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{
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{
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{
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{
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"created_at": "2022-09-04T14:44:02.613167Z",
"structure_string": "Ba2 C4 O10\n1.0\n4.084490 5.268496 0.000000\n-4.084490 5.268496 0.000000\n0.000000 3.826497 5.839816\nBa C O\n2 4 10\ndirect\n0.721858 0.721858 0.179153 Ba\n0.278142 0.278142 0.820847 Ba\n0.462342 0.253598 0.262245 C\n0.537658 0.746402 0.737755 C\n0.746402 0.537658 0.737755 C\n0.253598 0.462342 0.262245 C\n0.572246 0.244567 0.371646 O\n0.427754 0.755433 0.628354 O\n0.755433 0.427754 0.628354 O\n0.244567 0.572246 0.371646 O\n0.478855 0.144387 0.148607 O\n0.521145 0.855613 0.851393 O\n0.855613 0.521145 0.851393 O\n0.144387 0.478855 0.148607 O\n0.977995 0.977995 0.177165 O\n0.022005 0.022005 0.822835 O\n",
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{
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"structure_string": "Ba6 C12 N12 O12\n1.0\n13.725175 -3.591293 0.000000\n13.725175 3.591293 0.000000\n12.785487 0.000000 6.148914\nBa C N O\n6 12 12 12\ndirect\n0.148812 0.148812 0.148812 Ba\n0.648812 0.648812 0.648812 Ba\n0.851188 0.851188 0.851188 Ba\n0.351188 0.351188 0.351188 Ba\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.496669 0.260891 0.626014 C\n0.626014 0.496669 0.260891 C\n0.260891 0.626014 0.496669 C\n0.126014 0.760891 0.996669 C\n0.996669 0.126014 0.760891 C\n0.760891 0.996669 0.126014 C\n0.503331 0.739109 0.373986 C\n0.373986 0.503331 0.739109 C\n0.739109 0.373986 0.503331 C\n0.873986 0.239109 0.003331 C\n0.003331 0.873986 0.239109 C\n0.239109 0.003331 0.873986 C\n0.288190 0.423964 0.669389 N\n0.669389 0.288190 0.423964 N\n0.423964 0.669389 0.288190 N\n0.169389 0.923964 0.788190 N\n0.788190 0.169389 0.923964 N\n0.923964 0.788190 0.169389 N\n0.711810 0.576036 0.330611 N\n0.330611 0.711810 0.576036 N\n0.576036 0.330611 0.711810 N\n0.830611 0.076036 0.211810 N\n0.211810 0.830611 0.076036 N\n0.076036 0.211810 0.830611 N\n0.067782 0.792067 0.529959 O\n0.529959 0.067782 0.792067 O\n0.792067 0.529959 0.067782 O\n0.029959 0.292067 0.567782 O\n0.567782 0.029959 0.292067 O\n0.292067 0.567782 0.029959 O\n0.932218 0.207933 0.470041 O\n0.470041 0.932218 0.207933 O\n0.207933 0.470041 0.932218 O\n0.970041 0.707933 0.432218 O\n0.432218 0.970041 0.707933 O\n0.707933 0.432218 0.970041 O\n",
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{
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