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{
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{
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{
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{
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{
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"structure_string": "Ba2 H32 O20\n1.0\n6.573589 0.000000 0.000000\n-0.507074 6.702108 0.000000\n-0.103480 -0.200693 11.431208\nBa H O\n2 32 20\ndirect\n0.005420 0.012361 0.508906 Ba\n0.990282 0.987691 0.005101 Ba\n0.448978 0.387192 0.434452 H\n0.413160 0.639133 0.953371 H\n0.609199 0.777546 0.632796 H\n0.673579 0.946520 0.733661 H\n0.435799 0.087057 0.650283 H\n0.393967 0.314184 0.625235 H\n0.738396 0.450040 0.618042 H\n0.900042 0.406052 0.523329 H\n0.057472 0.599319 0.654466 H\n0.292641 0.643187 0.629131 H\n0.569961 0.255139 0.094462 H\n0.588911 0.079803 0.002126 H\n0.244983 0.801115 0.234984 H\n0.397297 0.933588 0.149796 H\n0.899700 0.651071 0.194748 H\n0.673673 0.626411 0.131393 H\n0.093554 0.362134 0.236095 H\n0.288421 0.401842 0.146564 H\n0.310738 0.190052 0.294586 H\n0.471412 0.062507 0.363120 H\n0.702746 0.839122 0.284693 H\n0.596753 0.756855 0.398212 H\n0.037539 0.556646 0.375001 H\n0.259563 0.646966 0.405332 H\n0.792427 0.355294 0.359667 H\n0.250963 0.776607 0.800974 H\n0.435356 0.913759 0.865380 H\n0.631562 0.172066 0.837623 H\n0.203885 0.254987 0.786512 H\n0.272991 0.369403 0.902940 H\n0.742761 0.564816 0.911123 H\n0.963631 0.505231 0.873719 H\n0.494401 0.528413 0.588960 O\n0.508996 0.487425 0.090872 O\n0.484173 0.530905 0.459307 O\n0.483956 0.511686 0.963257 O\n0.665358 0.917881 0.644922 O\n0.325935 0.180204 0.650414 O\n0.880367 0.406947 0.611276 O\n0.168803 0.710029 0.657739 O\n0.597113 0.108558 0.088826 O\n0.264478 0.853376 0.155803 O\n0.791248 0.729700 0.167223 O\n0.176296 0.302442 0.175159 O\n0.366282 0.161105 0.373702 O\n0.655440 0.883242 0.364428 O\n0.131062 0.691394 0.372095 O\n0.934738 0.352188 0.383865 O\n0.304546 0.824668 0.879428 O\n0.652116 0.036562 0.861997 O\n0.151634 0.298931 0.863349 O\n0.883449 0.618647 0.893891 O\n",
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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.93315294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9994696,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.218000Z",
"spacegroup": 12
}
]
}