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{
"id": "jvasp-112012",
"created_at": "2022-09-04T14:38:41.729546Z",
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"structure_string": "Ca2 H8 C8 O8\n1.0\n4.263746 -0.072938 0.123092\n-0.147678 6.660730 2.883090\n-0.131155 0.093422 8.483161\nCa H C O\n2 8 8 8\ndirect\n0.786911 0.575744 0.702569 Ca\n0.786912 0.075744 0.702569 Ca\n0.464953 0.909735 0.237580 H\n0.464954 0.409735 0.237580 H\n0.493035 0.107792 0.304848 H\n0.493035 0.607792 0.304848 H\n0.948858 0.212627 0.196754 H\n0.948857 0.712627 0.196754 H\n0.914291 0.014468 0.131740 H\n0.914291 0.514468 0.131740 H\n0.086192 0.618461 0.149327 C\n0.086192 0.118461 0.149327 C\n0.325802 0.504408 0.282523 C\n0.325803 0.004408 0.282524 C\n0.209570 0.258994 0.970947 C\n0.176492 0.373763 0.456839 C\n0.176489 0.873765 0.456839 C\n0.209567 0.758992 0.970947 C\n0.311559 0.714346 0.557726 O\n0.909879 0.921543 0.498377 O\n0.909878 0.421543 0.498377 O\n0.453410 0.369936 0.950319 O\n0.453412 0.869937 0.950318 O\n0.037454 0.267527 0.844349 O\n0.037455 0.767527 0.844349 O\n0.311557 0.214348 0.557725 O\n",
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{
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"structure_string": "B1 P1 S4\n1.0\n4.737247 -0.000000 -2.338780\n-1.292265 4.712303 -2.617508\n-0.044013 -0.007402 5.877936\nB P S\n1 1 4\ndirect\n0.500000 0.000000 0.000000 B\n0.000000 0.000000 0.000000 P\n0.618115 0.686914 0.770164 S\n0.847951 0.313085 0.229837 S\n0.381887 0.916751 0.229837 S\n0.152050 0.083249 0.770164 S\n",
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{
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"updated_at": "2022-09-04T14:38:52.942703Z",
"structure_string": "Rb1 H1 O1\n1.0\n3.849218 -1.704284 0.000000\n-1.608409 5.292010 0.000000\n0.000000 0.000000 4.468978\nRb H O\n1 1 1\ndirect\n0.018402 0.421683 0.000000 Rb\n-0.097619 -0.135134 0.000000 H\n0.207047 0.015293 0.000000 O\n",
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{
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"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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{
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"created_at": "2022-09-04T14:38:51.306497Z",
"updated_at": "2022-09-04T14:38:51.306517Z",
"structure_string": "Mg2 Cl2\n1.0\n3.392004 -0.565161 -0.415341\n-0.717355 -5.204728 1.221021\n-0.391445 1.589576 -5.364815\nMg Cl\n2 2\ndirect\n0.196184 0.891351 0.009377 Mg\n0.696037 0.639005 0.505954 Mg\n0.196092 0.446004 0.119189 Cl\n0.696088 0.084438 0.396033 Cl\n",
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},
{
"id": "jvasp-21785",
"created_at": "2022-09-04T14:38:09.850483Z",
"updated_at": "2022-09-04T14:38:09.850510Z",
"structure_string": "Li3 B3 F12\n1.0\n2.390977 -4.141294 -0.000000\n2.390977 4.141294 0.000000\n0.000000 -0.000000 10.919566\nLi B F\n3 3 12\ndirect\n0.549072 0.000001 0.333333 Li\n0.000001 0.549072 0.666667 Li\n0.450929 0.450929 0.000000 Li\n0.442355 0.442355 0.500000 B\n0.557646 0.000001 0.833333 B\n0.000001 0.557646 0.166667 B\n0.403495 0.138953 0.467119 F\n0.264544 0.861048 0.199548 F\n0.138953 0.403495 0.532882 F\n0.596506 0.735458 0.866215 F\n0.427043 0.082149 0.934191 F\n0.572958 0.655106 0.399143 F\n0.917852 0.344896 0.267524 F\n0.861048 0.264544 0.800452 F\n0.344896 0.917852 0.732476 F\n0.082149 0.427043 0.065809 F\n0.655106 0.572958 0.600857 F\n0.735458 0.596506 0.133786 F\n",
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{
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"created_at": "2022-09-04T14:36:21.081782Z",
"updated_at": "2022-09-04T14:36:21.081796Z",
"structure_string": "Ca1 Mg6 V1\n1.0\n6.399337 0.085590 0.000000\n-3.125545 5.584783 0.000000\n0.000000 0.000000 5.058087\nCa Mg V\n1 6 1\ndirect\n0.161972 0.338028 0.250000 Ca\n0.181723 0.862629 0.250000 Mg\n0.637371 0.318277 0.250000 Mg\n0.665832 0.834168 0.250000 Mg\n0.344983 0.677961 0.750001 Mg\n0.822039 0.155017 0.750001 Mg\n0.842284 0.657716 0.750001 Mg\n0.343798 0.156202 0.750001 V\n",
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},
{
"id": "jvasp-96569",
"created_at": "2022-09-04T14:36:00.840626Z",
"updated_at": "2022-09-04T14:36:00.840653Z",
"structure_string": "H12 Cl4 O20\n1.0\n8.980661 0.000000 0.000000\n0.000000 5.556552 0.000000\n0.000000 0.000000 7.303956\nH Cl O\n12 4 20\ndirect\n0.724745 0.963805 0.373232 H\n0.224745 0.963805 0.126768 H\n0.275254 0.463805 0.626768 H\n0.775254 0.463805 0.873233 H\n0.273586 0.692751 0.206526 H\n0.141081 0.718156 0.046547 H\n0.773586 0.692751 0.293474 H\n0.641081 0.718156 0.453454 H\n0.726414 0.192751 0.793474 H\n0.858919 0.218156 0.953454 H\n0.226414 0.192751 0.706527 H\n0.358919 0.218156 0.546547 H\n0.576984 0.783913 0.796191 Cl\n0.076984 0.783913 0.703810 Cl\n0.923016 0.283913 0.296190 Cl\n0.423016 0.283913 0.203810 Cl\n0.075441 0.608556 0.854855 O\n0.688578 0.795842 0.342006 O\n0.188578 0.795842 0.157994 O\n0.424559 0.108556 0.354855 O\n0.903324 0.524276 0.215824 O\n0.575441 0.608556 0.645146 O\n0.096676 0.024276 0.784176 O\n0.596676 0.024276 0.715824 O\n0.403324 0.524276 0.284176 O\n0.294855 0.232540 0.085417 O\n0.440703 0.771090 0.896875 O\n0.940703 0.771090 0.603126 O\n0.559297 0.271090 0.103126 O\n0.059297 0.271090 0.396874 O\n0.705145 0.732539 0.914583 O\n0.205145 0.732539 0.585418 O\n0.811422 0.295842 0.842007 O\n0.794855 0.232540 0.414583 O\n0.924559 0.108556 0.145145 O\n0.311422 0.295842 0.657994 O\n",
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"structure_string": "K1 Na4 Cl5\n1.0\n6.198670 0.000261 3.324887\n4.878707 3.823836 3.324887\n-0.015176 -0.005239 9.995992\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.596682 0.596682 0.598662 Na\n0.201295 0.201295 0.207816 Na\n0.798705 0.798706 0.792184 Na\n0.403318 0.403318 0.401339 Na\n0.205630 0.205631 0.685696 Cl\n0.794369 0.794370 0.314305 Cl\n0.390124 0.390125 0.888249 Cl\n-0.000000 -0.000000 0.500000 Cl\n0.609875 0.609876 0.111751 Cl\n",
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{
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"structure_string": "Mg5 Ti1\n1.0\n5.474817 -0.000000 0.000000\n-2.737407 4.741329 -0.000000\n-0.000000 0.000000 5.019113\nMg Ti\n5 1\ndirect\n0.673072 0.000000 0.000000 Mg\n0.326929 0.326929 0.000000 Mg\n-0.000000 0.673071 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.500000 Ti\n",
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{
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"updated_at": "2022-09-04T14:36:37.125438Z",
"structure_string": "Na2 H6 S2 O10\n1.0\n3.369743 3.873931 -1.947130\n-3.369743 3.873931 1.947130\n-0.038891 0.000000 8.163178\nNa H S O\n2 6 2 10\ndirect\n0.948420 0.496464 0.491771 Na\n0.503535 0.051580 0.991771 Na\n0.303088 0.597284 0.780343 H\n0.402716 0.696912 0.280343 H\n0.495723 0.528869 0.695130 H\n0.471131 0.504277 0.195130 H\n0.822907 0.591537 0.002184 H\n0.408463 0.177093 0.502184 H\n0.126038 0.137416 0.244790 S\n0.862583 0.873962 0.744790 S\n0.355005 0.462141 0.740768 O\n0.775365 0.687047 0.653099 O\n0.312953 0.224635 0.153099 O\n0.717991 0.141306 0.629014 O\n0.858693 0.282009 0.129013 O\n0.777750 0.789495 0.922039 O\n0.210505 0.222250 0.422039 O\n0.146967 0.870891 0.813862 O\n0.129109 0.853033 0.313862 O\n0.537858 0.644995 0.240768 O\n",
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{
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"structure_string": "Na8 S16\n1.0\n8.085786 0.029998 -3.829736\n-4.855243 7.403846 -1.287396\n0.019671 -0.029998 8.946866\nNa S\n8 16\ndirect\n0.000000 0.171326 0.171326 Na\n0.000000 0.828674 0.828674 Na\n0.500001 0.578675 0.078674 Na\n0.500001 0.921326 0.421326 Na\n0.525222 0.375000 0.400222 Na\n0.974779 0.599779 0.125000 Na\n0.025222 0.150222 0.625000 Na\n0.474779 0.875000 0.849778 Na\n0.738796 0.283130 0.253433 S\n0.529698 0.235362 0.996567 S\n0.470303 0.466871 0.705666 S\n0.029698 0.746567 0.485362 S\n0.970303 0.455666 0.716871 S\n0.261205 0.514638 0.544334 S\n0.216806 0.014268 0.292282 S\n0.721986 0.707718 0.924524 S\n0.716807 0.042283 0.264268 S\n0.278014 0.202538 0.985732 S\n0.761205 0.294334 0.764638 S\n0.778015 0.735732 0.452538 S\n0.221986 0.674524 0.957718 S\n0.283194 0.547462 0.325476 S\n0.783194 0.075476 0.797462 S\n0.238795 0.003433 0.533130 S\n",
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}