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{
"id": "jvasp-89367",
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"structure_string": "Ba2 Li2 Zr4 F22\n1.0\n7.090006 0.008867 -3.946607\n-4.642118 6.651750 -0.221210\n0.006188 -0.008867 8.114422\nBa Li Zr F\n2 2 4 22\ndirect\n-0.000000 0.804910 0.804910 Ba\n-0.000000 0.195089 0.195089 Ba\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.852751 0.214249 0.638502 Zr\n0.424254 0.638502 0.785751 Zr\n0.147249 0.785751 0.361498 Zr\n0.575746 0.361498 0.214249 Zr\n0.434612 0.489666 0.275153 F\n0.278657 0.811193 0.677563 F\n0.866370 0.467463 0.188806 F\n0.866370 0.677564 0.398907 F\n0.565388 0.840542 0.055055 F\n0.785488 0.944945 0.510334 F\n0.500000 0.500000 -0.000000 F\n0.071945 0.188958 0.882986 F\n0.721343 0.398907 0.532537 F\n0.500000 -0.000000 0.500000 F\n0.214512 0.724847 0.159458 F\n0.785488 0.275153 0.840541 F\n0.133630 0.532537 0.811193 F\n0.305972 0.117014 0.188958 F\n0.278657 0.601093 0.467463 F\n0.721343 0.188807 0.322437 F\n0.214513 0.055055 0.489666 F\n0.565389 0.510334 0.724846 F\n0.694029 0.882986 0.811042 F\n0.133630 0.322436 0.601093 F\n0.928056 0.811042 0.117013 F\n0.434612 0.159458 0.944945 F\n",
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{
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"structure_string": "Cu6 H4 C4 O16\n1.0\n4.930183 0.000000 -0.135691\n0.000000 5.872879 0.000000\n0.163218 0.000000 10.505212\nCu H C O\n6 4 4 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.752005 0.001940 0.415292 Cu\n0.247995 0.501940 0.084708 Cu\n0.247995 -0.001940 0.584708 Cu\n0.752005 0.498060 0.915292 Cu\n0.000000 0.500000 0.500000 Cu\n0.198799 0.700621 0.871233 H\n0.801201 0.200621 0.628767 H\n0.801201 0.299380 0.128767 H\n0.198798 0.799380 0.371233 H\n0.666565 0.806048 0.184251 C\n0.333435 0.193952 0.815749 C\n0.666565 0.693952 0.684251 C\n0.333434 0.306048 0.315749 C\n0.560975 0.797077 0.296018 O\n0.439025 0.297077 0.203982 O\n0.454283 0.280617 0.914476 O\n0.545717 0.780617 0.585524 O\n0.545716 0.719383 0.085524 O\n0.454283 0.219383 0.414476 O\n0.899732 0.593884 0.671056 O\n0.899732 0.906117 0.171056 O\n0.076953 0.689125 0.945319 O\n0.923047 0.189125 0.554681 O\n0.923047 0.310875 0.054681 O\n0.076953 0.810875 0.445319 O\n0.439025 0.202923 0.703982 O\n0.560975 0.702923 0.796018 O\n0.100268 0.093883 0.828944 O\n0.100267 0.406117 0.328944 O\n",
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{
"id": "jvasp-89494",
"created_at": "2022-09-04T14:35:45.835212Z",
"updated_at": "2022-09-04T14:35:45.835238Z",
"structure_string": "Tm6 Mn6 O18\n1.0\n6.077632 0.000000 0.000000\n-3.038817 5.263384 0.000000\n0.000000 0.000000 11.415452\nTm Mn O\n6 6 18\ndirect\n0.666666 0.333333 0.727558 Tm\n0.000000 0.000000 0.773282 Tm\n0.333332 0.666667 0.227558 Tm\n0.666666 0.333333 0.227558 Tm\n0.000000 0.000000 0.273282 Tm\n0.333332 0.666667 0.727558 Tm\n0.333502 0.333503 0.497198 Mn\n0.666497 -0.000000 0.497198 Mn\n0.333503 -0.000000 0.997198 Mn\n-0.000000 0.333503 0.997198 Mn\n0.666496 0.666497 0.997198 Mn\n-0.000001 0.666497 0.497198 Mn\n0.304821 0.304821 0.661983 O\n0.638631 -0.000000 0.332772 O\n-0.000001 0.695178 0.661983 O\n0.333332 0.666667 0.017925 O\n0.304822 -0.000000 0.161983 O\n0.000000 0.000000 0.972890 O\n0.695177 0.695178 0.161983 O\n-0.000001 0.638631 0.332772 O\n0.361368 -0.000000 0.832772 O\n-0.000000 0.304821 0.161983 O\n0.333332 0.666667 0.517924 O\n-0.000000 0.361368 0.832772 O\n0.695178 -0.000000 0.661983 O\n0.000000 0.000000 0.472890 O\n0.638631 0.638631 0.832772 O\n0.666666 0.333333 0.517924 O\n0.361368 0.361368 0.332772 O\n0.666666 0.333333 0.017925 O\n",
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{
"id": "jvasp-98409",
"created_at": "2022-09-04T14:35:46.195832Z",
"updated_at": "2022-09-04T14:35:46.195849Z",
"structure_string": "H16 Pt2 O12\n1.0\n4.172300 3.641201 -0.274649\n-4.168142 3.643803 0.237419\n0.023327 -0.025676 7.329792\nH Pt O\n16 2 12\ndirect\n0.028843 0.025707 0.525787 H\n0.275694 0.121931 0.256949 H\n0.895105 0.376167 0.152626 H\n0.174142 0.527799 0.160208 H\n0.608335 0.116676 0.664657 H\n0.493045 0.832138 0.673872 H\n0.121039 0.591474 0.830443 H\n0.777534 0.400148 0.897273 H\n0.583967 0.226429 0.389038 H\n0.459715 0.547352 0.007183 H\n0.535510 0.473469 0.502143 H\n0.839315 0.748081 0.001552 H\n0.870943 0.832013 0.297405 H\n0.063565 0.051380 -0.020661 H\n0.157811 0.156851 0.727630 H\n0.381125 0.782534 0.412931 H\n0.009652 0.499355 0.502454 Pt\n0.510769 0.007228 0.005847 Pt\n0.602584 -0.035931 0.743404 O\n0.960720 0.573990 0.760263 O\n0.684465 0.354984 0.011796 O\n0.359676 0.656013 0.514864 O\n0.334393 0.661352 0.011438 O\n0.207007 0.146900 0.919309 O\n0.833407 0.885733 0.080620 O\n0.886382 0.815392 0.434789 O\n0.137402 0.178073 0.581608 O\n0.055631 0.405005 0.235962 O\n0.651117 0.338295 0.497808 O\n0.427507 0.046218 0.266541 O\n",
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{
"id": "jvasp-89850",
"created_at": "2022-09-04T14:35:45.354438Z",
"updated_at": "2022-09-04T14:35:45.354460Z",
"structure_string": "Cr2 H16 N4 O8\n1.0\n5.557236 3.177008 -2.622049\n-5.557236 3.177008 2.622049\n-0.002215 0.000000 7.691763\nCr H N O\n2 16 4 8\ndirect\n0.827214 0.172787 0.785957 Cr\n0.172786 0.827214 0.214042 Cr\n0.918384 0.343647 0.195745 H\n0.656353 0.081617 0.195745 H\n0.081617 0.656354 0.804254 H\n0.858870 0.141130 0.410330 H\n0.141130 0.858871 0.589669 H\n0.920103 0.079898 0.249483 H\n0.079897 0.920103 0.750517 H\n0.343647 0.918384 0.804254 H\n0.393178 0.341876 0.179903 H\n0.341876 0.393179 0.820096 H\n0.606822 0.658125 0.820096 H\n0.588693 0.411308 0.394358 H\n0.411307 0.588693 0.605642 H\n0.436965 0.563036 0.264761 H\n0.563036 0.436965 0.735238 H\n0.658125 0.606822 0.179903 H\n0.839492 0.160508 0.263441 N\n0.160508 0.839493 0.736558 N\n0.519116 0.480885 0.253876 N\n0.480885 0.519116 0.746124 N\n0.927615 0.644956 0.078717 O\n0.680734 0.319267 0.641064 O\n0.319266 0.680734 0.358935 O\n0.909030 0.090971 0.660717 O\n0.090970 0.909030 0.339282 O\n0.072386 0.355045 0.921283 O\n0.644956 0.927615 0.921283 O\n0.355044 0.072386 0.078717 O\n",
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{
"id": "jvasp-26017",
"created_at": "2022-09-04T14:38:35.184401Z",
"updated_at": "2022-09-04T14:38:35.184432Z",
"structure_string": "Ba6 Er2 Ru4 O18\n1.0\n2.954868 -5.117982 -0.000000\n2.954868 5.117982 0.000000\n0.000000 0.000000 14.445867\nBa Er Ru O\n6 2 4 18\ndirect\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.093654 Ba\n0.666667 0.333333 0.593654 Ba\n0.666667 0.333333 0.906347 Ba\n0.333333 0.666667 0.406346 Ba\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.333333 0.666667 0.664046 Ru\n0.666667 0.333333 0.164046 Ru\n0.666667 0.333333 0.335954 Ru\n0.333333 0.666667 0.835954 Ru\n0.648496 0.824248 0.912503 O\n0.351505 0.175753 0.412503 O\n0.824247 0.175753 0.087497 O\n0.824248 0.648496 0.412503 O\n0.824247 0.175753 0.412503 O\n0.175753 0.351505 0.587498 O\n0.648496 0.824248 0.587498 O\n0.351505 0.175753 0.087497 O\n0.981582 0.490792 0.250000 O\n0.175753 0.824247 0.587498 O\n0.509209 0.490791 0.250000 O\n0.490792 0.981582 0.750000 O\n0.018419 0.509209 0.750000 O\n0.175753 0.824247 0.912503 O\n0.509209 0.018419 0.250000 O\n0.490791 0.509209 0.750000 O\n0.824248 0.648496 0.087497 O\n0.175753 0.351505 0.912503 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.604547Z",
"structure_string": "Sr6 Mn6 O18\n1.0\n5.462476 0.000000 -0.000000\n-2.731238 4.730642 -0.000000\n0.000000 -0.000000 13.483434\nSr Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666667 0.409800 Sr\n0.666667 0.333333 0.590200 Sr\n0.666667 0.333333 0.909800 Sr\n0.333333 0.666667 0.090200 Sr\n0.333333 0.666667 0.843942 Mn\n0.666667 0.333333 0.156058 Mn\n0.666667 0.333333 0.343942 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.656058 Mn\n0.164324 0.835676 0.581879 O\n0.835677 0.164324 0.081879 O\n0.671353 0.835676 0.918121 O\n0.164324 0.328647 0.918121 O\n0.164324 0.835676 0.918121 O\n0.671353 0.835676 0.581879 O\n0.164324 0.328647 0.581879 O\n0.328647 0.164324 0.418121 O\n0.972457 0.486228 0.250000 O\n0.835677 0.164324 0.418121 O\n0.027543 0.513772 0.750000 O\n0.486228 0.972456 0.750000 O\n0.486228 0.513772 0.750000 O\n0.835676 0.671353 0.081879 O\n0.513773 0.027543 0.250000 O\n0.513772 0.486228 0.250000 O\n0.835676 0.671353 0.418121 O\n0.328647 0.164324 0.081879 O\n",
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{
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"structure_string": "Y2 Ni6 Se4 Cl2 O16\n1.0\n0.000000 6.842299 -0.000185\n6.289698 0.000000 0.000000\n0.000000 -0.000511 -9.436107\nY Ni Se Cl O\n2 6 4 2 16\ndirect\n0.261962 0.750000 0.750000 Y\n0.738038 0.250000 0.250000 Y\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.208590 0.250000 0.250000 Ni\n0.791410 0.750000 0.750000 Ni\n0.000000 0.000000 0.500000 Ni\n0.592412 0.750000 0.437450 Se\n0.407588 0.250000 0.562550 Se\n0.407585 0.250000 0.937451 Se\n0.592415 0.750000 0.062549 Se\n0.173116 0.750000 0.250002 Cl\n0.826885 0.250000 0.749998 Cl\n0.250551 0.034687 0.588106 O\n0.250551 0.465313 0.588106 O\n0.749450 0.534687 0.088105 O\n0.015270 0.250000 0.389916 O\n0.984730 0.750000 0.610084 O\n0.749450 0.965314 0.088105 O\n0.250550 0.034687 0.911895 O\n0.984730 0.750000 0.889915 O\n0.749449 0.965313 0.411894 O\n0.749449 0.534687 0.411894 O\n0.250550 0.465314 0.911895 O\n0.425976 0.250000 0.378875 O\n0.574024 0.750000 0.878876 O\n0.425976 0.250000 0.121123 O\n0.015271 0.250000 0.110085 O\n0.574024 0.750000 0.621125 O\n",
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{
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"updated_at": "2022-09-04T14:38:31.732353Z",
"structure_string": "Li6 Ti1 Ni7 O16\n1.0\n5.836828 -0.076095 2.649463\n1.583983 6.046062 1.552852\n0.010520 -0.055767 7.721437\nLi Ti Ni O\n6 1 7 16\ndirect\n0.175066 0.319666 0.440110 Li\n0.945642 0.548323 0.196191 Li\n0.559572 0.934147 0.312051 Li\n0.456958 0.048775 0.682226 Li\n0.055617 0.455040 0.806320 Li\n0.670862 0.824870 0.933157 Li\n0.006541 0.020977 0.000531 Ti\n0.374281 0.619699 0.873152 Ni\n0.748885 0.251430 0.752727 Ni\n0.119656 0.871076 0.627955 Ni\n0.505139 0.501192 0.497679 Ni\n0.874748 0.120608 0.376658 Ni\n0.247190 0.750573 0.255391 Ni\n0.615832 0.370464 0.128056 Ni\n0.793402 0.988951 0.660409 O\n0.051404 0.731589 0.889490 O\n0.433033 0.363860 0.755269 O\n0.445070 0.771282 0.593079 O\n0.830525 0.385401 0.465745 O\n0.928158 0.858531 0.264061 O\n0.082037 0.152108 0.724604 O\n0.677485 0.082748 0.034731 O\n0.550377 0.234600 0.392846 O\n0.567875 0.644972 0.238934 O\n0.954057 0.289102 0.087396 O\n0.193251 0.004965 0.371643 O\n0.289147 0.491480 0.160767 O\n0.688803 0.505866 0.869554 O\n0.183408 0.593031 0.531842 O\n0.339836 0.886369 0.959073 O\n",
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{
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{
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}