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{
"id": "jvasp-101910",
"created_at": "2022-09-04T14:37:13.574387Z",
"updated_at": "2022-09-04T14:37:13.574424Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.331670 0.000553 0.652302\n1.914625 4.419074 1.051339\n0.164967 -0.175734 7.493478\nZn H C O\n1 6 5 4\ndirect\n0.518107 0.279592 0.724520 Zn\n0.219836 0.630682 0.405074 H\n0.978795 0.025993 0.394373 H\n0.456491 0.110732 0.173247 H\n0.896611 0.565930 0.234817 H\n0.211047 -0.028441 0.088192 H\n0.650265 0.447557 0.133512 H\n0.424226 0.874688 0.523674 C\n0.235373 0.851491 0.380295 C\n0.397744 0.911561 0.185103 C\n0.712189 0.642591 0.132841 C\n0.908896 0.685366 0.948280 C\n0.607104 0.645256 0.626772 O\n0.398507 0.141825 0.529162 O\n0.868548 0.945228 0.858466 O\n0.128898 0.439477 0.900603 O\n",
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{
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"structure_string": "Li1 V2 O1 F5\n1.0\n5.035143 -0.009012 -0.000825\n-2.434206 4.433112 -0.001531\n-2.476263 -1.472337 4.592067\nLi V O F\n1 2 1 5\ndirect\n0.701044 0.346073 0.082901 Li\n0.322815 0.678837 0.985401 V\n0.323163 0.150809 0.455293 V\n0.415336 0.009301 0.218742 O\n0.233147 0.297984 0.748107 F\n0.152979 0.397692 0.216275 F\n0.813111 0.532870 0.719631 F\n0.477890 0.939383 0.750469 F\n0.814346 0.757583 0.236335 F\n",
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{
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"structure_string": "Nb4 H4 O12\n1.0\n6.702691 0.016072 -0.023783\n-2.192110 6.332626 0.030265\n-2.240159 -3.151836 5.421766\nNb H O\n4 4 12\ndirect\n0.023117 0.986642 0.473592 Nb\n0.494732 0.968262 0.981084 Nb\n0.556035 0.531457 0.512921 Nb\n0.992435 0.462911 0.977388 Nb\n0.839345 0.282633 0.458413 H\n0.208363 0.649399 0.457657 H\n0.476411 0.318629 0.772817 H\n0.247777 0.199161 0.043286 H\n0.613872 0.794408 0.803960 O\n0.393725 0.218715 0.177414 O\n0.702816 0.288760 0.970183 O\n0.315335 0.728292 0.023105 O\n0.351813 0.295527 0.617731 O\n0.224078 0.894199 0.680546 O\n0.222039 0.531531 0.330527 O\n0.813464 0.474002 0.670065 O\n0.004367 0.796397 0.189949 O\n0.821792 0.137055 0.327773 O\n0.723866 0.732943 0.418332 O\n0.045231 0.213500 0.820692 O\n",
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{
"id": "jvasp-50018",
"created_at": "2022-09-04T14:37:14.191467Z",
"updated_at": "2022-09-04T14:37:14.191492Z",
"structure_string": "Li3 Cu3 P2 O8\n1.0\n5.053468 0.122237 -0.030804\n0.119727 5.497307 -0.026169\n-0.048703 -0.067037 6.071595\nLi Cu P O\n3 3 2 8\ndirect\n0.489797 0.156744 0.000774 Li\n0.985449 0.332203 0.750768 Li\n0.004813 0.850230 0.502469 Li\n0.523663 0.632457 0.758065 Cu\n0.523744 0.624142 0.240906 Cu\n0.952921 0.359593 0.249290 Cu\n0.008548 0.845719 0.994691 P\n0.486686 0.162100 0.504111 P\n0.882293 0.108194 0.984245 O\n0.314657 0.851977 0.000013 O\n0.920034 0.693540 0.789121 O\n0.374050 0.299988 0.712955 O\n0.794879 0.161457 0.508387 O\n0.386537 0.900457 0.501328 O\n0.378081 0.295466 0.291987 O\n0.916448 0.725738 0.210902 O\n",
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{
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"structure_string": "H20 C24 S2\n1.0\n6.216900 -0.019482 0.355487\n2.055296 7.752038 2.611220\n0.051639 0.103696 9.016453\nH C S\n20 24 2\ndirect\n0.681659 0.242313 0.849398 H\n0.174501 0.012784 0.629573 H\n0.674501 0.512784 0.629572 H\n0.511704 0.772938 0.730964 H\n0.011704 0.272938 0.730964 H\n0.005289 0.542437 0.510513 H\n0.849356 0.314130 0.470771 H\n0.349354 0.814130 0.470770 H\n0.747372 0.502664 0.917346 H\n0.247372 0.002663 0.917346 H\n0.505289 0.042437 0.510512 H\n0.000892 0.744464 0.139986 H\n0.245156 0.316231 0.367860 H\n0.745155 0.816231 0.367860 H\n0.665523 0.261535 0.365716 H\n0.165523 0.761534 0.365715 H\n0.016240 0.498670 0.973686 H\n0.516241 0.998671 0.973686 H\n0.181659 0.742313 0.849398 H\n0.500893 0.244463 0.139986 H\n0.154047 0.476807 0.585036 C\n0.654048 0.976808 0.585035 C\n0.346652 0.239454 0.805635 C\n0.846653 0.739454 0.805635 C\n0.338997 0.546660 0.554756 C\n0.528621 0.460217 0.651579 C\n0.532466 0.308768 0.775104 C\n0.032467 0.808768 0.775105 C\n0.028622 0.960217 0.651580 C\n0.657675 0.825461 0.708891 C\n0.838998 0.046660 0.554756 C\n0.157674 0.325461 0.708892 C\n0.704047 0.751122 0.291019 C\n0.331200 0.713936 0.422204 C\n0.845703 0.580827 0.945451 C\n0.345703 0.080827 0.945451 C\n0.009127 0.200381 0.303287 C\n0.509126 0.700381 0.303286 C\n0.252032 0.132387 0.086250 C\n0.752032 0.632388 0.086250 C\n0.204048 0.251121 0.291019 C\n0.341348 0.212692 0.168422 C\n0.841347 0.712692 0.168421 C\n0.831200 0.213937 0.422205 C\n0.494865 0.606276 0.159782 S\n0.994866 0.106276 0.159782 S\n",
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{
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"created_at": "2022-09-04T14:37:14.196415Z",
"updated_at": "2022-09-04T14:37:14.196441Z",
"structure_string": "Al2 H6 O6\n1.0\n4.796775 0.076284 1.067026\n2.115550 4.349688 1.847419\n-0.376754 0.353489 5.139219\nAl H O\n2 6 6\ndirect\n0.671227 0.659884 0.000565 Al\n0.352032 0.301771 0.002513 Al\n0.624519 0.153022 0.577170 H\n0.390831 0.812554 0.414986 H\n-0.061062 0.292582 0.762473 H\n0.040558 0.522169 0.393557 H\n0.142812 0.859763 0.780881 H\n0.876820 0.079066 0.230366 H\n0.650524 0.069304 0.786135 O\n0.380086 0.896634 0.205619 O\n-0.011725 0.450836 0.772047 O\n0.032081 0.517322 0.206473 O\n0.360102 0.700669 0.776149 O\n0.665569 0.256908 0.217844 O\n",
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{
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"created_at": "2022-09-04T14:37:14.401744Z",
"updated_at": "2022-09-04T14:37:14.401764Z",
"structure_string": "Si4 O8\n1.0\n5.132921 -0.058086 0.002983\n0.465633 5.246286 -0.017214\n1.927633 2.031113 6.444338\nSi O\n4 8\ndirect\n0.387064 0.717927 0.593142 Si\n0.439352 0.634001 0.049238 Si\n0.179965 0.275097 0.440889 Si\n0.864586 0.695428 0.247041 Si\n0.450197 0.634479 0.818121 O\n0.169052 0.962278 0.573446 O\n0.263074 0.457479 0.568121 O\n0.726034 0.740791 0.054916 O\n0.668087 0.829630 0.414078 O\n0.177671 0.809609 0.139953 O\n0.890929 0.381167 0.386404 O\n0.398429 0.330573 0.211972 O\n",
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{
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"structure_string": "H2 C2 S2 N2 O4\n1.0\n4.376879 0.009955 0.863280\n0.839695 5.170069 2.117028\n-0.059693 -0.078219 6.764145\nH C S N O\n2 2 2 2 4\ndirect\n0.635828 0.570563 0.259536 H\n0.635830 0.070568 0.759536 H\n0.092114 0.720396 0.266347 C\n0.092116 0.220401 0.766345 C\n0.179800 0.439912 0.234180 S\n0.179801 0.939916 0.734183 S\n0.601466 0.771887 0.184891 N\n0.601469 0.271891 0.684889 N\n0.804914 0.361010 0.779754 O\n0.804910 0.861003 0.279758 O\n0.294525 0.862029 0.276598 O\n0.294528 0.362035 0.776594 O\n",
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{
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"structure_string": "V6 O7 F5\n1.0\n4.604781 0.001052 -0.017206\n0.084893 5.504820 0.083714\n0.087906 0.508606 7.652357\nV O F\n6 7 5\ndirect\n0.537515 0.841400 0.648943 V\n0.501942 0.503970 0.001574 V\n0.476654 0.166221 0.356667 V\n0.003333 0.325478 0.695997 V\n0.991187 0.658409 0.315264 V\n0.982520 0.002395 0.982513 V\n0.202712 0.299675 0.909036 O\n0.306370 0.457879 0.238646 O\n0.289269 0.131847 0.572180 O\n0.697570 0.542326 0.765278 O\n0.791485 0.035725 0.765498 O\n0.805247 0.708512 0.093096 O\n0.707959 0.865512 0.426006 O\n0.205683 0.963271 0.222370 F\n0.799973 0.364093 0.443379 F\n0.704790 0.201924 0.112820 F\n0.297602 0.802368 0.885888 F\n0.198190 0.628999 0.564838 F\n",
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{
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"structure_string": "H4 C8 S2 O4\n1.0\n4.640253 -0.010365 -0.137817\n-0.744197 6.650092 -0.563860\n-0.077517 0.053642 7.023423\nH C S O\n4 8 2 4\ndirect\n0.590916 0.682598 0.028836 H\n0.723466 0.942690 0.075526 H\n0.590903 0.182623 0.528832 H\n0.723450 0.442713 0.575539 H\n0.814211 0.762800 0.302466 C\n0.814194 0.262811 0.802467 C\n0.328361 0.359658 0.711067 C\n0.616016 0.310158 0.638496 C\n0.328379 0.859645 0.211063 C\n0.616033 0.810141 0.138493 C\n0.100635 0.693599 0.247810 C\n0.100618 0.193610 0.747809 C\n0.156198 0.460779 0.259319 S\n0.156184 0.960791 0.759316 S\n0.283484 0.033039 0.260988 O\n0.748983 0.276427 0.970048 O\n0.748998 0.776421 0.470046 O\n0.283466 0.533050 0.761000 O\n",
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{
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"created_at": "2022-09-04T14:37:14.709012Z",
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"structure_string": "Li3 V4 O7 F5\n1.0\n-4.952511 0.050732 0.722040\n2.298984 4.520460 -1.550241\n1.086206 -0.332220 -8.715070\nLi V O F\n3 4 7 5\ndirect\n0.799795 0.014016 0.602441 Li\n0.559890 0.279587 0.853460 Li\n0.437054 0.731271 0.138795 Li\n0.801547 0.241511 0.264028 V\n0.531574 0.506128 0.481223 V\n0.202563 0.705011 0.765061 V\n0.014104 0.018502 0.002764 V\n0.197968 0.432688 0.314042 O\n0.175621 0.828023 0.928037 O\n0.234507 0.379223 0.877701 O\n0.740566 0.875693 0.376116 O\n0.792474 0.158763 0.067291 O\n0.809371 0.573753 0.683004 O\n0.698061 0.320861 0.430441 O\n0.335981 0.706502 0.572075 F\n0.737737 0.611861 0.121800 F\n0.676669 0.957889 0.805192 F\n0.314970 0.048369 0.190870 F\n0.248920 0.140236 0.628399 F\n",
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}
]
}