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{
"id": "jvasp-34751",
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{
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"structure_string": "C2 N4\n1.0\n2.365102 0.000000 0.000000\n-1.182551 2.048240 0.000005\n0.000000 0.000059 9.477970\nC N\n2 4\ndirect\n0.000003 0.000006 0.916460 C\n-0.000003 -0.000006 0.083540 C\n0.666667 0.333334 0.463439 N\n0.333333 0.666667 0.536561 N\n0.666667 0.333335 0.863628 N\n0.333333 0.666666 0.136371 N\n",
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{
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"created_at": "2022-09-04T14:36:44.183138Z",
"updated_at": "2022-09-04T14:36:44.183174Z",
"structure_string": "Cd1 H16 C10 O4\n1.0\n3.667005 0.045830 -0.242187\n-0.075379 4.249877 -0.100993\n-0.176729 -0.080424 15.235051\nCd H C O\n1 16 10 4\ndirect\n0.543400 0.668621 0.165894 Cd\n0.618081 0.908552 0.525852 H\n0.252097 0.409141 0.947053 H\n0.815881 0.567521 0.940698 H\n0.000960 0.440992 0.766327 H\n0.549653 0.483887 0.794159 H\n0.729204 0.430569 0.603047 H\n0.281036 0.434777 0.634970 H\n0.452250 0.401300 0.440156 H\n0.001034 0.362961 0.470216 H\n0.052328 0.946851 0.856619 H\n0.597640 0.996197 0.881864 H\n0.843304 0.928742 0.687645 H\n0.397852 0.948959 0.721032 H\n0.417728 0.862477 0.368206 H\n0.977998 0.812224 0.399779 H\n0.173848 0.897204 0.559771 H\n0.883489 0.233753 0.036215 C\n0.963170 0.342490 0.945500 C\n0.843189 0.125853 0.866760 C\n0.759081 0.306435 0.782091 C\n0.626782 0.095464 0.702913 C\n0.248465 0.229790 0.457957 C\n0.387237 0.059810 0.541236 C\n0.170901 0.994075 0.381414 C\n0.001122 0.107447 0.294204 C\n0.505948 0.276210 0.620290 C\n0.014611 0.414568 0.101934 O\n0.063195 0.928870 0.225778 O\n0.784243 0.336262 0.290557 O\n0.667995 0.007393 0.044516 O\n",
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{
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"created_at": "2022-09-04T14:36:32.972898Z",
"updated_at": "2022-09-04T14:36:32.972915Z",
"structure_string": "V1 H1\n1.0\n1.972386 1.972386 -0.000000\n1.972386 -0.000000 -1.972386\n0.000000 1.972386 -1.972386\nV H\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 H\n",
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{
"id": "jvasp-51363",
"created_at": "2022-09-04T14:36:33.288161Z",
"updated_at": "2022-09-04T14:36:33.288179Z",
"structure_string": "Li1 H1 F2\n1.0\n1.360752 3.700448 11.698500\n-0.999161 1.987191 3.990756\n-1.321616 -3.144804 -5.365164\nLi H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.000001 H\n0.779131 0.188968 -0.000000 F\n0.220869 0.811033 0.000001 F\n",
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{
"id": "jvasp-112119",
"created_at": "2022-09-04T14:38:44.540783Z",
"updated_at": "2022-09-04T14:38:44.540806Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.006098 0.071004 0.098143\n0.895957 4.091261 -0.005047\n-0.291601 -0.036606 17.388322\nCd H C O\n1 20 12 4\ndirect\n0.183181 0.060792 0.854035 Cd\n0.622433 0.744684 0.515515 H\n0.728414 0.213586 0.589137 H\n0.560580 0.408328 0.049519 H\n0.178208 0.292066 0.164575 H\n0.743561 0.377127 0.192569 H\n0.364816 0.268153 0.303886 H\n0.932942 0.345698 0.333800 H\n0.552763 0.238959 0.444890 H\n0.120375 0.316794 0.474518 H\n0.006040 0.294617 0.027521 H\n0.290870 0.300024 0.616044 H\n0.075357 0.821736 0.092080 H\n0.637767 0.908204 0.118944 H\n0.245630 0.804960 0.233601 H\n0.813225 0.882786 0.263217 H\n0.433015 0.776051 0.374308 H\n0.001145 0.853581 0.404225 H\n0.805679 0.713488 0.658538 H\n0.360263 0.827159 0.680579 H\n0.187827 0.829674 0.543539 H\n0.723838 0.701828 0.964507 C\n0.788829 0.504077 0.037622 C\n0.862812 0.706751 0.106809 C\n0.955281 0.494553 0.178251 C\n0.037634 0.683563 0.248461 C\n0.140706 0.467338 0.318893 C\n0.503376 0.415028 0.601289 C\n0.328361 0.438186 0.459649 C\n0.410765 0.627216 0.529849 C\n0.577473 0.617718 0.670462 C\n0.642621 0.419963 0.743573 C\n0.225261 0.654400 0.389217 C\n0.465075 0.947380 0.963682 O\n0.437375 0.498239 0.800800 O\n0.901434 0.174456 0.744378 O\n0.929184 0.623499 0.907296 O\n",
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{
"id": "jvasp-112184",
"created_at": "2022-09-04T14:38:45.246007Z",
"updated_at": "2022-09-04T14:38:45.246038Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.819669 0.064400 0.186068\n0.762545 4.297714 0.307606\n0.176794 0.019628 15.959239\nCd H C O\n1 18 11 4\ndirect\n0.121267 0.085517 0.853915 Cd\n0.715342 0.369603 0.482329 H\n0.507913 0.844469 0.564669 H\n0.648126 0.884868 0.130242 H\n-0.016344 0.898675 0.249246 H\n0.416396 0.877176 0.283955 H\n0.747502 0.890322 0.406166 H\n0.184509 0.860366 0.439142 H\n0.151355 0.341179 0.514965 H\n0.229038 0.878692 0.091322 H\n0.472665 0.369519 0.026937 H\n0.888590 0.355288 0.069093 H\n0.193259 0.388011 0.180239 H\n0.623994 0.373113 0.214674 H\n0.942013 0.393200 0.331250 H\n0.377826 0.364173 0.364272 H\n0.521062 0.298345 0.632489 H\n0.950454 0.285795 0.664513 H\n0.946979 0.825096 0.596108 H\n0.766567 0.687910 0.966566 C\n0.651770 0.517148 0.046035 C\n0.472293 0.727159 0.114998 C\n0.381107 0.536247 0.194759 C\n0.225816 0.732983 0.268425 C\n0.759777 0.682708 0.578035 C\n0.990439 0.720785 0.422896 C\n0.906648 0.510803 0.499396 C\n0.700552 0.448755 0.650760 C\n0.536331 0.571974 0.733386 C\n0.136173 0.534046 0.346742 C\n0.603779 0.965980 0.946079 O\n0.594868 0.387088 0.799611 O\n0.333637 0.839659 0.733817 O\n0.037422 0.562211 0.922152 O\n",
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{
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"created_at": "2022-09-04T14:36:58.793554Z",
"updated_at": "2022-09-04T14:36:58.793584Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.823671 -0.080745 0.006662\n-0.766658 4.230354 -0.835623\n-0.123010 -0.149879 16.232542\nCd H C O\n1 18 11 4\ndirect\n0.249253 0.301960 0.151192 Cd\n0.176756 0.927612 0.477423 H\n0.145911 0.329152 0.388105 H\n0.425430 0.783553 0.893245 H\n0.626900 0.657977 0.703146 H\n0.189321 0.662061 0.736234 H\n0.391258 0.508311 0.546105 H\n0.958340 0.523931 0.581000 H\n0.745945 0.950341 0.511917 H\n0.865460 0.771492 0.861886 H\n0.850876 0.292956 0.929772 H\n0.420284 0.311533 0.961512 H\n0.657099 0.213337 0.779413 H\n0.220233 0.217747 0.812013 H\n0.429697 0.084903 0.628342 H\n0.993342 0.090366 0.661408 H\n0.895545 0.755563 0.323865 H\n0.480482 0.786950 0.366528 H\n0.727429 0.378272 0.427229 H\n0.833937 0.667390 0.030679 C\n0.670952 0.461989 0.947937 C\n0.612638 0.622417 0.875174 C\n0.465884 0.372340 0.796471 C\n0.382868 0.505089 0.719946 C\n0.900989 0.202813 0.412000 C\n0.147694 0.362443 0.565442 C\n0.990552 0.092500 0.491868 C\n0.718561 0.924800 0.343191 C\n0.604321 0.015480 0.263749 C\n0.236251 0.242578 0.643814 C\n0.036377 0.935679 0.031475 O\n0.334040 0.844983 0.219332 O\n0.767599 0.272236 0.243193 O\n0.774581 0.548238 0.096623 O\n",
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{
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"structure_string": "Mg1 Be2 N2\n1.0\n1.477014 -2.558264 0.000000\n1.477014 2.558264 0.000000\n0.000000 0.000000 5.088482\nMg Be N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666665 0.333332 0.371569 Be\n0.333332 0.666665 0.628430 Be\n0.666665 0.333332 0.722605 N\n0.333332 0.666665 0.277395 N\n",
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{
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"structure_string": "H20 N4 F8\n1.0\n3.589194 0.000000 0.000000\n0.000000 8.177412 0.000000\n0.000000 0.000000 8.386399\nH N F\n20 4 8\ndirect\n0.371911 0.794901 0.341637 H\n0.293116 0.156071 0.793592 H\n0.293116 0.343929 0.706408 H\n0.706883 0.656071 0.706408 H\n0.706883 0.843929 0.793592 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.293116 0.156071 0.206408 H\n0.293116 0.343929 0.293592 H\n0.000000 0.500000 0.000000 H\n0.706883 0.843929 0.206408 H\n0.371911 0.794901 0.658363 H\n0.371911 0.705099 0.841637 H\n0.628088 0.294901 0.841637 H\n0.628088 0.205099 0.658363 H\n0.628088 0.205099 0.341637 H\n0.628088 0.294901 0.158363 H\n0.371911 0.705099 0.158363 H\n0.706883 0.656071 0.293592 H\n0.539187 0.750000 0.250000 N\n0.460812 0.250000 0.250000 N\n0.460812 0.250000 0.750000 N\n0.539187 0.750000 0.750000 N\n0.909302 0.135153 0.500000 F\n0.000000 0.500000 0.362737 F\n0.000000 0.000000 0.137263 F\n0.000000 0.500000 0.637263 F\n0.000000 0.000000 0.862737 F\n0.090697 0.635153 0.000000 F\n0.090697 0.864846 0.500000 F\n0.909302 0.364846 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:37:27.860541Z",
"structure_string": "Zn2 B8 O14\n1.0\n5.207096 0.000000 -0.000000\n-0.000000 5.589843 -2.998651\n-0.000000 0.002717 6.343363\nZn B O\n2 8 14\ndirect\n0.750001 0.764818 0.764818 Zn\n0.250000 0.235182 0.235182 Zn\n0.500000 0.297574 0.702427 B\n0.000000 0.702426 0.297573 B\n0.000000 0.297574 0.702427 B\n0.250000 0.925938 0.691105 B\n0.250000 0.691105 0.925938 B\n0.500000 0.702426 0.297573 B\n0.750001 0.308895 0.074062 B\n0.750001 0.074062 0.308895 B\n0.523017 0.445241 0.188934 O\n0.250000 0.196050 0.755148 O\n0.023016 0.554759 0.811066 O\n0.750001 0.803951 0.244851 O\n0.976985 0.445241 0.188934 O\n0.523017 0.188934 0.445242 O\n0.976985 0.188934 0.445242 O\n0.476984 0.554759 0.811066 O\n0.023016 0.811066 0.554758 O\n0.750001 0.078119 0.078119 O\n0.750001 0.244852 0.803951 O\n0.250000 0.921881 0.921881 O\n0.250000 0.755148 0.196049 O\n0.476984 0.811066 0.554758 O\n",
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{
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"created_at": "2022-09-04T14:37:11.119323Z",
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"structure_string": "Cr1 B2\n1.0\n-1.480356 -2.564051 0.000000\n-1.480360 2.564053 0.000000\n0.000000 0.000000 -3.041176\nCr B\n1 2\ndirect\n0.999968 0.000002 0.000000 Cr\n0.333302 0.666668 0.500001 B\n0.666633 0.333333 0.500001 B\n",
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]
}