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{
"id": "jvasp-23395",
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"structure_string": "Pd8 S8\n1.0\n6.506951 0.000000 0.000000\n-0.000000 6.506951 0.000000\n0.000000 0.000000 6.675936\nPd S\n8 8\ndirect\n0.530780 0.741903 0.000000 Pd\n0.258097 0.530780 0.500000 Pd\n0.741903 0.469220 0.500000 Pd\n0.469220 0.258097 0.000000 Pd\n0.000000 0.000000 0.750000 Pd\n0.000000 0.000000 0.250000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.193623 0.307519 0.771395 S\n0.692481 0.193623 0.271394 S\n0.307519 0.806377 0.271394 S\n0.806377 0.692481 0.771395 S\n0.806377 0.692481 0.228606 S\n0.307519 0.806377 0.728606 S\n0.692481 0.193623 0.728606 S\n0.193623 0.307519 0.228606 S\n",
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{
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{
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"structure_string": "Ti4 Zn4 O8\n1.0\n2.896350 0.159485 -0.004940\n-1.021061 7.500881 -0.126574\n-1.507202 -1.015844 8.328503\nTi Zn O\n4 4 8\ndirect\n0.102832 0.708234 0.587557 Ti\n0.358599 0.565968 0.252425 Ti\n0.665478 0.454117 0.775777 Ti\n0.921290 0.311842 0.440651 Ti\n0.795720 0.937213 0.296888 Zn\n0.228276 0.082864 0.731294 Zn\n0.383632 0.157744 0.066999 Zn\n0.640215 0.862359 0.961204 Zn\n0.499183 0.258383 0.597803 O\n0.226625 0.638821 0.815778 O\n0.797471 0.381262 0.212428 O\n0.524946 0.761685 0.430406 O\n0.696351 0.897395 0.713941 O\n0.837994 0.710119 0.152148 O\n0.327689 0.122681 0.314263 O\n0.186097 0.309975 0.876054 O\n",
"nsites": 16,
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{
"id": "jvasp-88840",
"created_at": "2022-09-04T14:37:41.475246Z",
"updated_at": "2022-09-04T14:37:41.475272Z",
"structure_string": "Cu4 Sb4 Se8\n1.0\n4.034973 0.000000 0.000000\n0.000000 6.442853 0.000000\n0.000000 0.000000 15.081942\nCu Sb Se\n4 4 8\ndirect\n0.749999 0.749287 0.171796 Cu\n0.250000 0.250713 0.828204 Cu\n0.749999 0.249287 0.328204 Cu\n0.250000 0.750712 0.671796 Cu\n0.749999 0.771616 0.941377 Sb\n0.250000 0.728383 0.441377 Sb\n0.749999 0.271616 0.558623 Sb\n0.250000 0.228384 0.058623 Sb\n0.250000 0.375659 0.675582 Se\n0.749999 0.372056 0.903257 Se\n0.749999 0.624341 0.324418 Se\n0.250000 0.875658 0.824418 Se\n0.749999 0.872055 0.596743 Se\n0.250000 0.627944 0.096743 Se\n0.250000 0.127944 0.403257 Se\n0.749999 0.124341 0.175582 Se\n",
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{
"id": "jvasp-35222",
"created_at": "2022-09-04T14:37:36.693459Z",
"updated_at": "2022-09-04T14:37:36.693496Z",
"structure_string": "P12 Pd4\n1.0\n-4.129390 -4.129390 4.129390\n-4.129390 4.129390 -4.129390\n4.129390 -4.129390 -4.129390\nP Pd\n12 4\ndirect\n0.865029 0.636712 0.501741 P\n0.134971 0.363288 0.498259 P\n0.134971 0.636712 0.771683 P\n0.865029 0.363288 0.228317 P\n0.636712 0.501741 0.865029 P\n0.363288 0.498259 0.134971 P\n0.636712 0.771683 0.134971 P\n0.363288 0.228317 0.865029 P\n0.501741 0.865029 0.636712 P\n0.498259 0.134971 0.363288 P\n0.771683 0.134971 0.636712 P\n0.228317 0.865029 0.363288 P\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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{
"id": "jvasp-23148",
"created_at": "2022-09-04T14:37:41.605584Z",
"updated_at": "2022-09-04T14:37:41.605609Z",
"structure_string": "Ba6 Sn10\n1.0\n7.167747 0.002738 -0.000000\n-1.423495 7.024975 0.000000\n-0.000000 -0.000000 11.229393\nBa Sn\n6 10\ndirect\n0.706351 0.293649 0.500000 Ba\n0.293648 0.706351 0.000000 Ba\n0.293648 0.706351 0.500000 Ba\n0.706351 0.293649 0.000000 Ba\n0.853696 0.853696 0.750000 Ba\n0.146304 0.146304 0.250000 Ba\n0.804785 0.804785 0.440315 Sn\n0.195215 0.195215 0.940315 Sn\n0.804785 0.804785 0.059684 Sn\n0.195215 0.195215 0.559684 Sn\n0.020150 0.407677 0.750000 Sn\n0.979850 0.592323 0.250000 Sn\n0.547251 0.547251 0.250000 Sn\n0.452749 0.452748 0.750000 Sn\n0.592323 0.979850 0.250000 Sn\n0.407677 0.020150 0.750000 Sn\n",
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{
"id": "jvasp-23840",
"created_at": "2022-09-04T14:37:41.668732Z",
"updated_at": "2022-09-04T14:37:41.668757Z",
"structure_string": "Ta4 Ni4 B8\n1.0\n3.109897 -0.000000 0.000000\n-0.000000 6.071697 0.000000\n0.000000 0.000000 8.210696\nTa Ni B\n4 4 8\ndirect\n0.250000 0.631874 0.633155 Ta\n0.750001 0.368126 0.366845 Ta\n0.250000 0.131874 0.866846 Ta\n0.750001 0.868126 0.133155 Ta\n0.750001 0.995897 0.616934 Ni\n0.750001 0.495897 0.883067 Ni\n0.250000 0.004104 0.383066 Ni\n0.250000 0.504104 0.116934 Ni\n0.250000 0.673993 0.333897 B\n0.750001 0.326007 0.666104 B\n0.250000 0.173993 0.166104 B\n0.750001 0.826007 0.833897 B\n0.250000 0.743529 0.924224 B\n0.750001 0.756472 0.424224 B\n0.250000 0.243528 0.575776 B\n0.750001 0.256472 0.075776 B\n",
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{
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"created_at": "2022-09-04T14:37:50.931664Z",
"updated_at": "2022-09-04T14:37:50.931689Z",
"structure_string": "Fe12 B4\n1.0\n4.379969 -0.001923 -0.000574\n0.002433 5.352550 -0.000664\n0.000852 0.000804 6.616020\nFe B\n12 4\ndirect\n0.121533 0.019808 0.250001 Fe\n0.150559 0.322748 0.945491 Fe\n0.150562 0.322747 0.554509 Fe\n0.349437 0.822745 0.945492 Fe\n0.349438 0.822742 0.554509 Fe\n0.378468 0.519807 0.250002 Fe\n0.621533 0.480190 0.750000 Fe\n0.650558 0.177258 0.445494 Fe\n0.650557 0.177256 0.054508 Fe\n0.849441 0.677255 0.445494 Fe\n0.849444 0.677255 0.054508 Fe\n0.878464 0.980190 0.750001 Fe\n0.074628 0.616405 0.750001 B\n0.425371 0.116408 0.750000 B\n0.574632 0.883590 0.250002 B\n0.925369 0.383594 0.250001 B\n",
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{
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"updated_at": "2022-09-04T14:37:41.533985Z",
"structure_string": "Dy10 Si6\n1.0\n4.217800 -7.305444 -0.000000\n4.217800 7.305444 0.000000\n-0.000000 -0.000000 6.343642\nDy Si\n10 6\ndirect\n0.000000 0.756997 0.750000 Dy\n0.000000 0.243003 0.250000 Dy\n0.756997 0.756997 0.250000 Dy\n0.756997 0.000000 0.750000 Dy\n0.243003 0.243003 0.750000 Dy\n0.243003 0.000000 0.250000 Dy\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.500000 Dy\n0.333333 0.666667 0.000000 Dy\n0.666667 0.333333 0.500000 Dy\n0.394025 0.000000 0.750000 Si\n0.394025 0.394025 0.250000 Si\n0.000000 0.605975 0.250000 Si\n0.000000 0.394025 0.750000 Si\n0.605975 0.605975 0.750000 Si\n0.605975 0.000000 0.250000 Si\n",
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{
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"structure_string": "Dy6 Fe4 Si6\n1.0\n4.081107 0.000000 0.000000\n-2.040554 5.258097 0.000000\n0.000000 0.000000 13.620364\nDy Fe Si\n6 4 6\ndirect\n0.419767 0.839532 0.612058 Dy\n0.580235 0.160469 0.387942 Dy\n0.580235 0.160469 0.112058 Dy\n0.419767 0.839532 0.887942 Dy\n0.864924 0.729845 0.250000 Dy\n0.135078 0.270155 0.750000 Dy\n0.715439 0.430878 0.919190 Fe\n0.284563 0.569123 0.080809 Fe\n0.284563 0.569123 0.419190 Fe\n0.715439 0.430878 0.580809 Fe\n0.126200 0.252401 0.540138 Si\n0.873801 0.747599 0.459862 Si\n0.873801 0.747599 0.040138 Si\n0.126200 0.252401 0.959862 Si\n0.175121 0.350242 0.250000 Si\n0.824881 0.649758 0.750000 Si\n",
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{
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}