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{
"id": "jvasp-101823",
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"structure_string": "H4 C6 S2 O4\n1.0\n5.338804 0.013718 0.473181\n2.167993 5.032535 0.332034\n0.130679 -0.011362 7.669391\nH C S O\n4 6 2 4\ndirect\n0.703144 0.439344 0.068003 H\n0.203121 0.439392 0.568005 H\n0.575267 0.763804 0.154536 H\n0.075282 0.763841 0.654551 H\n0.725545 0.557166 0.170672 C\n0.225548 0.557194 0.670677 C\n0.004168 0.564692 0.143827 C\n0.504178 0.564697 0.643824 C\n0.182200 0.444882 0.850062 C\n0.682193 0.444865 0.350060 C\n0.274740 0.129580 0.900229 S\n0.774706 0.129568 0.400234 S\n0.063407 0.642831 0.966393 O\n0.563420 0.642822 0.466387 O\n0.159594 0.541008 0.251580 O\n0.659613 0.541008 0.751574 O\n",
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"structure_string": "Cu4 Te8 Cl4\n1.0\n0.000000 8.245219 0.000117\n5.040777 0.000000 0.000000\n0.000000 -5.582873 -10.779231\nCu Te Cl\n4 8 4\ndirect\n0.827718 0.856894 0.252139 Cu\n0.172283 0.356894 0.247861 Cu\n0.172283 0.143107 0.747861 Cu\n0.827718 0.643107 0.752139 Cu\n0.581658 0.209173 0.139269 Te\n0.418342 0.709174 0.360730 Te\n0.418342 0.790827 0.860730 Te\n0.581658 0.290827 0.639269 Te\n0.264833 0.009767 0.133377 Te\n0.735167 0.509768 0.366623 Te\n0.735167 0.990233 0.866623 Te\n0.264833 0.490233 0.633377 Te\n0.089775 0.104905 0.378764 Cl\n0.910225 0.604905 0.121236 Cl\n0.910225 0.895096 0.621236 Cl\n0.089775 0.395096 0.878764 Cl\n",
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{
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"created_at": "2022-09-04T14:36:46.189291Z",
"updated_at": "2022-09-04T14:36:46.189325Z",
"structure_string": "Na4 Zn2 Ge2 O8\n1.0\n0.000000 5.377056 0.001544\n5.633292 0.000000 0.000000\n0.000000 -5.363630 -7.192734\nNa Zn Ge O\n4 2 2 8\ndirect\n0.511222 0.821263 0.003321 Na\n0.258556 0.320524 0.748163 Na\n0.511222 0.178737 0.503320 Na\n0.258556 0.679476 0.248163 Na\n0.997170 0.185699 0.998098 Zn\n0.997170 0.814300 0.498098 Zn\n0.745563 0.683744 0.750630 Ge\n0.745563 0.316256 0.250630 Ge\n0.390903 0.295526 0.226300 O\n0.390903 0.704474 0.726300 O\n0.676855 0.795545 0.542981 O\n0.676855 0.204454 0.042982 O\n0.037964 0.844604 0.955375 O\n0.855770 0.622126 0.275131 O\n0.855770 0.377873 0.775131 O\n0.037964 0.155396 0.455375 O\n",
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{
"id": "jvasp-51023",
"created_at": "2022-09-04T14:36:57.125325Z",
"updated_at": "2022-09-04T14:36:57.125352Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.922629 -0.011761 -0.008578\n-0.388182 5.675856 -0.005688\n-0.299648 -0.094374 7.419214\nSr H O\n2 8 6\ndirect\n0.991486 0.363596 0.292829 Sr\n0.986170 0.633690 0.768215 Sr\n0.323002 0.963158 0.154702 H\n0.781169 0.853669 0.137233 H\n0.785872 0.100327 0.658725 H\n0.201933 0.104894 0.659863 H\n0.482780 0.390109 0.557450 H\n0.485464 0.824847 0.576545 H\n0.452725 0.274917 0.010296 H\n0.595365 0.552209 0.019685 H\n0.906854 0.718253 0.100676 O\n0.002448 0.206875 0.630214 O\n0.464027 0.110910 0.180723 O\n0.486810 0.917613 0.690721 O\n0.526686 0.527263 0.481371 O\n0.457855 0.429011 0.936724 O\n",
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{
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"structure_string": "Yb4 F12\n1.0\n4.105835 0.000000 0.000000\n0.000000 6.433088 0.000000\n0.000000 0.000000 7.046481\nYb F\n4 12\ndirect\n0.932922 0.614295 0.750000 Yb\n0.432923 0.885705 0.250000 Yb\n0.567076 0.114295 0.750000 Yb\n0.067076 0.385705 0.250000 Yb\n0.072125 0.961885 0.750000 F\n0.572125 0.538115 0.250000 F\n0.427874 0.461885 0.750000 F\n0.927873 0.038115 0.250000 F\n0.390002 0.183084 0.054361 F\n0.890001 0.316916 0.945639 F\n0.109998 0.683084 0.445639 F\n0.609997 0.816916 0.554361 F\n0.609997 0.816916 0.945639 F\n0.109998 0.683084 0.054361 F\n0.890001 0.316916 0.554361 F\n0.390002 0.183084 0.445639 F\n",
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{
"id": "jvasp-96960",
"created_at": "2022-09-04T14:36:40.177835Z",
"updated_at": "2022-09-04T14:36:40.177859Z",
"structure_string": "Dy5 Sn11\n1.0\n4.353211 0.000015 -0.440998\n-0.046245 4.422507 -0.456760\n0.002444 0.008962 21.736052\nDy Sn\n5 11\ndirect\n0.807311 0.307398 0.614626 Dy\n0.617255 0.617196 0.234535 Dy\n0.000000 0.000000 0.000000 Dy\n0.192687 0.692603 0.385374 Dy\n0.382743 0.382806 0.765465 Dy\n0.439675 0.939706 0.879374 Sn\n0.131679 0.131652 0.263422 Sn\n0.249370 0.249337 0.498737 Sn\n0.560323 0.060295 0.120626 Sn\n0.320294 0.820392 0.640575 Sn\n0.750628 0.750664 0.501263 Sn\n0.059913 0.559862 0.119850 Sn\n0.940085 0.440139 0.880150 Sn\n0.868319 0.868349 0.736578 Sn\n0.499999 0.500001 -0.000000 Sn\n0.679704 0.179609 0.359424 Sn\n",
"nsites": 16,
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},
{
"id": "jvasp-101911",
"created_at": "2022-09-04T14:36:45.598336Z",
"updated_at": "2022-09-04T14:36:45.598359Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.984118 0.162177 0.063894\n2.102378 4.238428 1.060668\n-0.097805 -0.072352 7.411483\nZn H C O\n1 6 5 4\ndirect\n0.859134 0.420269 0.262069 Zn\n0.351703 0.768420 0.609554 H\n0.006945 0.072168 0.656451 H\n0.918156 0.575620 0.824132 H\n0.429951 0.151763 0.747417 H\n0.123836 0.708212 0.941838 H\n0.614742 0.282857 0.886040 H\n0.956181 0.802260 0.478724 C\n0.118605 0.822371 0.644154 C\n0.128094 0.596891 0.825853 C\n0.403472 0.265226 0.865325 C\n0.404265 0.036180 0.039079 C\n-0.006119 0.524313 0.473292 O\n0.787375 0.049852 0.353770 O\n0.234167 0.128875 0.163050 O\n0.595533 0.739933 0.051750 O\n",
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"formula_full": "Zn1 H6 C5 O4",
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{
"id": "jvasp-13071",
"created_at": "2022-09-04T14:37:00.828899Z",
"updated_at": "2022-09-04T14:37:00.828934Z",
"structure_string": "Ta2 Ag2 F12\n1.0\n5.035700 -0.000000 0.000000\n0.000000 5.035700 0.000000\n0.000000 0.000000 9.443896\nTa Ag F\n2 2 12\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.250000 Ag\n0.500000 0.500000 0.750000 Ag\n0.807242 0.192758 0.856765 F\n0.192758 0.807242 0.856765 F\n0.192758 0.807242 0.143235 F\n0.192758 0.192758 0.356765 F\n0.728901 0.728901 0.000000 F\n0.271099 0.728901 0.500000 F\n0.728901 0.271099 0.500000 F\n0.271099 0.271099 0.000000 F\n0.807242 0.192758 0.143235 F\n0.807242 0.807242 0.643236 F\n0.192758 0.192758 0.643236 F\n0.807242 0.807242 0.356765 F\n",
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{
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"structure_string": "Cd1 H6 C5 O4\n1.0\n4.066197 -0.096767 0.805809\n1.868403 4.145200 0.179873\n0.151667 -0.041712 8.550413\nCd H C O\n1 6 5 4\ndirect\n0.908491 0.082441 0.768088 Cd\n0.468148 0.709535 0.424053 H\n0.586876 0.340182 0.321686 H\n0.859469 0.890725 0.352138 H\n0.027550 0.105226 0.114645 H\n0.021910 0.544661 0.225417 H\n0.422505 0.992724 0.184300 H\n0.191301 0.427034 0.536183 C\n0.361639 0.546124 0.386625 C\n0.101757 0.715194 0.277464 C\n0.246821 0.895561 0.144172 C\n0.456279 0.709704 0.987279 C\n0.181555 0.527113 0.675264 O\n0.067255 0.215305 0.518795 O\n0.614996 0.408947 0.988214 O\n0.460444 0.872352 0.859340 O\n",
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{
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"created_at": "2022-09-04T14:36:42.852061Z",
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"structure_string": "Mn4 H4 O8\n1.0\n2.932468 0.000000 0.000000\n-0.000000 4.576425 0.000000\n0.000000 0.000000 10.523034\nMn H O\n4 4 8\ndirect\n0.250000 0.554298 0.639951 Mn\n0.250000 0.945701 0.139951 Mn\n0.750000 0.445701 0.360049 Mn\n0.750000 0.054298 0.860049 Mn\n0.250000 0.902139 0.397703 H\n0.250000 0.597860 0.897703 H\n0.750000 0.097860 0.602297 H\n0.750000 0.402139 0.102297 H\n0.250000 0.198976 0.308849 O\n0.250000 0.301024 0.808849 O\n0.750000 0.801023 0.691150 O\n0.750000 0.698975 0.191151 O\n0.250000 0.695829 0.433626 O\n0.250000 0.804170 0.933626 O\n0.750000 0.304170 0.566374 O\n0.750000 0.195829 0.066374 O\n",
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},
{
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"created_at": "2022-09-04T14:36:53.272332Z",
"updated_at": "2022-09-04T14:36:53.272359Z",
"structure_string": "Zn2 Ag4 Ge2 O8\n1.0\n0.000000 5.641364 -0.010798\n5.580096 0.000000 0.000000\n0.000000 -5.555581 -7.149651\nZn Ag Ge O\n2 4 2 8\ndirect\n0.994507 0.815389 0.497686 Zn\n0.994507 0.184611 0.997686 Zn\n0.525473 0.192568 0.513426 Ag\n0.525473 0.807433 0.013426 Ag\n0.734265 0.297065 0.234768 Ag\n0.734265 0.702935 0.734768 Ag\n0.249078 0.680016 0.249344 Ge\n0.249078 0.319985 0.749344 Ge\n0.596325 0.297515 0.784952 O\n0.596325 0.702486 0.284952 O\n0.289212 0.797591 0.447108 O\n0.289212 0.202409 0.947108 O\n0.142262 0.628099 0.723629 O\n0.966876 0.159385 0.541089 O\n0.142262 0.371902 0.223629 O\n0.966876 0.840615 0.041089 O\n",
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{
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"created_at": "2022-09-04T14:36:46.829259Z",
"updated_at": "2022-09-04T14:36:46.829281Z",
"structure_string": "Li4 Fe2 Si2 O8\n1.0\n4.919683 0.151595 -0.053115\n0.220000 5.377016 -0.097415\n-0.052179 0.053405 6.278204\nLi Fe Si O\n4 2 2 8\ndirect\n0.493332 0.838147 0.501553 Li\n0.983224 0.654285 0.736491 Li\n0.509797 0.339950 0.267589 Li\n0.007910 0.155960 0.500386 Li\n0.012930 0.144923 0.004069 Fe\n0.434146 0.844848 -0.003259 Fe\n-0.005721 0.663969 0.261223 Si\n0.512364 0.336217 0.741249 Si\n0.871668 0.810619 0.036940 O\n0.883199 0.812577 0.471487 O\n0.331181 0.673208 0.251246 O\n0.390879 0.631211 0.746177 O\n0.912346 0.370992 0.249572 O\n0.850646 0.318574 0.750564 O\n0.399872 0.188791 0.534983 O\n0.419505 0.213133 0.972467 O\n",
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}
]
}