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{
"id": "jvasp-112204",
"created_at": "2022-09-04T14:38:45.579617Z",
"updated_at": "2022-09-04T14:38:45.579641Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.381440 -0.071053 0.047724\n0.538083 4.687511 0.576909\n-0.256730 0.154743 18.015355\nSn H C F\n2 24 12 4\ndirect\n0.145340 0.222708 0.525910 Sn\n0.447711 0.816872 0.042544 Sn\n0.341177 0.554959 0.929164 H\n0.689856 0.710624 0.911483 H\n0.415039 0.167387 0.857492 H\n0.062582 0.076529 0.896410 H\n0.344291 0.869924 0.376175 H\n0.864919 0.865472 0.449995 H\n0.758053 0.228931 0.416432 H\n0.823843 0.225679 0.281512 H\n0.847245 0.851327 0.302023 H\n0.060958 0.089407 0.171635 H\n0.382511 0.132280 0.225667 H\n0.292601 0.246014 0.354791 H\n0.057760 0.678986 0.818965 H\n0.406830 0.765635 0.777729 H\n0.425038 0.152617 0.679657 H\n0.276986 0.423530 0.730833 H\n0.805516 0.489697 0.628804 H\n0.127190 0.565754 0.211352 H\n0.160695 0.633428 0.606881 H\n0.427065 0.604505 0.273030 H\n0.647282 0.443584 0.156349 H\n0.743581 0.790969 0.166862 H\n0.915011 0.930739 0.699955 H\n0.818321 0.178421 0.763152 H\n0.987318 0.033029 0.292306 C\n0.275039 0.988403 0.871527 C\n0.954739 0.068477 0.429893 C\n0.170762 0.053198 0.364041 C\n0.449020 0.754605 0.926622 C\n0.189382 0.002600 0.223684 C\n0.316108 0.694903 0.218734 C\n0.210619 0.269855 0.694637 C\n0.014293 0.059992 0.738843 C\n0.553872 0.665179 0.158302 C\n0.053097 0.436588 0.624053 C\n0.192828 0.859059 0.800978 C\n0.410399 0.247638 0.043945 F\n0.520819 0.967686 0.566607 F\n0.412981 0.502949 0.472906 F\n0.958521 0.844870 0.040048 F\n",
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"formula_full": "Sn2 H24 C12 F4",
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{
"id": "jvasp-115193",
"created_at": "2022-09-04T14:38:45.575178Z",
"updated_at": "2022-09-04T14:38:45.575211Z",
"structure_string": "Li1 I2\n1.0\n3.319531 0.047806 -0.114582\n0.084986 -6.000979 -0.049771\n-0.166907 0.038151 -4.823450\nLi I\n1 2\ndirect\n0.935914 0.936068 0.878367 Li\n0.435872 0.935843 0.378359 I\n0.936362 0.435905 0.878366 I\n",
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},
{
"id": "jvasp-116952",
"created_at": "2022-09-04T14:38:45.573659Z",
"updated_at": "2022-09-04T14:38:45.573685Z",
"structure_string": "Rb4 Ga4 H16\n1.0\n5.678481 -0.000000 0.000000\n0.000000 7.420792 0.000000\n-0.000000 -0.000000 9.280672\nRb Ga H\n4 4 16\ndirect\n0.250000 0.333383 0.679665 Rb\n0.250000 0.166617 0.179665 Rb\n0.750000 0.666617 0.320334 Rb\n0.750000 0.833383 0.820334 Rb\n0.250000 0.691350 0.066688 Ga\n0.250000 0.808650 0.566687 Ga\n0.750000 0.308650 0.933312 Ga\n0.750000 0.191350 0.433312 Ga\n0.477728 0.681363 0.581853 H\n0.022272 0.818637 0.081853 H\n0.022272 0.681363 0.581853 H\n0.477728 0.818637 0.081853 H\n0.522272 0.318637 0.418147 H\n0.977728 0.181363 0.918147 H\n0.750000 0.051878 0.301886 H\n0.750000 0.095190 0.586806 H\n0.250000 0.948122 0.698114 H\n0.250000 0.551878 0.198114 H\n0.522272 0.181363 0.918147 H\n0.750000 0.404810 0.086806 H\n0.250000 0.904810 0.413194 H\n0.250000 0.595190 0.913194 H\n0.750000 0.448122 0.801886 H\n0.977728 0.318637 0.418147 H\n",
"nsites": 24,
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},
{
"id": "jvasp-112202",
"created_at": "2022-09-04T14:38:45.572543Z",
"updated_at": "2022-09-04T14:38:45.572572Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.493628 0.122147 1.562128\n0.488003 5.774428 2.247119\n0.124896 -0.029411 6.539599\nSn H C F\n2 8 4 4\ndirect\n0.698331 0.496390 0.463159 Sn\n0.936795 -0.002703 0.937927 Sn\n0.012761 0.652294 0.766593 H\n0.622271 0.841327 0.634590 H\n0.503083 0.586728 0.862281 H\n0.131952 0.906874 0.538872 H\n0.539630 0.145695 0.400048 H\n0.115722 0.091047 0.230283 H\n0.095442 0.347949 0.001121 H\n0.519322 0.402586 0.170879 H\n0.479502 0.701507 0.695933 C\n0.155551 0.792107 0.705219 C\n0.666435 0.286556 0.271003 C\n0.968627 0.207084 0.130150 C\n0.561993 0.831883 0.185789 F\n0.573615 0.153028 0.793872 F\n0.073200 0.661695 0.215397 F\n0.061457 0.340518 0.607307 F\n",
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{
"id": "jvasp-112969",
"created_at": "2022-09-04T14:38:45.569981Z",
"updated_at": "2022-09-04T14:38:45.569999Z",
"structure_string": "Hg2 P4 Pd4 O16\n1.0\n8.536299 0.006038 4.878380\n6.432556 5.613436 1.838143\n-0.001173 0.003126 6.716523\nHg P Pd O\n2 4 4 16\ndirect\n0.750000 0.750001 0.749999 Hg\n0.500000 0.500001 0.500000 Hg\n0.955033 0.955035 0.544966 P\n0.544966 0.544968 0.955033 P\n0.294966 0.294967 0.705033 P\n0.705033 0.705035 0.294966 P\n0.625000 0.125000 0.125000 Pd\n0.125000 0.125000 0.125000 Pd\n0.125000 0.625001 0.125000 Pd\n0.125000 0.125001 0.625000 Pd\n0.123852 0.897828 0.600706 O\n0.872386 0.649295 0.352172 O\n0.126147 0.352174 0.649293 O\n0.897827 0.123853 0.377614 O\n0.600706 0.377614 0.123852 O\n0.377614 0.600708 0.897826 O\n0.171419 0.532708 0.824589 O\n0.778717 0.425411 0.717292 O\n0.824589 0.471284 0.171419 O\n0.532707 0.171420 0.471283 O\n0.078581 0.717294 0.425410 O\n0.649293 0.872387 0.126147 O\n0.425410 0.778718 0.078580 O\n0.717292 0.078582 0.778717 O\n0.471282 0.824591 0.532707 O\n0.352173 0.126148 0.872386 O\n",
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{
"id": "jvasp-116833",
"created_at": "2022-09-04T14:38:45.568882Z",
"updated_at": "2022-09-04T14:38:45.568927Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.523364 -0.043086 0.095807\n0.118693 5.502538 0.391581\n0.017330 -0.022808 7.611342\nMn O F\n6 7 5\ndirect\n0.498681 0.500550 0.999124 Mn\n0.535294 0.840189 0.657040 Mn\n0.477551 0.170386 0.348607 Mn\n0.009447 0.328533 0.690663 Mn\n0.979573 0.658019 0.314479 Mn\n0.982683 0.996886 0.989358 Mn\n0.194445 0.292199 0.905068 O\n0.303846 0.459096 0.230705 O\n0.296205 0.122723 0.571982 O\n0.696986 0.543328 0.770549 O\n0.794179 0.713807 0.088133 O\n0.794142 0.047906 0.773606 O\n0.700766 0.872915 0.429357 O\n0.201644 0.624218 0.561996 F\n0.808208 0.361654 0.458707 F\n0.721700 0.199307 0.127970 F\n0.287972 0.806527 0.875642 F\n0.216665 0.961745 0.207015 F\n",
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{
"id": "jvasp-112200",
"created_at": "2022-09-04T14:38:45.567078Z",
"updated_at": "2022-09-04T14:38:45.567095Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.906190 0.102083 0.746012\n1.164504 4.371069 0.513901\n-0.033334 0.177806 16.905738\nCd H C O\n1 20 12 4\ndirect\n-0.023065 0.154599 0.861819 Cd\n0.732003 0.058567 0.507194 H\n0.898037 0.548606 0.589001 H\n0.728812 0.295392 0.025728 H\n0.538043 0.295330 0.208011 H\n0.713049 0.966716 0.151837 H\n0.706591 0.628093 0.288248 H\n0.287335 0.588314 0.335203 H\n0.808087 0.578971 0.439111 H\n0.358385 0.593777 0.474688 H\n0.513514 0.656996 0.068021 H\n0.441905 0.580210 0.622039 H\n0.005618 0.457581 0.135153 H\n0.180738 0.120471 0.081953 H\n0.998830 0.109927 0.265746 H\n0.175112 0.789720 0.207445 H\n0.605190 0.097029 0.361880 H\n0.158717 0.100260 0.396848 H\n0.824900 0.044138 0.651729 H\n0.371722 0.084054 0.682973 H\n0.277462 0.087490 0.539831 H\n0.283468 0.569553 0.971576 C\n0.470208 0.459138 0.044620 C\n0.255492 0.291704 0.110321 C\n0.462932 0.127269 0.178498 C\n0.250706 0.948319 0.240310 C\n0.430841 0.760796 0.310550 C\n0.633923 0.716014 0.602183 C\n0.540559 0.739419 0.455258 C\n0.541972 0.919782 0.525746 C\n0.629992 0.909642 0.670225 C\n0.719882 0.734959 0.749407 C\n0.429809 0.945884 0.380481 C\n0.359345 0.388324 0.914045 O\n0.610155 0.880699 0.813973 O\n0.910942 0.455278 0.747860 O\n0.053335 0.832236 0.971818 O\n",
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{
"id": "jvasp-115685",
"created_at": "2022-09-04T14:38:45.564055Z",
"updated_at": "2022-09-04T14:38:45.564070Z",
"structure_string": "Rb1 Br1 Cl1\n1.0\n7.232421 0.000000 0.000000\n0.000000 7.232421 -0.000000\n0.000000 0.000000 8.603435\nRb Br Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000389 Rb\n0.000000 0.000000 0.354393 Br\n0.000000 0.000000 0.665835 Cl\n",
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},
{
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"structure_string": "S1 I1 N1\n1.0\n3.206050 0.000000 -0.000000\n-0.000000 3.206050 -0.000000\n0.000000 -0.000000 8.680282\nS I N\n1 1 1\ndirect\n0.000000 0.000000 0.789648 S\n0.000000 0.000000 0.373367 I\n0.000000 0.000000 -0.039278 N\n",
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},
{
"id": "jvasp-112147",
"created_at": "2022-09-04T14:38:45.557553Z",
"updated_at": "2022-09-04T14:38:45.557585Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.450793 -0.032825 -0.138415\n-0.724061 4.595996 -1.250929\n0.218840 -0.152503 9.101403\nZr H C O\n1 6 5 4\ndirect\n0.171490 0.207740 0.278680 Zr\n0.756404 0.355739 0.968276 H\n0.223257 0.304529 0.910165 H\n0.905151 0.857752 0.687332 H\n0.451662 0.923733 0.745754 H\n0.602645 0.434409 0.705224 H\n0.070030 0.369048 0.652372 H\n0.521427 0.864692 0.507561 C\n0.677765 0.985616 0.670346 C\n0.132046 0.739920 0.942272 C\n0.833835 0.312316 0.722878 C\n0.977105 0.416223 0.892260 C\n0.599060 0.017246 0.409716 O\n0.304967 0.616076 0.467069 O\n0.107641 0.859998 0.085289 O\n0.700256 0.343289 0.217093 O\n",
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{
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"created_at": "2022-09-04T14:38:45.557329Z",
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"structure_string": "Li2 Br1\n1.0\n3.659341 0.000000 0.000000\n0.000000 3.720123 0.000000\n0.000000 0.000000 6.275655\nLi Br\n2 1\ndirect\n-0.033319 0.000000 0.733276 Li\n-0.033319 0.000000 0.266724 Li\n0.466637 0.000000 0.000000 Br\n",
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{
"id": "jvasp-115353",
"created_at": "2022-09-04T14:38:45.554694Z",
"updated_at": "2022-09-04T14:38:45.554719Z",
"structure_string": "V1 Zn1 O4\n1.0\n3.201811 -3.414490 0.000000\n3.201811 3.414490 0.000000\n0.000000 0.000000 2.890316\nV Zn O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Zn\n0.210483 0.210483 0.500000 O\n0.680655 0.319345 0.000000 O\n0.319345 0.680655 0.000000 O\n0.789518 0.789518 0.500000 O\n",
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}
]
}