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{
"id": "oqmd-32742",
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"structure_string": "Ca6 H48 Cl12 O24\n1.0\n8.630121 0.000000 0.000000\n0.000000 10.007071 0.000000\n-5.288457 0.000000 11.232760\nCa Cl H O\n6 12 48 24\ndirect\n0.000000 0.000000 0.000000 Ca\n0.255319 0.456689 0.136800 Ca\n0.744681 0.956689 0.363200 Ca\n0.000000 0.500000 0.500000 Ca\n0.255319 0.043311 0.636800 Ca\n0.744681 0.543311 0.863200 Ca\n0.832691 0.778340 0.007714 Cl\n0.747404 0.142629 0.024731 Cl\n0.175778 0.996911 0.238699 Cl\n0.824222 0.496911 0.261301 Cl\n0.252596 0.642629 0.475269 Cl\n0.167309 0.278340 0.492286 Cl\n0.832691 0.721660 0.507714 Cl\n0.747404 0.357371 0.524731 Cl\n0.175778 0.503089 0.738699 Cl\n0.824222 0.003089 0.761301 Cl\n0.252596 0.857371 0.975269 Cl\n0.167309 0.221660 0.992286 Cl\n0.886024 0.333140 0.048263 H\n0.427724 0.680088 0.062043 H\n0.596317 0.056946 0.109011 H\n0.443778 0.978854 0.116761 H\n0.568972 0.569154 0.123122 H\n0.897775 0.457929 0.124616 H\n0.046365 0.695950 0.141953 H\n0.802659 0.812180 0.161703 H\n0.503817 0.215883 0.182314 H\n0.621805 0.344553 0.220380 H\n0.845832 0.157418 0.222720 H\n0.194241 0.206431 0.245022 H\n0.805759 0.706431 0.254978 H\n0.154168 0.657418 0.277280 H\n0.378195 0.844553 0.279620 H\n0.496183 0.715883 0.317686 H\n0.197341 0.312180 0.338297 H\n0.953635 0.195950 0.358047 H\n0.102225 0.957929 0.375384 H\n0.431028 0.069154 0.376878 H\n0.556222 0.478854 0.383239 H\n0.403683 0.556946 0.390989 H\n0.572276 0.180088 0.437957 H\n0.113976 0.833140 0.451737 H\n0.886024 0.166860 0.548263 H\n0.427724 0.819912 0.562043 H\n0.596317 0.443054 0.609011 H\n0.443778 0.521146 0.616761 H\n0.568972 0.930846 0.623122 H\n0.897775 0.042071 0.624616 H\n0.046365 0.804050 0.641953 H\n0.802659 0.687820 0.661703 H\n0.503817 0.284117 0.682314 H\n0.621805 0.155447 0.720380 H\n0.845832 0.342582 0.722720 H\n0.194241 0.293569 0.745022 H\n0.805759 0.793569 0.754978 H\n0.154168 0.842582 0.777280 H\n0.378195 0.655447 0.779620 H\n0.496183 0.784117 0.817686 H\n0.197341 0.187820 0.838297 H\n0.953635 0.304050 0.858047 H\n0.102225 0.542071 0.875384 H\n0.431028 0.430846 0.876878 H\n0.556222 0.021146 0.883239 H\n0.403683 0.943054 0.890989 H\n0.572276 0.319912 0.937957 H\n0.113976 0.666860 0.951737 H\n0.920259 0.427979 0.056310 O\n0.445150 0.584953 0.082504 O\n0.540634 0.038450 0.162310 O\n0.502584 0.314090 0.190715 O\n0.150763 0.648937 0.197480 O\n0.798423 0.803576 0.239526 O\n0.201577 0.303576 0.260474 O\n0.849237 0.148937 0.302520 O\n0.497416 0.814090 0.309285 O\n0.459366 0.538450 0.337690 O\n0.554850 0.084953 0.417496 O\n0.079741 0.927979 0.443690 O\n0.920259 0.072021 0.556310 O\n0.445150 0.915047 0.582504 O\n0.540634 0.461550 0.662310 O\n0.502584 0.185910 0.690715 O\n0.150763 0.851063 0.697480 O\n0.798423 0.696424 0.739526 O\n0.201577 0.196424 0.760474 O\n0.849237 0.351063 0.802520 O\n0.497416 0.685910 0.809285 O\n0.459366 0.961550 0.837690 O\n0.554850 0.415047 0.917496 O\n0.079741 0.572021 0.943690 O\n",
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{
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"created_at": "2022-09-04T15:33:43.927208Z",
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"structure_string": "Cu48 Ge6 Se36\n1.0\n12.745210 -0.000063 0.000000\n-6.372659 11.037644 0.000000\n0.000000 0.000000 11.814295\nCu Ge Se\n48 6 36\ndirect\n0.838493 0.195259 0.054702 Cu\n0.195260 0.838493 0.054702 Cu\n0.356766 0.161508 0.054702 Cu\n0.161509 0.356766 0.054702 Cu\n0.804742 0.643232 0.054703 Cu\n0.643232 0.804742 0.054703 Cu\n0.538070 0.000000 0.270562 Cu\n0.000000 0.538070 0.270562 Cu\n0.461931 0.461931 0.270563 Cu\n0.809502 0.141974 0.336099 Cu\n0.858024 0.667527 0.336099 Cu\n0.141974 0.809502 0.336099 Cu\n0.667527 0.858024 0.336099 Cu\n0.332473 0.190502 0.336103 Cu\n0.190502 0.332472 0.336103 Cu\n0.870016 0.357890 0.429867 Cu\n0.357891 0.870016 0.429867 Cu\n0.487875 0.129985 0.429869 Cu\n0.129985 0.487875 0.429869 Cu\n0.642113 0.512127 0.429869 Cu\n0.512126 0.642113 0.429869 Cu\n0.813055 0.813055 0.459306 Cu\n0.186943 0.000000 0.459308 Cu\n0.000000 0.186944 0.459308 Cu\n0.804740 0.161506 0.554702 Cu\n0.161507 0.804741 0.554702 Cu\n0.356768 0.195258 0.554703 Cu\n0.195258 0.356767 0.554703 Cu\n0.838491 0.643234 0.554703 Cu\n0.643234 0.838492 0.554703 Cu\n0.461930 0.000000 0.770561 Cu\n0.000000 0.461930 0.770561 Cu\n0.538069 0.538069 0.770563 Cu\n0.332473 0.141976 0.836099 Cu\n0.858026 0.190498 0.836099 Cu\n0.141976 0.332473 0.836099 Cu\n0.190498 0.858026 0.836099 Cu\n0.809498 0.667528 0.836103 Cu\n0.667528 0.809498 0.836103 Cu\n0.642109 0.129984 0.929868 Cu\n0.129984 0.642110 0.929868 Cu\n0.870015 0.512125 0.929868 Cu\n0.512125 0.870015 0.929868 Cu\n0.487874 0.357887 0.929869 Cu\n0.357887 0.487873 0.929869 Cu\n0.186944 0.186945 0.959306 Cu\n0.813057 0.000000 0.959308 Cu\n0.000000 0.813057 0.959308 Cu\n0.666665 0.333334 0.173028 Ge\n0.333334 0.666665 0.173028 Ge\n0.000000 0.000000 0.201190 Ge\n0.666666 0.333335 0.673027 Ge\n0.333335 0.666666 0.673027 Ge\n0.000000 0.000000 0.701190 Ge\n0.000000 0.000000 0.000263 Se\n0.651356 0.000000 0.078250 Se\n0.000000 0.651356 0.078250 Se\n0.348644 0.348643 0.078251 Se\n0.843135 0.324369 0.223236 Se\n0.675629 0.518764 0.223236 Se\n0.518764 0.675629 0.223236 Se\n0.324369 0.843136 0.223236 Se\n0.481227 0.156858 0.223237 Se\n0.156858 0.481228 0.223237 Se\n0.817743 0.817743 0.247169 Se\n0.182257 0.000000 0.247172 Se\n0.000000 0.182257 0.247172 Se\n0.640333 0.000000 0.444019 Se\n0.000000 0.640333 0.444019 Se\n0.359668 0.359668 0.444024 Se\n0.666667 0.333334 0.471657 Se\n0.333334 0.666668 0.471657 Se\n0.000000 0.000000 0.500263 Se\n0.348644 0.000000 0.578250 Se\n0.000000 0.348644 0.578250 Se\n0.651356 0.651357 0.578251 Se\n0.481236 0.324371 0.723235 Se\n0.324371 0.481237 0.723235 Se\n0.675631 0.156864 0.723236 Se\n0.156865 0.675631 0.723236 Se\n0.843142 0.518772 0.723237 Se\n0.518773 0.843142 0.723237 Se\n0.182257 0.182257 0.747169 Se\n0.817743 0.000000 0.747172 Se\n0.000000 0.817742 0.747172 Se\n0.359666 0.000000 0.944019 Se\n0.000000 0.359667 0.944019 Se\n0.640332 0.640332 0.944024 Se\n0.666667 0.333333 0.971657 Se\n0.333333 0.666666 0.971657 Se\n",
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