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{
"id": "jvasp-31671",
"created_at": "2022-09-04T14:37:11.903154Z",
"updated_at": "2022-09-04T14:37:11.903179Z",
"structure_string": "Li4 B4 H16\n1.0\n4.379227 -0.000000 0.000000\n-0.000000 6.643383 0.000000\n0.000000 0.000000 6.906875\nLi B H\n4 4 16\ndirect\n0.250000 0.111939 0.160326 Li\n0.750001 0.888061 0.839673 Li\n0.750001 0.611938 0.339674 Li\n0.250000 0.388061 0.660326 Li\n0.250000 0.435801 0.300248 B\n0.750001 0.564198 0.699751 B\n0.750001 0.935801 0.199752 B\n0.250000 0.064199 0.800247 B\n0.750001 0.719943 0.603052 H\n0.250000 0.280056 0.396948 H\n0.250000 0.582573 0.407853 H\n0.750001 0.417427 0.592147 H\n0.750001 0.082573 0.092147 H\n0.250000 0.917426 0.907852 H\n0.024939 0.435939 0.195033 H\n0.975062 0.564060 0.804966 H\n0.975062 0.935939 0.304966 H\n0.475062 0.064061 0.695033 H\n0.750001 0.780056 0.103052 H\n0.475062 0.435939 0.195033 H\n0.024939 0.064061 0.695033 H\n0.524939 0.935939 0.304966 H\n0.524939 0.564060 0.804966 H\n0.250000 0.219944 0.896947 H\n",
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{
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"created_at": "2022-09-04T14:37:06.566811Z",
"updated_at": "2022-09-04T14:37:06.566832Z",
"structure_string": "Li4 Fe3 Cu1 O8\n1.0\n5.737081 -0.001054 -0.001668\n-2.867706 4.968949 0.001575\n-2.867153 -1.656265 4.699649\nLi Fe Cu O\n4 3 1 8\ndirect\n0.500105 0.000014 0.500020 Li\n0.499959 0.500000 0.500001 Li\n0.000029 0.500001 0.500002 Li\n0.000071 0.999987 0.499981 Li\n0.500044 0.000001 0.000000 Fe\n0.500048 0.500000 0.000004 Fe\n0.000046 0.500002 -0.000002 Fe\n0.000049 0.000000 0.000000 Cu\n0.482649 0.741302 0.223913 O\n0.498071 0.749007 0.774461 O\n0.974587 0.250987 0.225531 O\n0.974582 0.723581 0.225512 O\n0.025510 0.276420 0.774489 O\n0.025518 0.749023 0.774475 O\n0.502021 0.250986 0.225536 O\n0.517448 0.258699 0.776088 O\n",
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{
"id": "jvasp-45292",
"created_at": "2022-09-04T14:38:33.404282Z",
"updated_at": "2022-09-04T14:38:33.404311Z",
"structure_string": "Hg2 B8 O14\n1.0\n4.220908 0.000000 0.000000\n0.000000 4.421792 0.000000\n0.000000 0.000000 10.762491\nHg B O\n2 8 14\ndirect\n0.404283 0.184354 0.500000 Hg\n0.904284 0.815645 0.000000 Hg\n0.408692 0.325923 0.879792 B\n0.928984 0.173645 0.248875 B\n0.428984 0.826354 0.251125 B\n0.908693 0.674077 0.620208 B\n0.908693 0.674077 0.379792 B\n0.408692 0.325923 0.120208 B\n0.928984 0.173645 0.751125 B\n0.428984 0.826354 0.748875 B\n0.016408 0.772452 0.500000 O\n0.516408 0.227548 0.000000 O\n0.573517 0.134489 0.222115 O\n0.073517 0.865511 0.277885 O\n0.073517 0.865511 0.722115 O\n0.573517 0.134489 0.777885 O\n0.570173 0.729478 0.365299 O\n0.980874 0.354506 0.359397 O\n0.980874 0.354506 0.640603 O\n0.480874 0.645494 0.859397 O\n0.070173 0.270521 0.865299 O\n0.070173 0.270521 0.134701 O\n0.480874 0.645494 0.140603 O\n0.570173 0.729478 0.634701 O\n",
"nsites": 24,
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{
"id": "jvasp-103784",
"created_at": "2022-09-04T14:37:03.113759Z",
"updated_at": "2022-09-04T14:37:03.113792Z",
"structure_string": "H8 C8 O1\n1.0\n3.892773 0.018714 -0.270524\n-1.829326 5.100359 -2.213079\n0.001850 -0.095382 7.197318\nH C O\n8 8 1\ndirect\n0.259994 0.165315 0.216383 H\n0.357020 0.769983 0.963491 H\n0.616898 0.212061 0.811512 H\n0.878956 0.606500 0.872767 H\n0.831008 0.025565 0.891011 H\n0.729615 0.636048 0.587081 H\n0.839662 0.415094 0.237613 H\n0.150961 0.385832 0.565231 H\n0.140565 0.047405 0.296575 C\n0.931324 0.026684 0.601530 C\n0.053245 0.773328 0.201770 C\n0.114226 0.640111 0.986299 C\n0.903728 0.627639 0.308217 C\n0.866349 0.160328 0.815903 C\n0.078684 0.172230 0.493666 C\n0.844846 0.753342 0.505914 C\n0.170824 0.394297 0.944476 O\n",
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{
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"created_at": "2022-09-04T14:36:13.042941Z",
"updated_at": "2022-09-04T14:36:13.042969Z",
"structure_string": "Zn2 H12 C4 N8 O8\n1.0\n6.193585 0.000000 -2.295582\n0.000000 5.037858 0.000000\n0.247348 0.000000 9.027577\nZn H C N O\n2 12 4 8 8\ndirect\n0.012890 0.779398 0.746237 Zn\n0.012890 0.220602 0.246237 Zn\n0.511509 0.937530 0.089633 H\n0.511509 0.062470 0.589633 H\n0.386012 0.004713 0.794347 H\n0.386012 0.995287 0.294347 H\n0.249122 0.174481 0.892610 H\n0.249122 0.825519 0.392610 H\n0.617534 0.579830 0.348241 H\n0.617534 0.420170 0.848241 H\n0.880065 0.353035 0.565044 H\n0.880065 0.646965 0.065044 H\n0.685460 0.482251 0.627717 H\n0.685460 0.517750 0.127717 H\n0.826075 0.103119 0.924853 C\n0.826075 0.896881 0.424853 C\n0.313351 0.606433 0.029513 C\n0.313351 0.393568 0.529514 C\n0.809310 0.526057 0.585647 N\n0.399846 0.841960 -0.000356 N\n0.399846 0.158041 0.499645 N\n0.290215 -0.012223 0.863430 N\n0.290215 0.012223 0.363429 N\n0.723315 0.670893 0.444451 N\n0.723315 0.329107 0.944451 N\n0.809310 0.473943 0.085647 N\n0.972725 0.003775 0.041010 O\n0.972725 0.996225 0.541010 O\n0.407343 0.511164 0.657736 O\n0.764718 0.004806 0.287974 O\n0.149106 0.488329 0.421918 O\n0.149106 0.511671 0.921918 O\n0.407343 0.488836 0.157735 O\n0.764718 -0.004806 0.787974 O\n",
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{
"id": "jvasp-103952",
"created_at": "2022-09-04T14:36:58.655424Z",
"updated_at": "2022-09-04T14:36:58.655450Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.810701 0.016563 -0.196777\n1.543921 4.366616 0.744903\n-1.014242 0.165129 9.651318\nHf H C O\n1 8 6 4\ndirect\n0.326782 0.827966 0.317560 Hf\n0.793514 0.328228 0.904972 H\n0.433010 0.186250 0.923299 H\n0.275968 0.881316 0.863449 H\n0.939103 0.704258 0.847802 H\n0.501329 0.207980 0.676290 H\n0.999473 0.343450 0.633095 H\n0.997971 0.889702 0.609429 H\n0.493829 0.743306 0.656343 H\n0.512542 0.389583 0.932193 C\n0.225266 0.679816 0.831827 C\n0.240819 0.693222 0.674278 C\n0.265918 0.435043 0.460703 C\n0.248671 0.404704 0.617667 C\n0.570648 0.400273 0.088788 C\n0.378410 0.643757 0.126846 O\n0.330879 0.151916 0.421266 O\n0.912407 0.658608 0.369995 O\n0.798861 0.159534 0.176221 O\n",
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{
"id": "jvasp-116501",
"created_at": "2022-09-04T14:38:42.399150Z",
"updated_at": "2022-09-04T14:38:42.399173Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.834096 0.073740 -0.028384\n1.131139 11.751220 1.137796\n0.053786 -0.046575 5.030816\nLi Mn O\n6 4 10\ndirect\n0.899881 0.200007 0.299995 Li\n0.399946 0.200002 0.800003 Li\n0.303749 0.392234 0.092794 Li\n0.496235 0.007773 0.507216 Li\n0.701828 0.596383 0.900323 Li\n0.098233 0.803623 0.699665 Li\n0.996734 0.006220 0.992473 Mn\n0.600916 0.798159 0.201280 Mn\n0.803280 0.393778 0.607538 Mn\n0.199147 0.601839 0.398712 Mn\n0.053952 0.891469 0.328910 O\n0.455152 0.088867 0.141360 O\n0.344848 0.311129 0.458651 O\n0.844753 0.310689 0.922644 O\n0.955224 0.089311 0.677375 O\n0.250409 0.498976 0.721112 O\n0.549603 0.901021 0.878886 O\n0.651066 0.697411 0.534272 O\n0.148970 0.702584 0.065724 O\n0.746103 0.508528 0.271087 O\n",
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{
"id": "jvasp-103919",
"created_at": "2022-09-04T14:37:03.540404Z",
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"structure_string": "Zn1 H10 C7 O4\n1.0\n3.894466 -0.249180 -0.520560\n-1.490020 4.498564 -0.001907\n-0.393737 0.143565 10.778183\nZn H C O\n1 10 7 4\ndirect\n0.156046 0.121790 0.186327 Zn\n0.440591 0.244354 0.553004 H\n0.374722 0.305380 0.788915 H\n0.833180 0.321954 0.839432 H\n0.071985 0.777161 0.707503 H\n0.614810 0.758085 0.656397 H\n0.573358 0.844550 0.879616 H\n0.019864 0.851149 0.932476 H\n0.704362 0.700805 0.426657 H\n0.160602 0.719157 0.484198 H\n0.889821 0.248876 0.610018 H\n0.827044 0.352036 0.353053 C\n0.869515 0.562636 0.462410 C\n0.733926 0.396253 0.578665 C\n0.779964 0.617204 0.686846 C\n0.667575 0.461247 0.807632 C\n0.727759 0.695951 0.911830 C\n0.605429 0.576943 0.034763 C\n0.717811 0.753113 0.132918 O\n0.081928 0.431143 0.286288 O\n0.537991 0.106048 0.330325 O\n0.373857 0.302588 0.034975 O\n",
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{
"id": "jvasp-112741",
"created_at": "2022-09-04T14:38:42.733368Z",
"updated_at": "2022-09-04T14:38:42.733385Z",
"structure_string": "Li4 Co2 Cu2 O8\n1.0\n3.634937 0.000328 -1.609577\n1.345327 7.234159 -1.869792\n0.068214 -0.037254 5.064207\nLi Co Cu O\n4 2 2 8\ndirect\n0.751557 0.874236 0.377290 Li\n0.751599 0.374229 0.877367 Li\n0.499497 0.750238 0.749266 Li\n0.499600 0.250193 0.249427 Li\n0.000390 0.499838 0.500588 Co\n0.000387 -0.000168 0.000574 Co\n0.249687 0.625162 0.124531 Cu\n0.249695 0.125168 0.624557 Cu\n0.015705 0.242114 0.273575 O\n0.015681 0.742119 0.773532 O\n0.483295 0.008325 0.974968 O\n0.483297 0.508311 0.474959 O\n0.225783 0.887107 0.338644 O\n0.225782 0.387139 0.838675 O\n0.774028 0.612993 0.161034 O\n0.774016 0.113002 0.661020 O\n",
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{
"id": "jvasp-101944",
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"updated_at": "2022-09-04T14:37:07.663589Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.800346 0.081217 -0.415425\n1.498155 4.377823 0.698109\n-1.090894 -0.080652 9.726341\nHf H C O\n1 8 6 4\ndirect\n0.297451 0.827442 0.312512 Hf\n0.827036 0.373093 0.923253 H\n0.486271 0.198419 0.903715 H\n0.284416 0.900736 0.860912 H\n0.951187 0.717088 0.834786 H\n0.519684 0.220729 0.671856 H\n0.011868 0.350346 0.627149 H\n0.001955 0.900185 0.602665 H\n0.504028 0.756913 0.655804 H\n0.531550 0.409638 0.929697 C\n0.240008 0.695886 0.825866 C\n0.251505 0.705585 0.669954 C\n0.253492 0.439429 0.455688 C\n0.257479 0.414757 0.612395 C\n0.537985 0.403733 0.084725 C\n0.326409 0.640953 0.120404 O\n0.316739 0.153822 0.417098 O\n0.890912 0.657422 0.363718 O\n0.746430 0.156942 0.173398 O\n",
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{
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"created_at": "2022-09-04T14:36:55.382536Z",
"updated_at": "2022-09-04T14:36:55.382556Z",
"structure_string": "Be2 Co1\n1.0\n3.795426 -0.302301 1.522232\n3.275668 2.222142 1.057074\n-0.091642 0.445103 2.579306\nBe Co\n2 1\ndirect\n0.336190 0.336188 0.663811 Be\n0.663813 0.663812 0.336187 Be\n0.000000 0.000000 0.000000 Co\n",
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{
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"created_at": "2022-09-04T14:35:53.921631Z",
"updated_at": "2022-09-04T14:35:53.921650Z",
"structure_string": "Mn4 B4\n1.0\n2.977851 0.000000 0.000000\n-0.000000 4.116707 0.000000\n0.000000 0.000000 5.455779\nMn B\n4 4\ndirect\n0.250000 0.378026 0.675087 Mn\n0.750000 0.621975 0.324913 Mn\n0.750000 0.878026 0.824913 Mn\n0.250000 0.121975 0.175087 Mn\n0.250000 0.886294 0.533378 B\n0.750000 0.113706 0.466622 B\n0.750000 0.386294 0.966622 B\n0.250000 0.613707 0.033378 B\n",
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}
]
}