 O\n0.066792 0.554123 0.133586 O\n0.933206 0.445877 0.866414 O\n0.792404 0.951496 0.584812 O\n0.207594 0.048504 0.415188 O\n0.207594 0.451496 0.415188 O\n0.792404 0.548503 0.584812 O\n0.369130 0.992316 0.738261 O\n0.630869 0.007684 0.261739 O\n0.630869 0.492316 0.261739 O\n0.017027 0.250000 0.034054 O\n0.982972 0.750000 0.965946 O\n",
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{
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"created_at": "2022-09-04T14:37:18.416889Z",
"updated_at": "2022-09-04T14:37:18.416913Z",
"structure_string": "Ba2 Nd4 Zn2 O10\n1.0\n6.067651 -0.000000 -3.065730\n-1.548986 5.866603 -3.065730\n0.008830 0.011464 7.554845\nBa Nd Zn O\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.749999 0.500000 Ba\n0.327361 0.172638 -0.000000 Nd\n0.172638 0.672638 -0.000000 Nd\n0.672638 0.827361 -0.000000 Nd\n0.827361 0.327361 -0.000000 Nd\n0.249999 0.749999 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 -0.000000 O\n0.775430 0.275430 0.261342 O\n0.275429 0.485911 0.261342 O\n0.985911 0.775429 0.261341 O\n0.724570 0.514087 0.738658 O\n0.014088 0.224570 0.738658 O\n0.224569 0.724569 0.738658 O\n0.514088 0.014088 0.738658 O\n0.485911 0.985911 0.261341 O\n0.000000 0.000000 0.000000 O\n",
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},
{
"id": "jvasp-11441",
"created_at": "2022-09-04T14:37:16.550005Z",
"updated_at": "2022-09-04T14:37:16.550020Z",
"structure_string": "Ba2 Nd4 Zn2 S10\n1.0\n7.054693 0.000000 -3.520565\n-1.756899 6.832423 -3.520565\n-0.001661 -0.002142 8.825236\nBa Nd Zn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.750000 0.750000 0.499999 Ba\n0.338746 0.161254 -0.000000 Nd\n0.161254 0.661254 -0.000001 Nd\n0.661253 0.838746 -0.000001 Nd\n0.838746 0.338746 -0.000001 Nd\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 -0.000001 S\n0.484204 0.984204 0.268323 S\n0.984204 0.784118 0.268322 S\n0.284118 0.484204 0.268323 S\n0.015796 0.215882 0.731677 S\n0.715881 0.515796 0.731676 S\n0.515796 0.015796 0.731677 S\n0.215881 0.715882 0.731676 S\n0.784118 0.284118 0.268323 S\n0.000000 0.000000 0.000000 S\n",
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{
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"structure_string": "Ba2 Ni18 As10\n1.0\n6.792735 -0.000000 0.000000\n-3.396368 5.882682 -0.000000\n0.000000 -0.000000 11.343678\nBa Ni As\n2 18 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.791301 0.208699 0.750000 Ni\n0.582600 0.791300 0.250000 Ni\n0.208699 0.417399 0.250000 Ni\n0.791301 0.582600 0.750000 Ni\n0.417400 0.208699 0.750000 Ni\n0.535343 0.070685 0.393605 Ni\n0.929315 0.464658 0.393605 Ni\n0.535342 0.464658 0.393605 Ni\n0.208699 0.791300 0.250000 Ni\n0.464658 0.535342 0.606395 Ni\n0.464658 0.929314 0.893605 Ni\n0.070685 0.535342 0.893605 Ni\n0.929315 0.464658 0.106395 Ni\n0.535343 0.070685 0.106395 Ni\n0.464658 0.929314 0.606395 Ni\n0.070685 0.535342 0.606395 Ni\n0.535342 0.464658 0.106395 Ni\n0.464658 0.535342 0.893605 Ni\n0.666667 0.333333 0.560407 As\n0.333333 0.666667 0.060407 As\n0.172323 0.827677 0.750000 As\n0.344647 0.172323 0.250000 As\n0.827677 0.172323 0.250000 As\n0.172323 0.344647 0.750000 As\n0.655353 0.827677 0.750000 As\n0.666667 0.333333 0.939593 As\n0.827677 0.655353 0.250000 As\n0.333333 0.666667 0.439593 As\n",
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{
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"structure_string": "Ba2 Ni18 P10\n1.0\n6.556142 0.000000 0.000000\n-3.278071 5.677786 -0.000000\n-0.000000 0.000000 10.945241\nBa Ni P\n2 18 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.464463 0.535537 0.607279 Ni\n0.535537 0.464463 0.107279 Ni\n0.535537 0.071074 0.392721 Ni\n0.464463 0.535537 0.892721 Ni\n0.071074 0.535537 0.892721 Ni\n0.928926 0.464463 0.392721 Ni\n0.535537 0.464463 0.392721 Ni\n0.464463 0.928927 0.607279 Ni\n0.797303 0.594607 0.750000 Ni\n0.202697 0.797304 0.250000 Ni\n0.594607 0.797304 0.250000 Ni\n0.405393 0.202697 0.750000 Ni\n0.797303 0.202697 0.750000 Ni\n0.202697 0.405393 0.250000 Ni\n0.535537 0.071074 0.107279 Ni\n0.928926 0.464463 0.107279 Ni\n0.464463 0.928927 0.892721 Ni\n0.071074 0.535537 0.607279 Ni\n0.649708 0.824855 0.750000 P\n0.350292 0.175146 0.250000 P\n0.333333 0.666668 0.060948 P\n0.666667 0.333333 0.560948 P\n0.666667 0.333333 0.939052 P\n0.333333 0.666668 0.439052 P\n0.824854 0.649709 0.250000 P\n0.175146 0.824855 0.750000 P\n0.824854 0.175146 0.250000 P\n0.175146 0.350292 0.750000 P\n",
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"structure_string": "Ba2 Ni1 F6\n1.0\n3.991737 0.000000 -0.976681\n-0.238970 3.984578 -0.976681\n-0.016162 -0.017160 8.579494\nBa Ni F\n2 1 6\ndirect\n0.850816 0.850815 0.701631 Ba\n0.149185 0.149185 0.298369 Ba\n0.500000 0.500000 0.000000 Ni\n0.620570 0.620570 0.241139 F\n0.379431 0.379430 0.758860 F\n0.000000 0.500000 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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},
{
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},
{
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"updated_at": "2022-09-04T14:37:08.807300Z",
"structure_string": "Ba2 Ni1 Mo1 O6\n1.0\n4.961672 -0.000005 2.864616\n1.653879 4.677918 2.864628\n-0.000016 -0.000011 5.729251\nBa Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.249999 0.250000 0.249999 Ba\n0.000005 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 Mo\n0.260029 0.260031 0.739969 O\n0.739967 0.260032 0.739970 O\n0.739967 0.260031 0.260031 O\n0.739967 0.739970 0.260032 O\n0.260030 0.739969 0.260031 O\n0.260030 0.739970 0.739969 O\n",
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{
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"created_at": "2022-09-04T14:35:44.917008Z",
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"structure_string": "Ba2 Ni1 N2\n1.0\n3.932199 0.000000 -1.210012\n-0.371627 3.915405 -1.207680\n0.014478 0.011635 7.041326\nBa Ni N\n2 1 2\ndirect\n0.855042 0.855042 0.210085 Ba\n0.144957 0.144956 0.789916 Ba\n0.500000 0.499999 0.500000 Ni\n0.362792 0.362792 0.225587 N\n0.637207 0.637206 0.774413 N\n",
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}
]
}