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{
"id": "jvasp-114953",
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"structure_string": "Ga2 I1\n1.0\n5.728595 0.000000 0.000000\n0.000000 3.708807 0.000000\n0.000000 0.000000 5.141646\nGa I\n2 1\ndirect\n-0.033494 0.000000 0.752424 Ga\n-0.033494 0.000000 0.247577 Ga\n0.466989 0.000000 0.000000 I\n",
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{
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"structure_string": "Y1 Ga1 I4\n1.0\n-3.319514 3.319514 6.667452\n3.319514 -3.319514 6.667452\n3.319514 3.319514 -6.667452\nY Ga I\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Y\n0.250000 0.749999 0.500000 Ga\n0.669064 0.157858 0.063224 I\n0.842142 0.905365 0.511206 I\n0.394159 0.330936 0.488793 I\n0.094634 0.605840 -0.063223 I\n",
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{
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{
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"updated_at": "2022-09-04T14:38:44.254690Z",
"structure_string": "Y1 Sn1 O4\n1.0\n-2.076800 2.076800 5.567843\n2.076800 -2.076800 5.567843\n2.076800 2.076800 -5.567843\nY Sn O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Sn\n0.934319 0.434318 0.500000 O\n0.218180 0.218180 0.000000 O\n0.781819 0.781819 0.000000 O\n0.565681 0.065681 0.500000 O\n",
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{
"id": "jvasp-112890",
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"updated_at": "2022-09-04T14:38:44.247033Z",
"structure_string": "Lu4 Cu4 S8\n1.0\n3.887875 0.000000 0.000000\n0.000000 6.211080 0.000000\n-0.000000 0.000000 13.090186\nLu Cu S\n4 4 8\ndirect\n0.249804 0.746820 0.633718 Lu\n0.749803 0.753180 0.366282 Lu\n0.750195 0.246820 0.866282 Lu\n0.250196 0.253180 0.133718 Lu\n0.749623 0.366360 0.549066 Cu\n0.249624 0.133640 0.450934 Cu\n0.250376 0.866360 0.950934 Cu\n0.750375 0.633640 0.049066 Cu\n0.749820 0.516784 0.709389 S\n0.249821 0.983216 0.290611 S\n0.250179 0.016784 0.790611 S\n0.750178 0.483216 0.209389 S\n0.749788 0.988670 0.541279 S\n0.249788 0.511330 0.458721 S\n0.250211 0.488670 0.958721 S\n0.750210 0.011330 0.041279 S\n",
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{
"id": "jvasp-112855",
"created_at": "2022-09-04T14:38:44.245526Z",
"updated_at": "2022-09-04T14:38:44.245564Z",
"structure_string": "Li4 Fe4 O4 F8\n1.0\n6.313587 0.048413 0.720526\n0.552512 6.289551 0.720526\n0.001336 0.001233 5.038403\nLi Fe O F\n4 4 4 8\ndirect\n0.770894 0.597799 0.690593 Li\n0.597800 0.770893 0.190593 Li\n0.402201 0.229106 0.809408 Li\n0.229107 0.402200 0.309408 Li\n0.928910 0.071090 0.750000 Fe\n0.242023 0.757977 0.750000 Fe\n0.757978 0.242022 0.250001 Fe\n0.071091 0.928909 0.250001 Fe\n0.020542 0.190304 0.390356 O\n0.190304 0.020541 0.890356 O\n0.809696 0.979458 0.109645 O\n0.979459 0.809695 0.609645 O\n0.522814 0.715790 0.866385 F\n0.873376 0.350262 0.895592 F\n0.715791 0.522812 0.366385 F\n0.350263 0.873375 0.395592 F\n0.649738 0.126624 0.604408 F\n0.284210 0.477187 0.633616 F\n0.126625 0.649737 0.104409 F\n0.477187 0.284209 0.133616 F\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-113023",
"created_at": "2022-09-04T14:38:44.243137Z",
"updated_at": "2022-09-04T14:38:44.243155Z",
"structure_string": "Ho16 Mg4 Rh4\n1.0\n8.297116 -0.000000 4.790342\n2.765705 7.822596 4.790342\n-0.000000 -0.000000 9.580684\nHo Mg Rh\n16 4 4\ndirect\n0.812444 0.187557 0.187556 Ho\n0.958568 0.347144 0.347143 Ho\n0.347145 0.958568 0.347143 Ho\n0.347145 0.347144 0.958566 Ho\n0.347145 0.347144 0.347144 Ho\n0.565310 0.565310 0.934689 Ho\n0.934691 0.565310 0.934689 Ho\n0.565311 0.934691 0.565309 Ho\n0.934691 0.934691 0.565309 Ho\n0.934691 0.565310 0.565309 Ho\n0.812444 0.812444 0.187555 Ho\n0.187557 0.187557 0.812443 Ho\n0.812444 0.187557 0.812443 Ho\n0.187557 0.812444 0.187556 Ho\n0.187557 0.812444 0.812443 Ho\n0.565311 0.934691 0.934689 Ho\n0.579889 0.579889 0.579888 Mg\n0.579889 0.579889 0.260334 Mg\n0.579889 0.260335 0.579888 Mg\n0.260335 0.579889 0.579888 Mg\n0.141836 0.574494 0.141835 Rh\n0.141835 0.141835 0.141835 Rh\n0.141835 0.141835 0.574494 Rh\n0.574494 0.141835 0.141835 Rh\n",
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{
"id": "jvasp-112794",
"created_at": "2022-09-04T14:38:44.242384Z",
"updated_at": "2022-09-04T14:38:44.242410Z",
"structure_string": "Tl2 Mo4 Cl14 O4\n1.0\n6.935799 -0.000000 0.000000\n0.000000 8.827978 0.000000\n-0.000000 -0.000000 9.499415\nTl Mo Cl O\n2 4 14 4\ndirect\n0.500000 0.445234 -0.000000 Tl\n-0.000000 0.554766 0.500000 Tl\n-0.000000 0.177307 0.815434 Mo\n0.500000 0.822694 0.684565 Mo\n0.500000 0.822694 0.315434 Mo\n-0.000000 0.177307 0.184566 Mo\n0.761471 0.098723 -0.000000 Cl\n0.741599 0.695559 0.193878 Cl\n0.741599 0.695559 0.806121 Cl\n0.238529 0.098723 -0.000000 Cl\n0.758401 0.304441 0.693878 Cl\n0.241599 0.304441 0.693878 Cl\n-0.000000 0.407897 -0.000000 Cl\n0.261471 0.901277 0.500000 Cl\n0.241599 0.304441 0.306121 Cl\n0.258401 0.695559 0.193878 Cl\n0.758401 0.304441 0.306121 Cl\n0.500000 0.592104 0.500000 Cl\n0.738529 0.901277 0.500000 Cl\n0.258401 0.695559 0.806121 Cl\n0.500000 0.992644 0.239958 O\n0.500000 0.992644 0.760042 O\n-0.000000 0.007356 0.739958 O\n-0.000000 0.007356 0.260042 O\n",
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{
"id": "jvasp-112115",
"created_at": "2022-09-04T14:38:44.235275Z",
"updated_at": "2022-09-04T14:38:44.235300Z",
"structure_string": "Cd1 H12 C8 O4\n1.0\n3.702612 -0.144358 0.575068\n-1.034794 4.402592 -0.628361\n-0.144726 1.296573 12.330036\nCd H C O\n1 12 8 4\ndirect\n0.629415 0.562930 0.179050 Cd\n0.747809 0.852521 0.541566 H\n0.947536 0.714182 0.935931 H\n0.413177 0.737775 0.889125 H\n0.852284 0.783108 0.738319 H\n0.328515 0.819409 0.694719 H\n0.930697 0.306710 0.663349 H\n0.223863 0.884813 0.497505 H\n0.035071 0.241151 0.860565 H\n0.511176 0.273496 0.816556 H\n0.845639 0.388111 0.468923 H\n0.311303 0.411772 0.422120 H\n0.406888 0.342909 0.619714 H\n0.348616 0.013207 0.025051 C\n0.225231 0.879313 0.918219 C\n0.231461 0.108604 0.830725 C\n0.130402 0.951826 0.723657 C\n0.027525 0.017396 0.527358 C\n0.033645 0.246607 0.439848 C\n0.910272 0.112586 0.333031 C\n0.128745 0.174240 0.634405 C\n0.254841 0.836937 0.109492 O\n0.709918 0.837931 0.332173 O\n0.003938 0.288773 0.248572 O\n0.549092 0.287812 0.025939 O\n",
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{
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"structure_string": "Zr2 N2 Cl2\n1.0\n3.436807 -0.000000 -0.000000\n-1.718404 2.976362 -0.000000\n-0.000000 0.000000 11.121467\nZr N Cl\n2 2 2\ndirect\n0.000000 0.000000 0.804268 Zr\n0.000000 0.000000 0.195732 Zr\n0.666667 0.333333 0.860669 N\n0.333334 0.666665 0.139331 N\n0.333334 0.666665 0.636910 Cl\n0.666667 0.333333 0.363090 Cl\n",
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{
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"created_at": "2022-09-04T14:38:44.230383Z",
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"structure_string": "Zr4 Cu2 H10\n1.0\n4.884547 -0.003170 2.996928\n3.527681 3.378501 2.996928\n0.005428 0.002178 8.318039\nZr Cu H\n4 2 10\ndirect\n0.919602 0.919601 0.843540 Zr\n0.080399 0.080399 0.156460 Zr\n0.326393 0.326393 0.574828 Zr\n0.673608 0.673607 0.425172 Zr\n0.622043 0.622043 0.848635 Cu\n0.377958 0.377958 0.151366 Cu\n0.863426 0.863425 0.425191 H\n0.136575 0.136575 0.574809 H\n0.534656 0.534655 0.329492 H\n0.465345 0.465345 0.670509 H\n0.685081 0.685080 0.022238 H\n0.314920 0.314920 0.977762 H\n0.817000 0.817000 0.703344 H\n0.183000 0.183000 0.296656 H\n0.119270 0.119270 0.860279 H\n0.880731 0.880730 0.139722 H\n",
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{
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"created_at": "2022-09-04T14:38:44.229764Z",
"updated_at": "2022-09-04T14:38:44.229811Z",
"structure_string": "Lu3 Bi1 Ru4 O14\n1.0\n6.208672 0.000000 3.589653\n-4.142047 5.854628 0.000000\n0.006040 0.004273 7.153647\nLu Bi Ru O\n3 1 4 14\ndirect\n0.250000 0.375000 0.375000 Lu\n0.249999 0.875000 0.375000 Lu\n0.749999 0.375000 0.375000 Lu\n0.749999 0.375000 0.875000 Bi\n0.749999 0.875000 0.375000 Ru\n0.249999 0.875000 0.875001 Ru\n0.249999 0.375000 0.875000 Ru\n0.749999 0.875000 0.875000 Ru\n0.423564 0.211782 0.781876 O\n-0.000554 0.788201 0.212352 O\n-0.000553 0.211245 0.212352 O\n0.576402 0.788201 0.212352 O\n0.493657 0.538217 0.968125 O\n0.493657 0.955440 0.968125 O\n0.923597 0.961799 0.537648 O\n0.500553 0.961799 0.537648 O\n0.500553 0.538754 0.537648 O\n0.006341 0.794559 0.781876 O\n0.013529 0.506764 0.479707 O\n0.486470 0.243235 0.270294 O\n0.076435 0.538217 0.968125 O\n0.006342 0.211782 0.781876 O\n",
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]
}