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{
"id": "jvasp-112173",
"created_at": "2022-09-04T14:38:43.454420Z",
"updated_at": "2022-09-04T14:38:43.454446Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.773974 0.128184 0.035178\n1.338979 4.250147 1.292811\n-0.303895 0.222087 9.038035\nCd H C O\n1 6 5 4\ndirect\n0.035000 0.548941 0.213347 Cd\n0.407147 0.389014 0.577814 H\n0.803504 0.484155 0.611424 H\n0.046988 0.878537 0.682446 H\n0.015720 0.538773 0.910105 H\n0.492257 0.810086 0.774382 H\n0.203306 0.249172 0.814603 H\n0.381074 0.847784 0.435894 C\n0.493823 0.584784 0.592670 C\n0.325407 0.693006 0.728336 C\n0.263753 0.423367 0.861333 C\n0.576728 0.239057 0.996417 C\n0.453183 0.768201 0.311725 O\n0.210909 0.134114 0.433432 O\n0.590817 0.360808 0.106891 O\n0.806868 0.970814 -0.003524 O\n",
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{
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"structure_string": "Be4 B2 H6 O10\n1.0\n10.543668 0.000000 0.000000\n-0.000000 3.851505 2.209628\n-0.000000 0.009647 4.453186\nBe B H O\n4 2 6 10\ndirect\n0.800102 0.014490 0.976846 Be\n0.300102 0.985512 0.023154 Be\n0.696829 0.349782 0.311081 Be\n0.196829 0.650220 0.688919 Be\n0.751080 0.683020 0.644066 B\n0.251080 0.316982 0.355934 B\n0.011366 0.768619 0.449771 H\n0.496655 0.747042 0.141964 H\n0.511366 0.231383 0.550229 H\n0.996655 0.252960 0.858037 H\n0.994766 0.872556 0.857370 H\n0.494766 0.127446 0.142631 H\n0.958155 0.007095 -0.029329 O\n0.753109 0.992760 0.334725 O\n0.748680 0.683460 0.952992 O\n0.750749 0.373128 0.644851 O\n0.253109 0.007242 0.665276 O\n0.248680 0.316542 0.047008 O\n0.250749 0.626874 0.355149 O\n0.543288 0.352363 0.310041 O\n0.043288 0.647639 0.689959 O\n0.458155 0.992907 0.029329 O\n",
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{
"id": "jvasp-112796",
"created_at": "2022-09-04T14:38:43.450202Z",
"updated_at": "2022-09-04T14:38:43.450221Z",
"structure_string": "Ba5 Mn5 O15\n1.0\n5.535853 -0.016398 11.035322\n2.599842 4.887409 11.035322\n-0.027388 -0.016398 12.345981\nBa Mn O\n5 5 15\ndirect\n0.735590 0.735590 0.735592 Ba\n0.865926 0.865926 0.865927 Ba\n0.000000 0.000000 0.000000 Ba\n0.134074 0.134074 0.134074 Ba\n0.264409 0.264409 0.264409 Ba\n0.569216 0.569216 0.569217 Mn\n0.638975 0.638975 0.638976 Mn\n0.361024 0.361025 0.361025 Mn\n0.430783 0.430783 0.430784 Mn\n0.500000 0.500000 0.500000 Mn\n0.750262 0.308042 0.750263 O\n0.249737 0.691958 0.249738 O\n0.691957 0.249737 0.249738 O\n0.249737 0.249737 0.691958 O\n0.166994 0.615407 0.615408 O\n0.615407 0.615407 0.166995 O\n0.384592 0.833006 0.384593 O\n0.500000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.750262 0.750262 0.308043 O\n0.384592 0.384592 0.833006 O\n0.833005 0.384592 0.384593 O\n0.615407 0.166994 0.615408 O\n0.308042 0.750262 0.750263 O\n",
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{
"id": "jvasp-116496",
"created_at": "2022-09-04T14:38:43.446906Z",
"updated_at": "2022-09-04T14:38:43.446928Z",
"structure_string": "Li10 Cl6 O2\n1.0\n6.172892 -0.017054 -4.430498\n-1.635234 5.952385 -4.430498\n0.013038 0.017054 7.598272\nLi Cl O\n10 6 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.982861 0.200413 0.500000 Li\n0.482862 0.982861 0.782449 Li\n0.200413 0.700413 0.217551 Li\n0.017140 0.799588 0.500000 Li\n0.700413 0.482861 0.500000 Li\n0.517139 0.017139 0.217551 Li\n0.799588 0.299588 0.782449 Li\n0.500000 0.500001 0.000000 Li\n0.299588 0.517139 0.500000 Li\n0.750001 0.750001 0.000001 Cl\n0.250000 0.250000 0.000000 Cl\n0.200862 0.700861 0.901723 Cl\n0.799139 0.299140 0.098277 Cl\n0.700862 0.799140 0.500000 Cl\n0.299139 0.200861 0.500000 Cl\n0.750000 0.250000 0.500000 O\n0.250001 0.750000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:43.444696Z",
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"structure_string": "Rb1 Ag1 Te1\n1.0\n3.301523 -0.000000 0.000000\n0.000000 3.301523 0.000000\n-0.000000 -0.000000 9.591713\nRb Ag Te\n1 1 1\ndirect\n0.000000 0.000000 0.639464 Rb\n0.000000 0.000000 0.300225 Ag\n0.000000 0.000000 -0.000717 Te\n",
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{
"id": "jvasp-112046",
"created_at": "2022-09-04T14:38:43.441912Z",
"updated_at": "2022-09-04T14:38:43.441930Z",
"structure_string": "Ti1 H2 C2 O6\n1.0\n4.411506 0.047577 1.967591\n1.334529 4.668161 2.811450\n0.137724 0.131865 5.606368\nTi H C O\n1 2 2 6\ndirect\n0.476893 0.238163 0.013433 Ti\n0.002412 0.672661 0.039018 H\n0.948981 0.212086 0.577420 H\n0.565502 0.791207 0.554846 C\n0.388020 0.696898 0.460514 C\n0.093047 0.465755 0.153744 O\n0.859813 0.097956 0.785066 O\n0.627687 0.036163 0.372395 O\n0.631193 0.624095 0.793618 O\n0.325995 0.879238 0.215494 O\n0.322265 0.458171 0.627628 O\n",
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{
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"created_at": "2022-09-04T14:38:43.441558Z",
"updated_at": "2022-09-04T14:38:43.441585Z",
"structure_string": "Cr1 H1 F1\n1.0\n2.328849 -0.000000 0.000000\n-0.000000 2.328849 0.000000\n0.000000 0.000000 5.263800\nCr H F\n1 1 1\ndirect\n0.000000 0.000000 0.387632 Cr\n0.000000 0.000000 -0.034514 H\n0.000000 0.000000 0.771065 F\n",
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{
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"created_at": "2022-09-04T14:38:43.440018Z",
"updated_at": "2022-09-04T14:38:43.440047Z",
"structure_string": "V6 O8 F4\n1.0\n4.615767 0.007535 0.102044\n0.120000 5.477932 0.443668\n0.000033 0.136787 7.554596\nV O F\n6 8 4\ndirect\n0.509171 0.833333 0.658211 V\n0.476089 0.510883 0.991702 V\n0.509998 0.178189 0.361579 V\n0.001456 0.344748 0.672502 V\n0.968639 0.643905 0.311208 V\n0.025596 0.992949 0.999842 V\n0.192427 0.296593 0.904175 O\n0.297664 0.799697 0.892999 O\n0.303104 0.455843 0.234915 O\n0.299266 0.139343 0.573895 O\n0.698773 0.537239 0.765307 O\n0.794809 0.697218 0.095589 O\n0.801609 0.370044 0.436027 O\n0.709317 0.866876 0.429662 O\n0.212369 0.961619 0.236469 F\n0.797121 0.037045 0.771187 F\n0.699036 0.194703 0.106446 F\n0.203554 0.639771 0.558288 F\n",
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{
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"created_at": "2022-09-04T14:38:43.436932Z",
"updated_at": "2022-09-04T14:38:43.436963Z",
"structure_string": "Cd1 F3\n1.0\n3.704973 0.215835 0.252793\n0.432929 -4.453833 0.527126\n-1.622875 0.596565 -3.593014\nCd F\n1 3\ndirect\n0.830466 0.565697 0.139812 Cd\n0.887666 0.083379 0.232187 F\n0.178581 0.317421 0.806935 F\n0.522038 0.677821 0.533883 F\n",
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{
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{
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"created_at": "2022-09-04T14:38:43.430832Z",
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"structure_string": "Y6 Ta2 O14\n1.0\n6.437513 -0.000454 0.000000\n-2.156663 6.065507 0.000000\n-0.000000 -0.000000 7.495934\nY Ta O\n6 2 14\ndirect\n0.500000 0.500001 0.500000 Y\n0.500000 0.500001 -0.000000 Y\n0.534315 0.000065 0.750000 Y\n0.000065 0.534315 0.250000 Y\n0.465685 -0.000065 0.250000 Y\n-0.000065 0.465686 0.750000 Y\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.629295 0.370705 0.250000 O\n0.370705 0.629296 0.750000 O\n0.067059 0.932942 0.250000 O\n0.932941 0.067059 0.750000 O\n0.072947 0.322742 0.032539 O\n0.322741 0.072947 0.967461 O\n0.677259 0.927054 0.032539 O\n0.322741 0.072947 0.532539 O\n0.927053 0.677259 0.967461 O\n0.637783 0.362218 0.750000 O\n0.927053 0.677259 0.532539 O\n0.677259 0.927054 0.467461 O\n0.072947 0.322742 0.467461 O\n0.362218 0.637783 0.250000 O\n",
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{
"id": "jvasp-112168",
"created_at": "2022-09-04T14:38:43.429035Z",
"updated_at": "2022-09-04T14:38:43.429067Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.676745 -0.134560 0.013331\n-0.826828 4.368357 -1.484192\n0.474636 -0.098655 7.573698\nCd H C O\n1 4 4 4\ndirect\n0.250570 0.744028 0.726473 Cd\n0.996450 0.033788 0.252633 H\n0.541338 0.904068 0.165660 H\n-0.040358 0.583985 0.287270 H\n0.504551 0.454255 0.200268 H\n0.588301 0.160611 0.458452 C\n0.728243 0.104294 0.258910 C\n0.772761 0.383756 0.194004 C\n0.912758 0.327486 0.994475 C\n0.372830 0.934758 0.490514 O\n0.685645 0.430661 0.583111 O\n0.815493 0.057462 0.869783 O\n0.128205 0.553392 0.962456 O\n",
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]
}