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{
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"structure_string": "Ba4 Mg8 V8 O32\n1.0\n7.664694 0.000075 3.694616\n3.832401 8.837261 1.847374\n-0.004786 0.000074 9.808018\nBa Mg V O\n4 8 8 32\ndirect\n0.375001 0.249999 0.750002 Ba\n0.124998 0.749999 0.250000 Ba\n0.624998 0.750000 0.249999 Ba\n0.875001 0.250000 0.750001 Ba\n0.957159 0.249998 0.085680 Mg\n0.042841 0.750001 0.914320 Mg\n0.457158 0.585679 0.749998 Mg\n0.792840 0.914318 0.750002 Mg\n0.707159 0.749998 0.585681 Mg\n0.542841 0.414320 0.250002 Mg\n0.292840 0.250001 0.414319 Mg\n0.207159 0.085681 0.249999 Mg\n0.750000 0.081344 0.418656 V\n0.250000 0.418652 0.081348 V\n0.668653 0.081348 0.081346 V\n0.168653 0.581345 0.581348 V\n0.250000 0.918655 0.581345 V\n0.750000 0.581347 0.918653 V\n0.831346 0.418654 0.418653 V\n0.331346 0.918651 0.918655 V\n0.957654 0.733495 0.585756 O\n0.776910 0.414242 0.266505 O\n0.543411 0.233495 0.414244 O\n0.191148 0.266507 0.085757 O\n0.457654 0.085755 0.233497 O\n0.276910 0.766504 0.914243 O\n0.349647 0.585368 0.411108 O\n0.223089 0.585756 0.733495 O\n0.346123 0.914631 0.088891 O\n0.260757 0.088889 0.585367 O\n0.935014 0.411107 0.914632 O\n0.150352 0.088892 0.914632 O\n0.564985 0.585368 0.088892 O\n0.239242 0.914633 0.411110 O\n0.153877 0.411109 0.585369 O\n0.650352 0.414631 0.588893 O\n0.653876 0.085368 0.911110 O\n0.739242 0.911110 0.414634 O\n0.043411 0.914243 0.733495 O\n0.064986 0.588892 0.085368 O\n0.435014 0.414631 0.911108 O\n0.760757 0.085366 0.588890 O\n0.846123 0.588890 0.414631 O\n0.723089 0.233495 0.085757 O\n0.042345 0.266504 0.414244 O\n0.308851 0.414242 0.233493 O\n0.956588 0.085756 0.266505 O\n0.542345 0.914244 0.766504 O\n0.808851 0.733492 0.914243 O\n0.456588 0.766504 0.585757 O\n0.849647 0.911107 0.085368 O\n0.691148 0.585757 0.766507 O\n",
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{
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"structure_string": "Ca2 Cu2 F8\n1.0\n4.936489 0.000000 -2.281001\n-1.053982 4.822660 -2.281001\n-0.012308 -0.015287 6.455580\nCa Cu F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 Ca\n0.750000 0.750000 0.500000 Ca\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.949492 0.449492 0.257091 F\n0.692400 0.192400 0.742909 F\n0.050508 0.550508 0.742909 F\n0.192400 0.050508 0.742909 F\n0.307600 0.807600 0.257091 F\n0.449492 0.307599 0.257091 F\n0.807600 0.949492 0.257091 F\n0.550508 0.692400 0.742910 F\n",
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{
"id": "jvasp-7852",
"created_at": "2022-09-04T14:37:04.396754Z",
"updated_at": "2022-09-04T14:37:04.396775Z",
"structure_string": "Ba1 Yb2 Ni1 O5\n1.0\n3.585608 0.000005 -1.067902\n-0.740771 5.095248 -2.487233\n-0.055043 -0.107658 6.368639\nYb Ba Ni O\n2 1 1 5\ndirect\n0.290716 0.790709 0.581419 Yb\n0.709285 0.209291 0.418583 Yb\n0.500001 0.500001 0.000002 Ba\n-0.000000 0.000000 -0.000000 Ni\n0.500001 0.000000 0.000001 O\n0.134619 0.907276 0.269255 O\n0.865382 0.092724 0.730747 O\n0.865383 0.638022 0.730748 O\n0.134618 0.361979 0.269252 O\n",
"nsites": 9,
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{
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"created_at": "2022-09-04T14:36:21.352509Z",
"updated_at": "2022-09-04T14:36:21.352535Z",
"structure_string": "Be1 Ru2 Pt1\n1.0\n2.756595 0.000000 -0.000000\n0.000000 2.756595 0.000000\n0.000000 0.000000 6.726598\nBe Ru Pt\n1 2 1\ndirect\n0.000000 0.000000 0.500726 Be\n0.000000 0.000000 0.017897 Ru\n0.499999 0.499999 0.274587 Ru\n0.499999 0.499999 0.706792 Pt\n",
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{
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"created_at": "2022-09-04T14:38:36.581548Z",
"updated_at": "2022-09-04T14:38:36.581577Z",
"structure_string": "Mg4 Ta4 Sn2 O16\n1.0\n-5.293614 0.001119 0.011148\n-0.000528 -6.029496 -0.001957\n0.328042 3.015201 10.409364\nMg Ta Sn O\n4 4 2 16\ndirect\n0.243480 0.870220 0.459740 Mg\n0.255517 0.410617 0.540244 Mg\n0.755563 0.128940 0.540204 Mg\n0.743519 0.588532 0.459697 Mg\n0.269018 0.042271 0.745441 Ta\n0.230009 0.296260 0.254564 Ta\n0.730030 0.956865 0.254503 Ta\n0.769045 0.702872 0.745382 Ta\n0.749517 0.305905 0.000525 Sn\n0.249543 0.693192 0.999411 Sn\n0.119803 0.157330 0.607010 O\n0.379257 0.550121 0.392948 O\n0.879237 0.841823 0.392941 O\n0.619783 0.449038 0.606989 O\n0.947291 0.301449 0.383170 O\n0.551835 0.918618 0.616898 O\n0.884498 0.547025 0.860215 O\n0.037280 0.999112 0.168334 O\n0.114549 0.452064 0.139710 O\n0.384167 0.313230 0.860286 O\n0.461561 0.831092 0.831609 O\n0.051768 0.697710 0.616780 O\n0.537513 0.168060 0.168343 O\n0.961793 0.000009 0.831627 O\n0.614872 0.685912 0.139659 O\n0.447210 0.080540 0.383048 O\n",
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{
"id": "jvasp-49953",
"created_at": "2022-09-04T14:36:01.696100Z",
"updated_at": "2022-09-04T14:36:01.696120Z",
"structure_string": "Ca4 Hf4 O12\n1.0\n5.568039 -0.000000 0.000000\n0.000000 5.747802 0.000000\n0.000000 0.000000 7.985398\nCa Hf O\n4 4 12\ndirect\n0.012930 0.949633 0.750000 Ca\n0.487070 0.449634 0.750000 Ca\n0.512930 0.550366 0.250000 Ca\n0.987070 0.050366 0.250000 Ca\n0.000000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.801251 0.798605 0.054820 O\n0.698749 0.298605 0.445180 O\n0.698749 0.298605 0.054820 O\n0.603664 0.037760 0.750000 O\n0.396336 0.962239 0.250000 O\n0.198749 0.201395 0.554820 O\n0.301251 0.701395 0.554820 O\n0.198749 0.201395 0.945181 O\n0.801251 0.798605 0.445180 O\n0.103664 0.462239 0.250000 O\n0.301251 0.701395 0.945181 O\n0.896336 0.537760 0.750000 O\n",
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{
"id": "jvasp-115929",
"created_at": "2022-09-04T14:38:40.762501Z",
"updated_at": "2022-09-04T14:38:40.762527Z",
"structure_string": "Li1 Co1 F1\n1.0\n2.537210 -0.000000 0.000000\n0.000000 2.537210 0.000000\n0.000000 0.000000 5.954826\nLi Co F\n1 1 1\ndirect\n0.000000 0.000000 0.714942 Li\n0.000000 0.000000 0.308170 Co\n0.000000 0.000000 -0.008761 F\n",
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{
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"created_at": "2022-09-04T14:36:06.236437Z",
"updated_at": "2022-09-04T14:36:06.236465Z",
"structure_string": "Ba2 Ga1 P4 H1 O14\n1.0\n4.812250 0.028956 -0.002488\n-2.024099 7.308031 0.013699\n-1.078113 -3.069548 7.975356\nBa Ga P H O\n2 1 4 1 14\ndirect\n0.144707 0.475161 0.740851 Ba\n0.855294 0.524839 0.259150 Ba\n0.000000 0.000000 0.000000 Ga\n0.456313 0.814811 0.138574 P\n0.626536 0.828159 0.624593 P\n0.373465 0.171841 0.375407 P\n0.543688 0.185189 0.861427 P\n0.000000 -0.000000 0.500000 H\n0.579978 0.041547 0.688131 O\n0.783803 0.865018 0.133452 O\n0.845956 0.850859 0.510811 O\n0.655912 0.391088 0.860140 O\n0.750815 0.792725 0.782894 O\n0.249186 0.207276 0.217106 O\n0.420022 0.958453 0.311869 O\n0.154045 0.149142 0.489190 O\n0.216198 0.134982 0.866548 O\n0.664384 0.329921 0.469050 O\n0.335617 0.670079 0.530950 O\n0.265366 0.839599 0.994158 O\n0.344089 0.608912 0.139860 O\n0.734635 0.160401 0.005842 O\n",
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},
{
"id": "jvasp-60874",
"created_at": "2022-09-04T14:35:42.540194Z",
"updated_at": "2022-09-04T14:35:42.540223Z",
"structure_string": "Na4 Cu1 As2 O8\n1.0\n4.901054 -0.038556 0.012011\n-1.661860 5.669210 0.039814\n-0.080714 -1.030143 6.905863\nNa Cu As O\n4 1 2 8\ndirect\n0.284540 0.567351 0.168271 Na\n0.715460 0.432648 0.831728 Na\n0.843402 0.747526 0.417029 Na\n0.156598 0.252474 0.582970 Na\n0.000000 0.000000 0.000000 Cu\n0.597309 0.196175 0.267480 As\n0.402691 0.803825 0.732519 As\n0.686084 0.271336 0.509123 O\n0.313916 0.728664 0.490876 O\n0.672438 0.936937 0.164603 O\n0.327562 0.063063 0.835396 O\n0.226763 0.144303 0.244183 O\n0.773236 0.855697 0.755816 O\n0.762392 0.438184 0.155952 O\n0.237608 0.561815 0.844047 O\n",
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{
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"created_at": "2022-09-04T14:38:03.136054Z",
"updated_at": "2022-09-04T14:38:03.136071Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 8.400666 -0.050049\n5.143562 0.000000 0.000000\n0.000000 -2.771390 -8.263372\nLi Mn P O\n4 4 4 16\ndirect\n0.109710 0.830560 0.987273 Li\n0.253201 0.320889 0.499424 Li\n0.609711 0.169439 0.987273 Li\n0.753202 0.679111 0.499424 Li\n0.988274 0.669873 0.247771 Mn\n0.337480 0.824780 0.735030 Mn\n0.488274 0.330126 0.247771 Mn\n0.837480 0.175220 0.735030 Mn\n0.864520 0.180018 0.369543 P\n0.728642 0.681520 0.864937 P\n0.364520 0.819982 0.369543 P\n0.228642 0.318480 0.864937 P\n0.817738 0.307429 0.511981 O\n0.715505 0.233498 0.214841 O\n0.761603 0.793060 0.711218 O\n0.695520 0.385132 0.844191 O\n0.524163 0.690485 0.351127 O\n0.386685 0.259424 0.009492 O\n0.394498 0.115532 0.400127 O\n0.024163 0.309515 0.351127 O\n0.317738 0.692571 0.511981 O\n0.215505 0.766502 0.214841 O\n0.261603 0.206940 0.711218 O\n0.195520 0.614867 0.844191 O\n0.894498 0.884468 0.400127 O\n0.076262 0.178535 0.891842 O\n0.576262 0.821464 0.891842 O\n0.886685 0.740576 0.009492 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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{
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"created_at": "2022-09-04T14:36:40.415583Z",
"updated_at": "2022-09-04T14:36:40.415607Z",
"structure_string": "Lu6 Te1 O12\n1.0\n6.323451 0.016606 0.020109\n-0.989130 6.245633 0.020108\n-0.989131 -1.161193 6.136771\nLu Te O\n6 1 12\ndirect\n0.144657 0.318692 0.609705 Lu\n0.390296 0.855343 0.681308 Lu\n0.318692 0.609704 0.144657 Lu\n0.681308 0.390296 0.855343 Lu\n0.609705 0.144657 0.318692 Lu\n0.855343 0.681308 0.390296 Lu\n0.000000 0.000000 0.000000 Te\n0.822714 0.409800 0.571021 O\n0.696662 0.037282 0.924902 O\n0.590201 0.428979 0.177286 O\n0.571021 0.822714 0.409800 O\n0.428979 0.177286 0.590201 O\n0.177286 0.590201 0.428979 O\n0.303339 0.962718 0.075099 O\n0.924902 0.696662 0.037282 O\n0.075099 0.303339 0.962718 O\n0.037282 0.924902 0.696662 O\n0.409800 0.571022 0.822714 O\n0.962718 0.075099 0.303339 O\n",
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{
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"created_at": "2022-09-04T14:37:01.658101Z",
"updated_at": "2022-09-04T14:37:01.658124Z",
"structure_string": "Mo6 O16\n1.0\n5.354411 -0.222739 8.239682\n2.275472 4.851964 8.239682\n-0.367117 -0.222739 9.819742\nMo O\n6 16\ndirect\n0.250002 0.750010 0.250003 Mo\n0.749998 0.749997 0.249990 Mo\n0.250002 0.250002 0.750011 Mo\n0.749997 0.249989 0.749998 Mo\n0.750011 0.250002 0.250003 Mo\n0.249989 0.749997 0.749998 Mo\n0.876557 0.876556 0.876558 O\n0.894467 0.894466 0.350381 O\n0.376567 0.376567 0.376568 O\n0.623432 0.623432 0.623433 O\n0.123442 0.123442 0.123443 O\n0.649619 0.105533 0.105533 O\n0.149627 0.605540 0.605541 O\n0.350380 0.894466 0.894468 O\n0.105533 0.649619 0.105533 O\n0.605540 0.605540 0.149628 O\n0.394459 0.394459 0.850373 O\n0.850372 0.394459 0.394460 O\n0.605540 0.149627 0.605541 O\n0.894466 0.350380 0.894467 O\n0.394459 0.850371 0.394460 O\n0.105533 0.105533 0.649620 O\n",
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}
]
}