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{
"id": "jvasp-40367",
"created_at": "2022-09-04T14:37:44.955610Z",
"updated_at": "2022-09-04T14:37:44.955639Z",
"structure_string": "K4 P2 Pd1 S8\n1.0\n6.338644 0.003006 -0.000162\n0.645506 6.834620 -0.048477\n1.199241 0.185735 8.897435\nK P Pd S\n4 2 1 8\ndirect\n0.294953 0.336582 0.141494 K\n0.751726 0.213116 0.469489 K\n0.248274 0.786885 0.530512 K\n0.705046 0.663419 0.858506 K\n0.825699 0.727062 0.263269 P\n0.174300 0.272940 0.736732 P\n0.000000 0.000000 0.000000 Pd\n0.669367 0.957845 0.149607 S\n0.780004 0.466315 0.178688 S\n0.137310 0.806694 0.193226 S\n0.754802 0.736854 0.490739 S\n0.245197 0.263147 0.509262 S\n0.862689 0.193307 0.806774 S\n0.219996 0.533686 0.821312 S\n0.330632 0.042157 0.850394 S\n",
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"structure_string": "Li8 Ir1 O6\n1.0\n4.805754 0.000612 3.429258\n1.766112 4.469465 3.429258\n0.000901 0.000612 5.903819\nLi Ir O\n8 1 6\ndirect\n0.341315 0.341314 0.341316 Li\n0.516193 0.897866 0.233031 Li\n0.233030 0.516192 0.897868 Li\n0.897867 0.233029 0.516194 Li\n0.483807 0.102132 0.766971 Li\n0.766970 0.483806 0.102134 Li\n0.658684 0.658683 0.658686 Li\n0.102133 0.766969 0.483808 Li\n0.000000 0.000000 0.000000 Ir\n0.237627 0.909310 0.611918 O\n0.090688 0.388082 0.762374 O\n0.762373 0.090688 0.388084 O\n0.611917 0.237626 0.909313 O\n0.909311 0.611916 0.237628 O\n0.388083 0.762372 0.090690 O\n",
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{
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"created_at": "2022-09-04T14:37:45.273783Z",
"updated_at": "2022-09-04T14:37:45.273810Z",
"structure_string": "Na1 Zr2 Cu1 F11\n1.0\n5.705389 0.259445 -0.620873\n-1.541571 4.874598 1.775214\n-2.174546 -0.684403 7.508187\nNa Zr Cu F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.496419 0.512856 0.763821 Zr\n0.503581 0.487146 0.236179 Zr\n-0.000000 0.000000 0.500000 Cu\n0.328967 0.793854 0.118760 F\n0.150852 0.265127 0.650823 F\n0.807633 0.787958 0.727127 F\n0.671033 0.206148 0.881240 F\n0.292534 0.376057 -0.032922 F\n0.849148 0.734874 0.349177 F\n0.708085 0.183333 0.350936 F\n0.291915 0.816669 0.649064 F\n0.192367 0.212044 0.272872 F\n0.500000 0.500001 0.500000 F\n0.707466 0.623945 0.032922 F\n",
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{
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"created_at": "2022-09-04T14:37:41.374233Z",
"updated_at": "2022-09-04T14:37:41.374261Z",
"structure_string": "Tb3 Ga9 Os3\n1.0\n6.440099 -0.000000 0.000000\n-0.000000 6.440099 -0.000000\n0.000000 -0.000000 6.440099\nTb Ga Os\n3 9 3\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Ga\n0.710747 0.710747 0.710747 Ga\n0.710747 0.289253 0.710747 Ga\n0.289253 0.710747 0.710747 Ga\n0.710747 0.710747 0.289253 Ga\n0.710747 0.289253 0.289253 Ga\n0.289253 0.289253 0.289253 Ga\n0.289253 0.710747 0.289253 Ga\n0.289253 0.289253 0.710747 Ga\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n",
"nsites": 15,
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{
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"updated_at": "2022-09-04T14:37:55.501990Z",
"structure_string": "B12 C3\n1.0\n5.976302 0.189841 3.002343\n1.932133 5.658540 3.002343\n0.256710 0.189841 6.683139\nB C\n12 3\ndirect\n0.496952 0.873451 0.496952 B\n0.496952 0.496952 0.873451 B\n0.873451 0.496952 0.496952 B\n0.126548 0.503048 0.503048 B\n0.503048 0.126549 0.503048 B\n0.503047 0.503048 0.126549 B\n0.342052 0.099105 0.342052 B\n0.342052 0.342052 0.099105 B\n0.099105 0.342052 0.342052 B\n0.900895 0.657948 0.657948 B\n0.657947 0.900895 0.657948 B\n0.657947 0.657948 0.900895 B\n0.415086 0.415086 0.415086 C\n0.584913 0.584913 0.584913 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 15,
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{
"id": "jvasp-20813",
"created_at": "2022-09-04T14:37:45.019762Z",
"updated_at": "2022-09-04T14:37:45.019770Z",
"structure_string": "Mn4 Al11\n1.0\n5.048968 -0.000142 -0.001957\n-0.916518 4.972802 -0.000774\n-0.015946 -2.362397 8.449165\nMn Al\n4 11\ndirect\n0.283804 0.150971 0.599901 Mn\n0.716195 0.849028 0.400100 Mn\n0.665919 0.611925 0.866929 Mn\n0.334080 0.388075 0.133072 Mn\n0.000000 0.000000 0.000000 Al\n0.949759 0.815834 0.673165 Al\n0.050240 0.184166 0.326836 Al\n0.797194 0.264822 0.632980 Al\n0.844110 0.531747 0.127193 Al\n0.155889 0.468253 0.872807 Al\n0.494881 0.890082 0.124243 Al\n0.505118 0.109918 0.875758 Al\n0.565249 0.327054 0.373530 Al\n0.434750 0.672946 0.626470 Al\n0.202805 0.735178 0.367021 Al\n",
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{
"id": "jvasp-56858",
"created_at": "2022-09-04T14:37:55.924751Z",
"updated_at": "2022-09-04T14:37:55.924776Z",
"structure_string": "Mn2 Fe1 C6 N6\n1.0\n2.981527 -5.164157 0.000000\n2.981527 5.164157 0.000000\n0.000000 0.000000 6.475485\nMn Fe C N\n2 1 6 6\ndirect\n0.666668 0.333333 0.500004 Mn\n0.333333 0.666668 0.499995 Mn\n0.000000 0.000000 0.000000 Fe\n0.245979 -0.000004 0.821892 C\n0.245983 0.245979 0.178107 C\n0.754022 1.000005 0.178107 C\n1.000004 0.245983 0.821892 C\n-0.000003 0.754018 0.178107 C\n0.754018 0.754022 0.821892 C\n0.615612 0.615615 0.690748 N\n0.615615 0.000003 0.309251 N\n0.999998 0.615612 0.309251 N\n0.384386 0.999998 0.690748 N\n0.384389 0.384386 0.309251 N\n0.000003 0.384389 0.690748 N\n",
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{
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"created_at": "2022-09-04T14:37:35.084200Z",
"updated_at": "2022-09-04T14:37:35.084230Z",
"structure_string": "Li8 Pr1 O6\n1.0\n5.151527 0.065782 3.938312\n1.983462 4.754833 3.938312\n0.097363 0.065782 6.483754\nLi Pr O\n8 1 6\ndirect\n0.374834 0.374833 0.374833 Li\n0.499324 0.905006 0.220692 Li\n0.220692 0.499323 0.905006 Li\n0.905007 0.220692 0.499323 Li\n0.500676 0.094993 0.779307 Li\n0.779308 0.500676 0.094993 Li\n0.625167 0.625166 0.625166 Li\n0.094993 0.779307 0.500676 Li\n0.000000 0.000000 0.000000 Pr\n0.245132 0.884856 0.597589 O\n0.115143 0.402411 0.754868 O\n0.754868 0.115143 0.402411 O\n0.597589 0.245132 0.884856 O\n0.884857 0.597588 0.245132 O\n0.402411 0.754867 0.115143 O\n",
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{
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"created_at": "2022-09-04T14:37:45.424559Z",
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"structure_string": "Sm1 Th4 O10\n1.0\n5.610257 -2.805130 -2.805274\n0.000000 -0.000000 5.610548\n-2.805130 -5.610257 -2.805274\nSm Th O\n1 4 10\ndirect\n0.200000 0.800001 0.400000 Sm\n0.002350 0.001380 0.000412 Th\n0.397650 0.598621 0.799589 Th\n0.599589 0.400970 0.202350 Th\n0.800412 0.199032 0.597650 Th\n0.098517 0.151919 0.701814 O\n0.098517 0.648413 0.701814 O\n0.501814 0.253404 0.501483 O\n0.501814 0.749898 0.501483 O\n0.700000 0.550002 0.900000 O\n0.700000 0.050001 0.900000 O\n0.301483 0.448082 0.098186 O\n0.301483 0.951588 0.098186 O\n0.898186 0.850105 0.298517 O\n0.898186 0.346599 0.298517 O\n",
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"structure_string": "Li3 Cr3 Fe1 O8\n1.0\n5.788910 -0.007888 -0.002932\n-2.887524 5.017146 -0.000965\n-2.894408 -1.664764 4.767554\nLi Cr Fe O\n3 3 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.500001 0.500001 0.500000 Li\n-0.000000 0.000000 0.500000 Li\n0.500001 0.500000 0.000001 Cr\n0.500000 -0.000000 0.000000 Cr\n0.000001 0.500001 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.483661 0.741825 0.225507 O\n0.982675 0.233484 0.216180 O\n0.982676 0.749183 0.216179 O\n0.516340 0.258176 0.774494 O\n0.466973 0.233481 0.216176 O\n0.017327 0.766518 0.783820 O\n0.017325 0.250818 0.783822 O\n0.533029 0.766521 0.783825 O\n",
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"structure_string": "Li3 V4 O8\n1.0\n5.222591 -0.079884 2.884813\n1.665548 4.710880 2.884813\n0.000000 0.000000 5.769627\nLi V O\n3 4 8\ndirect\n0.069690 0.143437 0.143437 Li\n0.500000 0.000000 -0.000000 Li\n0.930310 0.856564 0.856562 Li\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 -0.000001 V\n0.000000 0.500000 0.500000 V\n0.263593 0.252474 0.252474 O\n0.263593 0.252474 0.731459 O\n0.263593 0.731459 0.252473 O\n0.707437 0.264188 0.264187 O\n0.292563 0.735813 0.735812 O\n0.736407 0.747527 0.268540 O\n0.736407 0.268542 0.747526 O\n0.736407 0.747527 0.747525 O\n",
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{
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"created_at": "2022-09-04T14:35:53.980678Z",
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"structure_string": "Li3 Mn4 O8\n1.0\n2.644416 -3.044373 4.032507\n-2.660492 3.053613 4.050035\n-3.345269 -2.906121 4.043642\nLi Mn O\n3 4 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.499999 Li\n0.500000 0.500000 -0.000001 Li\n-0.000000 0.499999 0.500000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000001 Mn\n0.257398 0.779974 0.991361 O\n0.257398 0.228665 0.991361 O\n0.262838 0.780226 0.439546 O\n0.232499 0.256929 0.486141 O\n0.767501 0.743071 0.513858 O\n0.737163 0.219774 0.560453 O\n0.742603 0.771335 0.008638 O\n0.742603 0.220026 0.008638 O\n",
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]
}