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{
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{
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{
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"structure_string": "Sr2 Sc8 Si10 O34\n1.0\n19.450895 0.000000 0.000000\n0.000000 5.332766 0.000000\n0.000000 1.891136 6.357457\nSr Sc Si O\n2 8 10 34\ndirect\n0.250000 0.767403 0.777250 Sr\n0.750000 0.232597 0.222750 Sr\n0.037973 0.696261 0.112033 Sc\n0.537973 0.303739 0.887967 Sc\n0.962027 0.303739 0.887967 Sc\n0.462027 0.696261 0.112033 Sc\n0.159921 0.358270 0.462144 Sc\n0.659921 0.641730 0.537856 Sc\n0.840079 0.641730 0.537856 Sc\n0.340079 0.358270 0.462144 Sc\n0.250000 0.938026 0.258348 Si\n0.750000 0.061974 0.741652 Si\n0.132993 0.234991 0.985068 Si\n0.632993 0.765009 0.014932 Si\n0.867007 0.765009 0.014932 Si\n0.367007 0.234991 0.985068 Si\n0.063305 0.802445 0.590501 Si\n0.563305 0.197555 0.409499 Si\n0.936695 0.197555 0.409499 Si\n0.436695 0.802445 0.590501 Si\n0.250000 0.149750 0.395611 O\n0.750000 0.850250 0.604389 O\n0.250000 0.636523 0.408295 O\n0.750000 0.363477 0.591705 O\n0.183452 0.978115 0.099003 O\n0.683452 0.021885 0.900997 O\n0.816548 0.021885 0.900997 O\n0.316548 0.978115 0.099003 O\n0.170910 0.389095 0.766148 O\n0.670910 0.610905 0.233852 O\n0.829090 0.610905 0.233852 O\n0.329090 0.389095 0.766148 O\n0.059514 0.092057 0.966856 O\n0.559514 0.907943 0.033144 O\n0.940486 0.907943 0.033144 O\n0.440486 0.092057 0.966856 O\n0.127485 0.421597 0.144914 O\n0.627485 0.578403 0.855086 O\n0.872515 0.578403 0.855086 O\n0.372515 0.421597 0.144914 O\n0.131941 0.972820 0.602017 O\n0.631941 0.027180 0.397983 O\n0.868059 0.027180 0.397983 O\n0.368059 0.972820 0.602017 O\n0.035315 0.614561 0.818803 O\n0.535315 0.385439 0.181197 O\n0.964685 0.385439 0.181197 O\n0.464685 0.614561 0.818803 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.075481 0.626571 0.423701 O\n0.575481 0.373429 0.576299 O\n0.924519 0.373429 0.576299 O\n0.424519 0.626571 0.423701 O\n",
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"formula_full": "Sr2 Sc8 Si10 O34",
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{
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"created_at": "2022-09-04T14:43:55.601711Z",
"structure_string": "Rb4 Pd2 N4 Cl4 O8\n1.0\n3.926783 -7.688663 0.000000\n3.926783 7.688663 0.000000\n0.000000 0.000000 7.907219\nRb Pd N Cl O\n4 2 4 4 8\ndirect\n0.136592 0.863408 0.000000 Rb\n0.363408 0.636592 0.500000 Rb\n0.636592 0.363408 0.500000 Rb\n0.863408 0.136592 0.000000 Rb\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.866952 0.133048 0.500000 N\n0.633048 0.366952 0.000000 N\n0.366952 0.633048 0.000000 N\n0.133048 0.866952 0.500000 N\n0.288570 0.288570 0.211335 Cl\n0.711430 0.711430 0.788665 Cl\n0.788570 0.788570 0.288665 Cl\n0.211430 0.211430 0.711335 Cl\n0.571952 0.223981 0.907694 O\n0.928048 0.276019 0.407694 O\n0.071952 0.723981 0.592306 O\n0.723981 0.071952 0.592306 O\n0.276019 0.928048 0.407694 O\n0.223981 0.571952 0.907694 O\n0.428048 0.776019 0.092306 O\n0.776019 0.428048 0.092306 O\n",
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{
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{
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"structure_string": "Zn2 H24 C4 S4 N8 Cl4 O8\n1.0\n14.472108 0.000000 0.000000\n0.000000 4.936248 0.000000\n0.000000 0.000000 9.391231\nZn H C S N Cl O\n2 24 4 4 8 4 8\ndirect\n0.000000 0.410019 0.337056 Zn\n0.500000 0.589981 0.837056 Zn\n0.630260 0.243921 0.268145 H\n0.369740 0.243921 0.268145 H\n0.869740 0.756079 0.768145 H\n0.130260 0.756079 0.768145 H\n0.587404 0.010400 0.401855 H\n0.412596 0.010400 0.401855 H\n0.912596 0.989600 0.901855 H\n0.087404 0.989600 0.901855 H\n0.669270 0.264650 0.451362 H\n0.330730 0.264650 0.451362 H\n0.830730 0.735350 0.951362 H\n0.169270 0.735350 0.951362 H\n0.833827 0.153530 0.193420 H\n0.166173 0.153530 0.193420 H\n0.666173 0.846470 0.693420 H\n0.333827 0.846470 0.693420 H\n0.833228 0.363033 0.437201 H\n0.166772 0.363033 0.437201 H\n0.666772 0.636967 0.937201 H\n0.333228 0.636967 0.937201 H\n0.892333 0.081999 0.480490 H\n0.107667 0.081999 0.480490 H\n0.607667 0.918001 0.980490 H\n0.392333 0.918001 0.980490 H\n0.646686 0.130273 0.365181 C\n0.353314 0.130273 0.365181 C\n0.853314 0.869727 0.865181 C\n0.146686 0.869727 0.865181 C\n0.735328 0.892236 0.327367 S\n0.264672 0.892236 0.327367 S\n0.764672 0.107764 0.827367 S\n0.235328 0.107764 0.827367 S\n0.833552 0.056076 0.289803 N\n0.166448 0.056076 0.289803 N\n0.666448 0.943924 0.789803 N\n0.333552 0.943924 0.789803 N\n0.876095 0.212898 0.398778 N\n0.123905 0.212898 0.398778 N\n0.623905 0.787102 0.898778 N\n0.376095 0.787102 0.898778 N\n0.000000 0.717784 0.516724 Cl\n0.500000 0.282216 0.016724 Cl\n0.000000 0.418859 0.100784 Cl\n0.500000 0.581141 0.600784 Cl\n0.713490 0.747105 0.198266 O\n0.286510 0.747105 0.198266 O\n0.786510 0.252895 0.698266 O\n0.213490 0.252895 0.698266 O\n0.753806 0.743028 0.457855 O\n0.246194 0.743028 0.457855 O\n0.746194 0.256972 0.957855 O\n0.253806 0.256972 0.957855 O\n",
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"formula_full": "Zn2 H24 C4 S4 N8 Cl4 O8",
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{
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},
{
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{
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"structure_string": "Cs1 H1\n1.0\n0.000000 3.222681 3.222681\n3.222681 0.000000 3.222681\n3.222681 3.222681 0.000000\nCs H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 H\n",
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{
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"structure_string": "Cu2 H56 C20 N12 Cl8\n1.0\n0.000000 -8.715877 0.000000\n-9.994584 -4.357938 0.000000\n-0.612668 -4.357938 -12.931279\nCu H C N Cl\n2 56 20 12 8\ndirect\n0.219107 0.250000 0.750000 Cu\n0.780893 0.750000 0.250000 Cu\n0.812785 0.197980 0.929993 H\n0.940758 0.302020 0.570007 H\n0.187215 0.802020 0.070007 H\n0.059242 0.697980 0.429993 H\n0.384472 0.311748 0.126157 H\n0.822377 0.188252 0.373843 H\n0.615528 0.688252 0.873843 H\n0.177623 0.811748 0.626157 H\n0.929446 0.193578 0.017659 H\n0.140682 0.306422 0.482341 H\n0.070554 0.806422 0.982341 H\n0.859318 0.693578 0.517659 H\n0.316231 0.370585 0.291794 H\n0.978610 0.129415 0.208206 H\n0.683769 0.629415 0.708206 H\n0.021390 0.870585 0.791794 H\n0.534434 0.248048 0.276746 H\n0.059227 0.251952 0.223254 H\n0.465566 0.751952 0.723254 H\n0.940773 0.748048 0.776746 H\n0.311597 0.613835 0.241899 H\n0.167331 0.886165 0.258101 H\n0.688403 0.386165 0.758101 H\n0.832669 0.113835 0.741899 H\n0.776653 0.503327 0.093269 H\n0.373249 0.996673 0.406731 H\n0.223347 0.496673 0.906731 H\n0.626751 0.003327 0.593269 H\n0.506784 0.594610 0.272026 H\n0.373420 0.905390 0.227974 H\n0.493216 0.405390 0.727974 H\n0.626580 0.094610 0.772026 H\n0.514484 0.139369 0.152829 H\n0.806682 0.360631 0.347171 H\n0.485516 0.860631 0.847171 H\n0.193318 0.639369 0.652829 H\n0.505922 0.198636 0.023964 H\n0.728521 0.301364 0.476036 H\n0.494078 0.801364 0.976036 H\n0.271479 0.698636 0.523964 H\n0.456017 0.387361 0.355755 H\n0.199133 0.112639 0.144245 H\n0.543983 0.612639 0.644245 H\n0.800867 0.887361 0.855755 H\n0.828506 0.073524 0.034315 H\n0.936345 0.426476 0.465685 H\n0.171494 0.926476 0.965685 H\n0.063655 0.573524 0.534315 H\n0.827300 0.417682 0.983381 H\n0.228363 0.082318 0.516619 H\n0.172700 0.582318 0.016619 H\n0.771637 0.917682 0.483381 H\n0.493786 0.631683 0.141536 H\n0.267005 0.868317 0.358464 H\n0.506214 0.368317 0.858464 H\n0.732995 0.131683 0.641536 H\n0.643100 0.379236 0.111396 C\n0.133732 0.120764 0.388604 C\n0.356900 0.620764 0.888604 C\n0.866268 0.879236 0.611396 C\n0.452122 0.354397 0.285135 C\n0.091654 0.145603 0.214865 C\n0.547878 0.645603 0.714865 C\n0.908346 0.854397 0.785135 C\n0.454666 0.577353 0.214171 C\n0.246189 0.922647 0.285829 C\n0.545334 0.422647 0.785829 C\n0.753811 0.077353 0.714171 C\n0.816797 0.177637 0.011072 C\n0.005506 0.322363 0.488928 C\n0.183203 0.822363 0.988928 C\n0.994494 0.677637 0.511072 C\n0.505098 0.226599 0.097860 C\n0.829557 0.273401 0.402140 C\n0.494902 0.773401 0.902140 C\n0.170443 0.726599 0.597860 C\n0.517947 0.434651 0.197169 N\n0.149768 0.065349 0.302831 N\n0.482053 0.565349 0.802831 N\n0.850232 0.934651 0.697169 N\n0.754313 0.439752 0.057873 N\n0.251938 0.060248 0.442127 N\n0.245687 0.560248 0.942127 N\n0.748062 0.939752 0.557873 N\n0.655982 0.264214 0.079433 N\n0.999629 0.235786 0.420567 N\n0.344018 0.735786 0.920567 N\n0.000371 0.764214 0.579433 N\n0.994450 0.449401 0.801746 Cl\n0.245597 0.050599 0.698254 Cl\n0.005550 0.550599 0.198254 Cl\n0.754403 0.949401 0.301746 Cl\n0.363972 0.315774 0.594751 Cl\n0.274497 0.184226 0.905249 Cl\n0.636028 0.684226 0.405249 Cl\n0.725503 0.815774 0.094751 Cl\n",
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}
]
}