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{
"id": "jvasp-21417",
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"structure_string": "Sr6 Zn2 Ir2 O12\n1.0\n6.730047 0.035891 -0.193457\n-0.200125 6.727167 -0.193457\n0.034654 0.035891 6.732738\nSr Zn Ir O\n6 2 2 12\ndirect\n0.613751 0.886249 0.249999 Sr\n0.249999 0.613752 0.886248 Sr\n0.886248 0.250000 0.613751 Sr\n0.386248 0.113752 0.750000 Sr\n0.750000 0.386248 0.113751 Sr\n0.113751 0.750000 0.386248 Sr\n0.749999 0.750000 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.093921 0.286199 0.959533 O\n0.786199 0.593921 0.459532 O\n0.540467 0.213801 0.406078 O\n0.406078 0.540467 0.213800 O\n0.213800 0.406079 0.540467 O\n0.713801 0.040467 0.906079 O\n0.906079 0.713801 0.040466 O\n0.040466 0.906079 0.713801 O\n0.459532 0.786199 0.593921 O\n0.593921 0.459533 0.786199 O\n0.959533 0.093921 0.286199 O\n0.286199 0.959533 0.093921 O\n",
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"structure_string": "Li4 Ni2 C4 O12\n1.0\n-0.000000 -7.937245 -2.782584\n-5.139959 -0.000000 -2.782584\n-0.000000 -0.000000 -5.565170\nLi Ni C O\n4 2 4 12\ndirect\n0.656339 0.911100 0.537644 Li\n0.156339 0.588900 0.698745 Li\n0.843662 0.411100 0.443984 Li\n0.343661 0.088900 0.105085 Li\n0.500000 0.500000 0.268215 Ni\n-0.000000 -0.000000 0.018216 Ni\n0.701033 0.943914 0.967284 C\n0.201033 0.556086 0.161200 C\n0.798968 0.443914 0.918317 C\n0.298967 0.056086 0.612233 C\n0.455844 0.137602 0.468575 O\n0.955844 0.362398 0.856177 O\n0.732261 0.428094 0.173979 O\n0.720187 0.535454 0.733741 O\n0.279814 0.464546 0.989382 O\n0.779814 0.035454 0.703929 O\n0.044156 0.637602 0.174419 O\n0.544156 0.862398 0.062020 O\n0.767740 0.928094 0.156239 O\n0.232261 0.071906 0.852074 O\n0.267740 0.571906 0.334333 O\n0.220187 -0.035454 0.519196 O\n",
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{
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"created_at": "2022-09-04T14:37:00.103610Z",
"updated_at": "2022-09-04T14:37:00.103643Z",
"structure_string": "Al4 Fe4 O14\n1.0\n5.665597 0.000081 3.271183\n1.888624 5.341846 3.271159\n-0.000243 -0.000203 6.542787\nAl Fe O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Al\n-0.000000 0.500001 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500001 0.500000 Al\n0.000000 0.500000 -0.000000 Fe\n0.500001 -0.000001 -0.000001 Fe\n0.000001 -0.000001 0.500000 Fe\n0.000000 -0.000000 -0.000000 Fe\n0.656699 0.093322 0.093272 O\n0.093389 0.093326 0.656653 O\n0.656682 0.656696 0.093277 O\n0.906611 0.343376 0.343361 O\n0.343347 0.906675 0.343320 O\n0.343317 0.343306 0.906723 O\n0.343301 0.906680 0.906728 O\n0.906610 0.343333 0.906721 O\n0.093390 0.656624 0.656639 O\n0.656654 0.093325 0.656680 O\n0.375037 0.374992 0.374964 O\n0.624963 0.625009 0.625036 O\n0.906611 0.906675 0.343348 O\n0.093389 0.656669 0.093278 O\n",
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{
"id": "jvasp-5539",
"created_at": "2022-09-04T14:36:45.808732Z",
"updated_at": "2022-09-04T14:36:45.808750Z",
"structure_string": "Sm8 Cl12 O2\n1.0\n4.594551 -7.957997 0.000000\n4.594551 7.957997 0.000000\n0.000000 0.000000 6.990743\nSm Cl O\n8 12 2\ndirect\n0.807135 0.192865 0.515333 Sm\n0.614269 0.807134 0.015334 Sm\n0.192865 0.385731 0.015334 Sm\n0.807134 0.614269 0.515333 Sm\n0.385731 0.192865 0.515333 Sm\n0.192865 0.807135 0.015334 Sm\n0.666667 0.333333 0.866013 Sm\n0.333333 0.666667 0.366014 Sm\n0.135726 0.271453 0.414979 Cl\n0.864274 0.728546 0.914978 Cl\n0.271453 0.135726 0.914978 Cl\n0.135726 0.864274 0.414979 Cl\n0.022431 0.511215 0.725823 Cl\n0.511215 0.488784 0.225823 Cl\n0.977569 0.488784 0.225823 Cl\n0.864274 0.135726 0.914978 Cl\n0.488784 0.511215 0.725823 Cl\n0.511215 0.022431 0.225823 Cl\n0.488784 0.977569 0.725823 Cl\n0.728546 0.864274 0.414979 Cl\n0.333333 0.666667 0.021879 O\n0.666667 0.333333 0.521878 O\n",
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{
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"created_at": "2022-09-04T14:36:42.871840Z",
"updated_at": "2022-09-04T14:36:42.871867Z",
"structure_string": "La4 Pt4 O14\n1.0\n-5.298778 5.298778 -0.000000\n5.298778 -0.000000 5.298778\n5.298778 5.298778 0.000000\nLa Pt O\n4 4 14\ndirect\n0.625000 0.750000 0.125000 La\n0.125000 0.250000 0.125000 La\n0.125000 0.750000 0.125000 La\n0.125000 0.250000 0.625000 La\n0.625000 0.250000 0.125000 Pt\n0.625000 0.250000 0.625000 Pt\n0.625000 0.750000 0.625000 Pt\n0.125000 0.750000 0.625000 Pt\n0.957427 0.914853 0.542574 O\n0.542574 0.085147 0.957427 O\n0.957427 0.500000 0.957427 O\n0.250000 0.500000 0.250000 O\n0.542574 0.500000 0.542574 O\n0.292574 0.000000 0.707427 O\n0.292574 0.000000 0.292574 O\n0.707427 0.000000 0.707427 O\n0.000000 0.000000 0.000000 O\n0.542574 0.500000 0.957427 O\n0.707427 0.414853 0.292574 O\n0.707427 0.000000 0.292574 O\n0.957427 0.500000 0.542574 O\n0.292574 0.585147 0.707427 O\n",
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{
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"created_at": "2022-09-04T14:36:44.676727Z",
"updated_at": "2022-09-04T14:36:44.676753Z",
"structure_string": "Y4 Fe4 O14\n1.0\n6.056920 0.000172 3.497119\n2.019130 5.710500 3.497129\n0.000160 0.000124 6.993962\nY Fe O\n4 4 14\ndirect\n0.500001 -0.000000 0.500000 Y\n-0.000000 0.499999 0.500001 Y\n0.499999 0.500001 0.000000 Y\n0.500000 0.500000 0.500000 Y\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000001 -0.000001 0.500000 Fe\n-0.000000 0.000000 -0.000000 Fe\n0.672870 0.077125 0.077130 O\n0.077132 0.077123 0.672869 O\n0.672861 0.672864 0.077126 O\n0.922874 0.327134 0.327139 O\n0.327131 0.922883 0.327132 O\n0.327139 0.327135 0.922874 O\n0.327130 0.922875 0.922870 O\n0.922868 0.327133 0.922869 O\n0.077127 0.672864 0.672861 O\n0.672869 0.077117 0.672868 O\n0.375007 0.375006 0.375001 O\n0.624993 0.624994 0.624999 O\n0.922871 0.922874 0.327131 O\n0.077132 0.672866 0.077132 O\n",
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{
"id": "jvasp-29731",
"created_at": "2022-09-04T14:36:44.440657Z",
"updated_at": "2022-09-04T14:36:44.440684Z",
"structure_string": "Zn2 B4 H16\n1.0\n4.265517 0.000000 0.000000\n0.000000 5.184536 0.000000\n0.000000 0.000000 8.172818\nZn B H\n2 4 16\ndirect\n0.000000 0.287479 0.009592 Zn\n0.000000 0.712522 0.509592 Zn\n0.500000 0.930359 0.472718 B\n0.000000 0.542123 0.246103 B\n0.000000 0.457878 0.746103 B\n0.500000 0.069641 0.972718 B\n0.720946 0.971820 0.570515 H\n0.000000 0.584931 0.875742 H\n0.500000 0.709404 0.420415 H\n0.500000 0.914615 0.863252 H\n0.247082 0.513238 0.677937 H\n0.500000 0.085385 0.363252 H\n0.000000 0.777058 0.256324 H\n0.000000 0.415070 0.375742 H\n0.247082 0.486763 0.177937 H\n0.279055 0.971820 0.570515 H\n0.000000 0.222942 0.756324 H\n0.752919 0.486763 0.177937 H\n0.720946 0.028181 0.070515 H\n0.500000 0.290597 0.920416 H\n0.279055 0.028181 0.070515 H\n0.752919 0.513238 0.677937 H\n",
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{
"id": "jvasp-55621",
"created_at": "2022-09-04T14:36:45.258648Z",
"updated_at": "2022-09-04T14:36:45.258674Z",
"structure_string": "K6 Na2 Fe2 Cl12\n1.0\n8.253265 0.002951 -0.327209\n-0.340557 8.246237 -0.327209\n0.002830 0.002951 8.259749\nK Na Fe Cl\n6 2 2 12\ndirect\n0.371179 0.750000 0.128821 K\n0.128821 0.371179 0.750000 K\n0.750000 0.128821 0.371179 K\n0.628821 0.250000 0.871179 K\n0.871179 0.628821 0.250000 K\n0.250000 0.871179 0.628821 K\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.210514 0.544712 0.419905 Cl\n0.955289 0.289486 0.080094 Cl\n0.080094 0.955289 0.289486 Cl\n0.289486 0.080094 0.955288 Cl\n0.789486 0.455288 0.580095 Cl\n0.580095 0.789486 0.455288 Cl\n0.455288 0.580095 0.789486 Cl\n0.044712 0.710514 0.919906 Cl\n0.919906 0.044712 0.710514 Cl\n0.710514 0.919906 0.044712 Cl\n0.419906 0.210514 0.544712 Cl\n0.544712 0.419906 0.210514 Cl\n",
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{
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"structure_string": "Ba2 Na4 Si4 O12\n1.0\n0.000000 5.735304 0.007988\n4.797819 0.000000 0.000000\n0.000000 -0.304633 -11.464334\nBa Na Si O\n2 4 4 12\ndirect\n0.251871 0.742289 0.096816 Ba\n0.748129 0.242289 0.903183 Ba\n0.181330 0.756007 0.485277 Na\n0.705195 0.753645 0.678938 Na\n0.818669 0.256007 0.514723 Na\n0.294805 0.253645 0.321062 Na\n0.222216 0.803713 0.804752 Si\n0.323422 0.296424 0.651739 Si\n0.777784 0.303712 0.195247 Si\n0.676578 0.796424 0.348260 Si\n0.176483 0.130277 0.756147 O\n0.224377 0.234366 0.521233 O\n0.601006 0.251021 0.677479 O\n0.012931 0.225799 0.127228 O\n0.823517 0.630277 0.243852 O\n0.398994 0.751021 0.322521 O\n0.460112 0.773153 0.883335 O\n0.775623 0.734366 0.478766 O\n0.746016 0.132307 0.321392 O\n0.253984 0.632307 0.678607 O\n0.987069 0.725799 0.872771 O\n0.539888 0.273153 0.116665 O\n",
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{
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"created_at": "2022-09-04T14:36:46.284914Z",
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"structure_string": "H12 C8 S2\n1.0\n5.112882 0.002314 0.000671\n-0.006478 5.720053 -1.440258\n0.000896 -0.023090 6.999993\nH C S\n12 8 2\ndirect\n0.653614 0.029666 0.861365 H\n0.653714 0.394721 0.109553 H\n0.902134 0.177433 0.424694 H\n0.390037 0.057895 0.170818 H\n0.916758 0.057858 0.170906 H\n0.653704 0.529684 0.361366 H\n0.404683 0.177350 0.424622 H\n0.404594 0.677334 0.924628 H\n0.902048 0.677430 0.924709 H\n0.389950 0.557871 0.670824 H\n0.916668 0.557832 0.670925 H\n0.653628 0.894693 0.609553 H\n0.903360 0.726969 0.781725 C\n0.403458 0.726960 0.781682 C\n0.653526 0.857376 0.756238 C\n0.903448 0.226987 0.281716 C\n0.403546 0.226980 0.281678 C\n0.653614 0.357398 0.256237 C\n0.153605 0.360734 0.274359 C\n0.153519 0.860713 0.774359 C\n0.153832 0.637163 0.268301 S\n0.153747 0.137138 0.768289 S\n",
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"created_at": "2022-09-04T14:36:51.740459Z",
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"structure_string": "Ba6 B4 O12\n1.0\n4.806374 2.774961 4.471811\n-4.806374 2.774961 4.471811\n-0.000000 -5.549923 4.471811\nBa B O\n6 4 12\ndirect\n0.099073 0.750000 0.400928 Ba\n0.250000 0.599072 0.900927 Ba\n0.599072 0.900927 0.250000 Ba\n0.400928 0.099073 0.750000 Ba\n0.750000 0.400928 0.099072 Ba\n0.900927 0.250000 0.599072 Ba\n0.885899 0.885899 0.885899 B\n0.614100 0.614100 0.614100 B\n0.114100 0.114100 0.114100 B\n0.385900 0.385900 0.385900 B\n0.529165 0.237941 0.392353 O\n0.892353 0.737941 0.029165 O\n0.762059 0.607647 0.470835 O\n0.607647 0.470835 0.762059 O\n0.392353 0.529165 0.237941 O\n0.029166 0.892353 0.737941 O\n0.237941 0.392353 0.529165 O\n0.470835 0.762059 0.607647 O\n0.262059 0.970834 0.107647 O\n0.737941 0.029166 0.892353 O\n0.107647 0.262059 0.970834 O\n0.970834 0.107647 0.262059 O\n",
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"updated_at": "2022-09-04T14:36:51.666212Z",
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}
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}