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{
"id": "jvasp-44268",
"created_at": "2022-09-04T14:36:09.698465Z",
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"structure_string": "Li4 V1 Te3 O12\n1.0\n0.000000 4.949290 0.035914\n8.818522 0.000000 0.000000\n0.000000 -0.305274 -5.160590\nLi V Te O\n4 1 3 12\ndirect\n0.000000 0.307442 0.000000 Li\n0.500000 0.132439 0.000000 Li\n0.000000 0.701782 0.500000 Li\n0.500000 0.826178 0.500000 Li\n0.000000 0.895744 0.000000 V\n0.500000 0.602585 0.000000 Te\n0.000000 0.076106 0.500000 Te\n0.500000 0.398275 0.500000 Te\n0.787998 0.054636 0.807609 O\n0.291817 0.580420 0.665398 O\n0.198972 0.905902 0.686987 O\n0.218489 0.224593 0.692817 O\n0.781512 0.224593 0.307184 O\n0.278286 0.442290 0.146063 O\n0.708184 0.580420 0.334602 O\n0.212003 0.054636 0.192392 O\n0.721715 0.442290 0.853938 O\n0.260272 0.751344 0.148562 O\n0.801029 0.905902 0.313014 O\n0.739729 0.751344 0.851439 O\n",
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{
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"structure_string": "Li12 Br6 N2\n1.0\n6.180680 0.000000 -0.033418\n0.000000 6.281096 0.000000\n-0.020883 0.000000 8.975145\nLi Br N\n12 6 2\ndirect\n0.398977 0.430292 0.695829 Li\n0.337170 0.264225 0.422454 Li\n0.837170 0.235775 0.922454 Li\n0.601024 0.569709 0.304171 Li\n0.662831 0.735775 0.577546 Li\n0.101024 0.930292 0.804172 Li\n0.898976 0.069709 0.195828 Li\n0.750484 0.330121 0.535649 Li\n0.249517 0.669879 0.464351 Li\n0.250483 0.169879 0.035649 Li\n0.749517 0.830121 0.964351 Li\n0.162831 0.764226 0.077546 Li\n0.007113 0.480590 0.256667 Br\n0.992888 0.519410 0.743333 Br\n0.507113 0.019410 0.756667 Br\n0.492887 0.980591 0.243333 Br\n0.500000 0.500000 -0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:36:37.006530Z",
"updated_at": "2022-09-04T14:36:37.006552Z",
"structure_string": "Cd4 Fe4 O12\n1.0\n5.264918 0.000000 0.000000\n0.000000 5.308611 0.000000\n0.000000 0.000000 7.511193\nCd Fe O\n4 4 12\ndirect\n0.006431 0.963928 0.750000 Cd\n0.493569 0.463928 0.750000 Cd\n0.506431 0.536072 0.250000 Cd\n0.993569 0.036072 0.250000 Cd\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.796128 0.793084 0.042609 O\n0.703873 0.293084 0.457391 O\n0.703873 0.293084 0.042609 O\n0.581933 0.022082 0.750000 O\n0.418068 0.977918 0.250000 O\n0.203873 0.206916 0.542609 O\n0.296127 0.706916 0.542609 O\n0.203873 0.206916 0.957391 O\n0.796128 0.793084 0.457391 O\n0.081932 0.477918 0.250000 O\n0.296127 0.706916 0.957391 O\n0.918068 0.522082 0.750000 O\n",
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{
"id": "jvasp-49149",
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"updated_at": "2022-09-04T14:36:36.168150Z",
"structure_string": "Er2 Ag2 P4 Se12\n1.0\n3.307121 -5.728100 0.000000\n3.307121 5.728100 -0.000000\n0.000000 -0.000000 13.500076\nEr Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.666667 0.333333 0.334749 P\n0.666667 0.333333 0.165251 P\n0.333333 0.666667 0.665251 P\n0.333333 0.666667 0.834749 P\n0.341035 0.321880 0.384047 Se\n0.678120 0.658965 0.115954 Se\n0.341035 0.019154 0.115954 Se\n0.980846 0.321880 0.115954 Se\n0.019154 0.341035 0.615954 Se\n0.658965 0.980846 0.884047 Se\n0.658965 0.678120 0.615954 Se\n0.321880 0.341035 0.884047 Se\n0.678120 0.019154 0.384047 Se\n0.019154 0.678120 0.884047 Se\n0.321880 0.980846 0.615954 Se\n0.980846 0.658965 0.384047 Se\n",
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{
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"created_at": "2022-09-04T14:36:18.849846Z",
"updated_at": "2022-09-04T14:36:18.849873Z",
"structure_string": "K2 Tl2 C8 N8\n1.0\n6.788369 0.000014 -3.053161\n-1.373208 6.648033 -3.053149\n-0.033801 -0.041514 8.998025\nK Tl C N\n2 2 8 8\ndirect\n0.375000 0.125000 0.750000 K\n0.625000 0.874999 0.250000 K\n0.125000 0.375000 0.250000 Tl\n0.875000 0.625000 0.749999 Tl\n0.945782 0.352124 0.578015 C\n0.852124 0.132233 0.078016 C\n0.147876 0.867767 0.921984 C\n0.632233 0.725890 0.578015 C\n0.774109 0.554217 0.921984 C\n0.367767 0.274109 0.421984 C\n0.054218 0.647876 0.421984 C\n0.225891 0.445782 0.078016 C\n0.719758 0.514526 0.011185 N\n0.014527 0.791426 0.511185 N\n0.291426 0.996657 0.011185 N\n0.503343 0.780241 0.488814 N\n0.280242 0.485473 0.988814 N\n0.708574 0.003343 0.988814 N\n0.985473 0.208573 0.488814 N\n0.496657 0.219758 0.511185 N\n",
"nsites": 20,
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{
"id": "jvasp-50769",
"created_at": "2022-09-04T14:36:10.336321Z",
"updated_at": "2022-09-04T14:36:10.336348Z",
"structure_string": "Li6 Cu2 F12\n1.0\n0.000000 5.002211 -0.002509\n5.125399 0.000000 0.000000\n0.000000 -0.061610 -7.543024\nLi Cu F\n6 2 12\ndirect\n0.753342 0.054139 0.485333 Li\n0.749988 0.512062 0.250006 Li\n0.746727 0.970015 0.014646 Li\n0.253272 0.470014 0.985353 Li\n0.250012 0.012062 0.749993 Li\n0.246658 0.554139 0.514667 Li\n0.749968 0.512043 0.749996 Cu\n0.250032 0.012043 0.250003 Cu\n0.114271 0.100094 0.016312 F\n0.385777 0.924018 0.483697 F\n0.417014 0.699334 0.164265 F\n0.426237 0.690166 0.807512 F\n0.573763 0.190165 0.192488 F\n0.917000 0.824737 0.664253 F\n0.614223 0.424018 0.516303 F\n0.885729 0.600095 0.983688 F\n0.082999 0.324737 0.335746 F\n0.926313 0.833892 0.307532 F\n0.582986 0.199334 0.835734 F\n0.073687 0.333892 0.692468 F\n",
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{
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"created_at": "2022-09-04T14:36:09.904237Z",
"updated_at": "2022-09-04T14:36:09.904264Z",
"structure_string": "Tl4 Fe4 O12\n1.0\n5.388208 -0.000000 0.000000\n-0.000000 5.410033 0.000000\n0.000000 0.000000 7.650446\nTl Fe O\n4 4 12\ndirect\n0.992513 0.028892 0.250000 Tl\n0.492512 0.471107 0.750000 Tl\n0.507488 0.528892 0.250000 Tl\n0.007488 0.971107 0.750000 Tl\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.784850 0.782789 0.045800 O\n0.284850 0.717210 0.954201 O\n0.284850 0.717210 0.545800 O\n0.784850 0.782789 0.454200 O\n0.215151 0.217210 0.954201 O\n0.587187 0.018749 0.750000 O\n0.912814 0.518749 0.750000 O\n0.412813 0.981250 0.250000 O\n0.215151 0.217210 0.545800 O\n0.087187 0.481250 0.250000 O\n0.715151 0.282789 0.045800 O\n0.715151 0.282789 0.454200 O\n",
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{
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"structure_string": "Sc12 P8\n1.0\n3.723256 0.000000 0.000000\n0.000000 10.175488 0.000000\n0.000000 0.000000 10.030300\nSc P\n12 8\ndirect\n0.250000 0.224088 0.799042 Sc\n0.750001 0.451966 0.633191 Sc\n0.250000 0.548034 0.366809 Sc\n0.750001 0.626141 0.938078 Sc\n0.250000 0.373859 0.061922 Sc\n0.750001 0.126141 0.561922 Sc\n0.250000 0.873859 0.438078 Sc\n0.250000 0.724088 0.700958 Sc\n0.750001 0.275912 0.299042 Sc\n0.750001 0.951966 0.866809 Sc\n0.750001 0.775913 0.200958 Sc\n0.250000 0.048034 0.133191 Sc\n0.750001 0.685443 0.504028 P\n0.250000 0.314557 0.495972 P\n0.750001 0.185443 0.995972 P\n0.250000 0.814558 0.004028 P\n0.750001 0.510358 0.180320 P\n0.250000 0.489642 0.819680 P\n0.750001 0.010358 0.319680 P\n0.250000 0.989642 0.680321 P\n",
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{
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"created_at": "2022-09-04T14:36:18.210609Z",
"updated_at": "2022-09-04T14:36:18.210639Z",
"structure_string": "Rb4 P4 O12\n1.0\n4.233310 0.000000 0.000000\n0.000000 6.423038 -0.706396\n0.000000 -0.052701 12.135439\nRb P O\n4 4 12\ndirect\n0.140447 0.777583 0.091796 Rb\n0.859553 0.222418 0.908204 Rb\n0.359553 0.277583 0.591796 Rb\n0.640447 0.722418 0.408204 Rb\n0.493623 0.318712 0.177968 P\n0.993623 0.181288 0.322032 P\n0.506376 0.681288 0.822032 P\n0.006377 0.818713 0.677968 P\n0.755042 0.651434 0.718435 O\n0.255042 0.848567 0.781565 O\n0.852776 0.026833 0.675770 O\n0.337954 0.212440 0.076347 O\n0.837954 0.287560 0.423653 O\n0.662046 0.787560 0.923653 O\n0.162046 0.712441 0.576347 O\n0.647224 0.526833 0.175769 O\n0.147224 0.973168 0.324230 O\n0.352776 0.473168 0.824230 O\n0.744958 0.151434 0.218435 O\n0.244958 0.348566 0.281565 O\n",
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{
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"created_at": "2022-09-04T14:36:35.856679Z",
"updated_at": "2022-09-04T14:36:35.856696Z",
"structure_string": "Sc2 Ag2 P4 Se12\n1.0\n3.255132 -5.638053 -0.000000\n3.255132 5.638053 -0.000000\n0.000000 0.000000 13.437078\nSc Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Sc\n0.000000 0.000000 0.750000 Sc\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.665857 P\n0.666667 0.333333 0.834143 P\n0.333333 0.666667 0.334143 P\n0.333333 0.666667 0.165857 P\n0.672569 0.979630 0.381838 Se\n0.307061 0.979630 0.118162 Se\n0.979630 0.307061 0.618162 Se\n0.692939 0.672569 0.618162 Se\n0.327431 0.020370 0.618162 Se\n0.020370 0.692939 0.381838 Se\n0.327431 0.307061 0.881838 Se\n0.020370 0.327431 0.118162 Se\n0.979630 0.672569 0.881838 Se\n0.672569 0.692939 0.118162 Se\n0.692939 0.020370 0.881838 Se\n0.307061 0.327431 0.381838 Se\n",
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{
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"created_at": "2022-09-04T14:36:37.353978Z",
"updated_at": "2022-09-04T14:36:37.354027Z",
"structure_string": "Dy8 Se12\n1.0\n4.010682 0.000000 0.000000\n-0.000000 10.947503 0.000000\n0.000000 0.000000 11.118662\nDy Se\n8 12\ndirect\n0.250000 0.998675 0.806057 Dy\n0.750000 0.001325 0.193942 Dy\n0.750000 0.498675 0.693942 Dy\n0.250000 0.501325 0.306058 Dy\n0.250000 0.187458 0.486588 Dy\n0.750000 0.812542 0.513412 Dy\n0.750000 0.687458 0.013412 Dy\n0.250000 0.312542 0.986588 Dy\n0.750000 0.125463 0.955104 Se\n0.250000 0.874537 0.044896 Se\n0.250000 0.556205 0.881250 Se\n0.750000 0.443795 0.118750 Se\n0.750000 0.056205 0.618750 Se\n0.750000 0.696208 0.273787 Se\n0.250000 0.196208 0.226213 Se\n0.750000 0.803791 0.773786 Se\n0.750000 0.374537 0.455104 Se\n0.250000 0.303791 0.726213 Se\n0.250000 0.943795 0.381250 Se\n0.250000 0.625463 0.544896 Se\n",
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{
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"created_at": "2022-09-04T14:36:19.191974Z",
"updated_at": "2022-09-04T14:36:19.191992Z",
"structure_string": "Ca4 Zr4 O12\n1.0\n5.601170 -0.000000 0.000000\n-0.000000 5.799701 0.000000\n0.000000 0.000000 8.047677\nCa Zr O\n4 4 12\ndirect\n0.013800 0.947760 0.750000 Ca\n0.486200 0.447760 0.750000 Ca\n0.513800 0.552240 0.250000 Ca\n0.986200 0.052240 0.250000 Ca\n0.000000 0.500000 0.000000 Zr\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Zr\n0.696835 0.300344 0.057818 O\n0.696835 0.300344 0.442183 O\n0.391011 0.957823 0.250000 O\n0.196835 0.199655 0.557818 O\n0.108989 0.457823 0.250000 O\n0.303165 0.699655 0.942183 O\n0.608989 0.042177 0.750000 O\n0.303165 0.699655 0.557818 O\n0.891011 0.542176 0.750000 O\n0.803165 0.800344 0.057818 O\n0.803165 0.800344 0.442183 O\n0.196835 0.199655 0.942183 O\n",
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}
]
}