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{
"id": "jvasp-43809",
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"structure_string": "Li4 Ti5 Fe3 O16\n1.0\n-5.798190 -0.000065 0.000332\n2.898953 4.923639 -0.030716\n-0.000791 0.042391 -9.521583\nLi Ti Fe O\n4 5 3 16\ndirect\n0.330410 0.660836 0.108403 Li\n0.013121 0.026272 0.006934 Li\n0.004711 0.009448 0.505282 Li\n0.660653 0.321325 0.599911 Li\n0.823969 0.647949 0.276997 Ti\n0.159102 0.807642 0.782255 Ti\n0.330720 0.661454 0.499986 Ti\n0.648518 0.807646 0.782254 Ti\n0.654632 0.309291 0.006508 Ti\n0.825755 0.172627 0.287365 Fe\n0.179696 0.359416 0.787784 Fe\n0.346855 0.172628 0.287364 Fe\n0.834506 0.669037 0.907659 O\n0.336762 0.176741 0.900743 O\n0.664385 0.328793 0.399211 O\n0.966102 0.482625 0.158934 O\n0.516510 0.482628 0.158937 O\n0.165898 0.331822 0.394836 O\n0.481511 0.510407 0.654249 O\n0.479273 0.958577 0.663318 O\n0.667485 0.838029 0.403716 O\n0.006860 0.013732 0.194385 O\n0.004518 0.009064 0.694020 O\n0.339919 0.679858 0.906674 O\n0.518477 0.036966 0.165732 O\n0.170523 0.838028 0.403716 O\n0.028873 0.510408 0.654247 O\n0.839951 0.176741 0.900740 O\n",
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{
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"structure_string": "V4 Sb4 O16\n1.0\n5.608454 0.002932 0.219265\n1.745825 5.329735 0.219277\n-0.010057 -0.007374 9.094797\nV Sb O\n4 4 16\ndirect\n0.495878 0.495881 0.504130 V\n0.870884 0.870876 0.629121 V\n0.995877 0.995879 0.004129 V\n0.370883 0.370875 0.129120 V\n0.752033 0.752028 0.247968 Sb\n0.252034 0.252029 0.747967 Sb\n0.627032 0.627034 0.872967 Sb\n0.127033 0.127034 0.372966 Sb\n0.432680 0.815867 0.375739 O\n0.932678 0.315864 0.875737 O\n0.315850 0.932662 0.875727 O\n0.815853 0.432663 0.375729 O\n0.095052 0.095085 0.596525 O\n0.595050 0.595083 0.096526 O\n0.350901 0.350899 0.347354 O\n0.678526 0.075031 0.123222 O\n0.575034 0.178528 0.623227 O\n0.075032 0.678527 0.123225 O\n0.403478 0.403463 0.904934 O\n0.178528 0.575034 0.623223 O\n0.152646 0.152650 0.149097 O\n0.652647 0.652653 0.649098 O\n0.850899 0.850898 0.847355 O\n0.903480 0.903464 0.404934 O\n",
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{
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"created_at": "2022-09-04T14:35:48.084940Z",
"updated_at": "2022-09-04T14:35:48.084963Z",
"structure_string": "Na2 Ga2 Te4\n1.0\n6.526946 0.000000 -3.015537\n-1.393218 6.376516 -3.015537\n-0.610922 -0.758815 7.249054\nNa Ga Te\n2 2 4\ndirect\n0.250000 0.750001 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.750001 0.250001 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.426085 0.375000 0.250000 Te\n0.125000 0.573916 0.750000 Te\n0.625001 0.176085 0.750000 Te\n0.823916 0.875001 0.250000 Te\n",
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{
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"created_at": "2022-09-04T14:35:54.184368Z",
"updated_at": "2022-09-04T14:35:54.184391Z",
"structure_string": "Mn10 As8\n1.0\n3.535276 -0.000000 0.000000\n-1.767637 6.500089 -0.000000\n-0.000000 -0.000000 11.829403\nMn As\n10 8\ndirect\n0.021499 0.042998 0.290157 Mn\n0.216530 0.433061 0.178881 Mn\n0.555216 0.110432 0.125017 Mn\n0.444784 0.889568 0.625017 Mn\n0.633891 0.267782 0.517763 Mn\n0.783470 0.566940 0.678881 Mn\n0.831327 0.662651 0.374064 Mn\n0.168674 0.337349 0.874064 Mn\n0.978501 0.957002 0.790157 Mn\n0.366109 0.732218 0.017763 Mn\n0.604766 0.209529 0.734633 As\n0.004278 0.008555 0.995882 As\n0.995723 0.991445 0.495882 As\n0.273104 0.546209 0.526031 As\n0.726896 0.453791 0.026031 As\n0.346832 0.693666 0.806669 As\n0.653168 0.306334 0.306669 As\n0.395235 0.790471 0.234633 As\n",
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{
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"created_at": "2022-09-04T14:38:01.345087Z",
"updated_at": "2022-09-04T14:38:01.345102Z",
"structure_string": "Co1 Sn1 H12 O6 F6\n1.0\n6.471602 0.089035 -0.692306\n-0.779639 6.425085 -0.692307\n0.077798 0.089036 6.508062\nCo Sn H O F\n1 1 12 6 6\ndirect\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.347094 0.182599 0.695404 H\n0.695404 0.347093 0.182597 H\n0.182599 0.695404 0.347094 H\n0.304596 0.652907 0.817401 H\n0.817401 0.304595 0.652907 H\n0.687723 0.899162 0.545508 H\n0.454491 0.312277 0.100838 H\n0.100838 0.454490 0.312277 H\n0.312277 0.100839 0.454491 H\n0.545509 0.687725 0.899161 H\n0.899161 0.545511 0.687722 H\n0.652906 0.817403 0.304594 H\n0.602672 0.799330 0.440789 O\n0.559210 0.397328 0.200671 O\n0.397328 0.200672 0.559209 O\n0.440790 0.602672 0.799329 O\n0.200670 0.559211 0.397328 O\n0.799330 0.440791 0.602671 O\n0.865851 0.062814 0.726023 F\n0.062813 0.726023 0.865850 F\n0.726023 0.865850 0.062812 F\n0.134148 0.937187 0.273975 F\n0.273977 0.134149 0.937188 F\n0.937187 0.273977 0.134148 F\n",
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{
"id": "jvasp-44582",
"created_at": "2022-09-04T14:38:31.481562Z",
"updated_at": "2022-09-04T14:38:31.481584Z",
"structure_string": "Li4 Fe6 Sn2 O16\n1.0\n5.709572 -0.000086 -0.000378\n-2.854860 4.944764 0.000756\n0.000602 -0.001044 9.629979\nLi Fe Sn O\n4 6 2 16\ndirect\n0.333313 0.666681 0.894419 Li\n0.000082 0.000042 0.994211 Li\n0.999917 -0.000039 0.494211 Li\n0.666686 0.333368 0.394419 Li\n0.826860 0.653821 0.714498 Fe\n0.346101 0.173063 0.714504 Fe\n0.826858 0.173058 0.714502 Fe\n0.173141 0.346198 0.214502 Fe\n0.173138 0.826960 0.214498 Fe\n0.653898 0.826960 0.214504 Fe\n0.333292 0.666660 0.493953 Sn\n0.666707 0.333369 0.993953 Sn\n0.312656 0.156342 0.105472 O\n0.843752 0.687441 0.105451 O\n0.666606 0.333321 0.604045 O\n0.514773 0.029645 0.833606 O\n0.514762 0.485152 0.833598 O\n0.687343 0.843685 0.605472 O\n0.485226 0.514871 0.333606 O\n0.029663 0.514838 0.333583 O\n0.156223 0.312561 0.605445 O\n0.999931 -0.000035 0.806633 O\n0.000068 0.000032 0.306633 O\n0.333393 0.666714 0.104045 O\n0.970336 0.485173 0.833582 O\n0.156246 0.843687 0.605451 O\n0.485237 0.970389 0.333599 O\n0.843776 0.156338 0.105445 O\n",
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{
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"structure_string": "K4 N4 O12\n1.0\n0.000000 4.681245 -0.912844\n5.495815 0.000000 0.000000\n0.000000 -2.011724 -10.175445\nK N O\n4 4 12\ndirect\n0.597181 0.749579 0.375074 K\n0.402820 0.249580 0.124926 K\n0.402820 0.250420 0.624925 K\n0.597181 0.750419 0.875073 K\n-0.010482 0.249377 0.374961 N\n0.010483 0.749377 0.125038 N\n0.010483 0.750622 0.625038 N\n-0.010482 0.250622 0.874961 N\n0.722583 0.249586 0.374596 O\n0.277418 0.749585 0.125403 O\n0.121663 0.050677 0.875282 O\n0.878339 0.550677 0.624717 O\n0.878339 -0.050677 0.124717 O\n0.878760 0.549217 0.124951 O\n0.121241 0.450782 0.875048 O\n0.878761 0.950781 0.624950 O\n0.722583 0.250414 0.874596 O\n0.121241 0.049218 0.375049 O\n0.121663 0.449323 0.375282 O\n0.277419 0.750413 0.625402 O\n",
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{
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"structure_string": "Cd1 Hg1 C4 S4 N4\n1.0\n3.920907 0.000195 1.026084\n1.960836 8.190248 0.513003\n-0.111170 -0.000038 8.437556\nCd Hg C S N\n1 1 4 4 4\ndirect\n0.750066 0.499964 0.499935 Cd\n-0.000036 0.000009 0.000015 Hg\n0.117273 0.647466 0.828952 C\n0.235501 0.171047 0.647469 C\n0.593473 0.352534 0.171054 C\n0.053757 0.828965 0.352513 C\n0.165691 0.998397 0.284635 S\n0.449291 0.001787 0.715493 S\n0.835687 0.715417 0.998323 S\n0.549127 0.284605 0.001742 S\n0.975180 0.707087 0.403012 N\n0.317878 0.596891 0.707128 N\n0.085286 0.292798 0.596872 N\n0.621836 0.403035 0.292855 N\n",
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"structure_string": "Ca2 Cr4 S8\n1.0\n7.235300 0.006755 0.002746\n-3.611563 -6.289318 0.003932\n-3.617131 1.933112 -5.981513\nCa Cr S\n2 4 8\ndirect\n-0.000006 -0.000009 0.000011 Ca\n0.500009 0.500005 0.499996 Ca\n0.000008 0.000006 0.500012 Cr\n0.500010 0.000006 0.000005 Cr\n0.499997 0.999995 0.499999 Cr\n0.000001 0.499998 0.500012 Cr\n0.026775 0.762189 0.291363 S\n0.029580 0.759412 0.740608 S\n0.473215 0.208644 0.737802 S\n0.529565 0.240583 0.259409 S\n0.526799 0.791366 0.262200 S\n0.970440 0.240601 0.259418 S\n0.470431 0.759408 0.740590 S\n0.973217 0.237801 0.708655 S\n",
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{
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"structure_string": "Ba1 Ga2 Ge1 Se6\n1.0\n6.409620 0.025931 -1.281312\n-1.316743 6.368900 -1.131126\n-0.059890 0.048914 6.656464\nBa Ga Ge Se\n1 2 1 6\ndirect\n0.004059 0.000025 0.987267 Ba\n0.814563 0.534461 0.403204 Ga\n0.547233 0.396113 0.820862 Ga\n0.396399 0.823409 0.544083 Ge\n0.253643 0.137992 0.573423 Se\n0.134627 0.591098 0.261447 Se\n0.582844 0.254134 0.136296 Se\n0.733705 0.885542 0.455243 Se\n0.895461 0.451182 0.747611 Se\n0.453097 0.741670 0.886189 Se\n",
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{
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"created_at": "2022-09-04T14:38:14.054899Z",
"updated_at": "2022-09-04T14:38:14.054921Z",
"structure_string": "Sm4 Ti4 O14\n1.0\n6.297702 -0.000000 3.635979\n2.099234 5.937529 3.635979\n0.000000 0.000000 7.271959\nSm Ti O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Sm\n-0.000000 0.500000 0.500000 Sm\n0.500000 -0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.077068 0.672932 0.077069 O\n0.672932 0.077068 0.672932 O\n0.672932 0.077068 0.077068 O\n0.624999 0.625000 0.625000 O\n0.922931 0.327068 0.327069 O\n0.327068 0.922932 0.327069 O\n0.327068 0.327068 0.922932 O\n0.922931 0.922932 0.327069 O\n0.922931 0.327068 0.922932 O\n0.077068 0.672932 0.672932 O\n0.327068 0.922932 0.922932 O\n0.375000 0.375000 0.375000 O\n0.672931 0.672932 0.077069 O\n0.077068 0.077068 0.672932 O\n",
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{
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"structure_string": "Ag4 Ge2 S6\n1.0\n6.538517 -0.000000 0.000000\n-0.000000 6.058585 -3.261772\n0.000000 -0.030711 6.880746\nAg Ge S\n4 2 6\ndirect\n0.491819 0.305376 0.995061 Ag\n0.991820 0.694623 0.004939 Ag\n0.491819 0.995060 0.305377 Ag\n0.991820 0.004939 0.694624 Ag\n0.959478 0.338971 0.338972 Ge\n0.459478 0.661028 0.661029 Ge\n0.823360 0.643931 0.643932 S\n0.323360 0.356068 0.356069 S\n0.375263 0.649919 0.966394 S\n0.375263 0.966392 0.649920 S\n0.875263 0.033607 0.350081 S\n0.875263 0.350080 0.033607 S\n",
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]
}