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{
"id": "mp-626726",
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"structure_string": "Ba2 H8 O6\n1.0\n4.224368 0.000000 0.000000\n0.000000 6.464798 0.000000\n0.000000 2.494486 6.771227\nBa H O\n2 8 6\ndirect\n0.250000 0.853853 0.280838 Ba\n0.750000 0.146147 0.719162 Ba\n0.750000 0.653329 0.056379 H\n0.250000 0.346671 0.943620 H\n0.750000 0.227477 0.164719 H\n0.250000 0.772523 0.835281 H\n0.560892 0.683924 0.660462 H\n0.939108 0.683924 0.660462 H\n0.439108 0.316076 0.339538 H\n0.060892 0.316076 0.339538 H\n0.750000 0.613621 0.618901 O\n0.250000 0.386379 0.381099 O\n0.750000 0.798456 0.067701 O\n0.250000 0.201544 0.932299 O\n0.750000 0.171759 0.308564 O\n0.250000 0.828241 0.691436 O\n",
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{
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"structure_string": "Ba8 H16 O16\n1.0\n6.869420 0.000000 0.000000\n-0.150744 8.139824 0.000000\n-1.331916 -0.069049 9.398103\nBa H O\n8 16 16\ndirect\n0.736468 0.861820 0.097776 Ba\n0.241628 0.644125 0.600192 Ba\n0.243403 0.147059 0.903042 Ba\n0.742904 0.351119 0.405774 Ba\n0.709861 0.924601 0.653734 Ba\n0.216750 0.553495 0.170934 Ba\n0.279415 0.038300 0.321881 Ba\n0.789243 0.445839 0.815627 Ba\n0.813610 0.952716 0.374137 H\n0.141144 0.615165 0.879753 H\n0.366513 0.106058 0.621641 H\n0.693350 0.454339 0.114690 H\n0.656553 0.155313 0.824494 H\n0.092212 0.315128 0.314118 H\n0.227903 0.844686 0.023003 H\n0.722085 0.645539 0.510246 H\n0.887659 0.181986 0.064618 H\n0.376797 0.326015 0.546277 H\n0.879794 0.765958 0.874638 H\n0.543067 0.761261 0.357031 H\n0.048368 0.147227 0.626535 H\n0.550024 0.219504 0.128841 H\n0.952157 0.712659 0.376328 H\n0.461702 0.651197 0.875054 H\n0.684486 0.004961 0.369592 O\n0.191463 0.501160 0.875859 O\n0.311044 0.992448 0.616450 O\n0.805297 0.531109 0.114928 O\n0.646691 0.129250 0.922994 O\n0.142749 0.371427 0.403964 O\n0.346604 0.869073 0.091935 O\n0.849764 0.629970 0.575224 O\n0.013447 0.161111 0.124597 O\n0.498302 0.315031 0.614251 O\n0.013070 0.811729 0.883272 O\n0.499321 0.660579 0.400146 O\n0.942806 0.192619 0.674234 O\n0.461451 0.289195 0.173255 O\n0.030120 0.791295 0.328923 O\n0.561787 0.704074 0.824665 O\n",
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{
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"structure_string": "Ba2 H32 O20\n1.0\n6.487811 0.000000 0.000000\n0.000000 6.492955 0.000000\n0.000000 0.018019 11.454681\nBa H O\n2 32 20\ndirect\n0.998933 0.994689 0.748835 Ba\n0.001067 0.994689 0.248835 Ba\n0.045088 0.454729 0.624977 H\n0.282690 0.396911 0.647384 H\n0.721145 0.589329 0.648899 H\n0.849771 0.660090 0.535306 H\n0.591636 0.273025 0.650308 H\n0.662084 0.150815 0.535196 H\n0.401222 0.717526 0.645184 H\n0.446992 0.958608 0.623873 H\n0.717310 0.396911 0.147384 H\n0.954912 0.454729 0.124977 H\n0.278855 0.589329 0.148899 H\n0.150229 0.660090 0.035306 H\n0.408364 0.273025 0.150308 H\n0.337916 0.150815 0.035196 H\n0.553008 0.958608 0.123873 H\n0.598778 0.717526 0.145184 H\n0.955815 0.532121 0.375579 H\n0.717827 0.593986 0.356119 H\n0.156762 0.332491 0.464728 H\n0.277072 0.399409 0.348958 H\n0.403064 0.717863 0.352996 H\n0.328068 0.844961 0.466351 H\n0.542803 0.040143 0.374933 H\n0.600229 0.278843 0.355163 H\n0.044185 0.532121 0.875579 H\n0.282173 0.593986 0.856119 H\n0.843238 0.332491 0.964728 H\n0.722928 0.399409 0.848958 H\n0.596936 0.717863 0.852996 H\n0.671932 0.844961 0.966351 H\n0.457197 0.040143 0.874933 H\n0.399771 0.278843 0.855163 H\n0.499535 0.496955 0.687493 O\n0.500465 0.496955 0.187493 O\n0.497903 0.496312 0.313939 O\n0.502097 0.496312 0.813939 O\n0.146376 0.339505 0.616802 O\n0.859287 0.648970 0.622394 O\n0.648446 0.135950 0.621929 O\n0.336897 0.851144 0.615860 O\n0.853624 0.339505 0.116802 O\n0.140713 0.648970 0.122394 O\n0.351554 0.135950 0.121929 O\n0.663103 0.851144 0.115860 O\n0.855982 0.648811 0.384790 O\n0.140482 0.340226 0.377809 O\n0.344976 0.855752 0.379560 O\n0.658175 0.141490 0.383271 O\n0.144018 0.648811 0.884790 O\n0.859518 0.340226 0.877809 O\n0.655024 0.855752 0.879560 O\n0.341825 0.141490 0.883271 O\n",
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"formula_full": "Ba2 H32 O20",
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{
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"structure_string": "Ba4 H72 O40\n1.0\n10.908791 0.000000 0.000000\n0.000000 9.248124 0.000000\n0.000000 7.277870 13.135563\nBa H O\n4 72 40\ndirect\n0.722527 0.751819 0.722915 Ba\n0.777473 0.751819 0.222915 Ba\n0.277473 0.248181 0.277085 Ba\n0.222527 0.248181 0.777085 Ba\n0.030588 0.540694 0.079085 H\n0.469412 0.540694 0.579085 H\n0.969412 0.459306 0.920915 H\n0.530588 0.459306 0.420915 H\n0.139564 0.674397 0.918772 H\n0.360436 0.674397 0.418772 H\n0.860436 0.325603 0.081228 H\n0.639564 0.325603 0.581228 H\n0.627203 0.278260 0.932904 H\n0.872797 0.278260 0.432904 H\n0.372797 0.721740 0.067096 H\n0.127203 0.721740 0.567096 H\n0.513119 0.284904 0.090652 H\n0.986881 0.284904 0.590652 H\n0.486881 0.715096 0.909348 H\n0.013119 0.715096 0.409348 H\n0.915302 0.290383 0.947801 H\n0.584698 0.290383 0.447801 H\n0.084698 0.709617 0.052199 H\n0.415302 0.709617 0.552199 H\n0.524678 0.792330 0.882006 H\n0.975322 0.792330 0.382006 H\n0.475322 0.207670 0.117994 H\n0.024678 0.207670 0.617994 H\n0.429442 0.960927 0.896896 H\n0.070558 0.960927 0.396896 H\n0.570558 0.039073 0.103104 H\n0.929442 0.039073 0.603104 H\n0.268228 0.676498 0.870498 H\n0.231772 0.676498 0.370498 H\n0.731772 0.323502 0.129502 H\n0.768228 0.323502 0.629502 H\n0.631430 0.008605 0.870708 H\n0.868570 0.008605 0.370708 H\n0.368570 0.991395 0.129292 H\n0.131430 0.991395 0.629292 H\n0.763861 0.722920 0.963486 H\n0.736139 0.722920 0.463486 H\n0.236139 0.277080 0.036514 H\n0.263861 0.277080 0.536514 H\n0.071180 0.667991 0.586842 H\n0.428820 0.667991 0.086842 H\n0.928820 0.332009 0.413158 H\n0.571180 0.332009 0.913158 H\n0.705530 0.502737 0.621702 H\n0.794470 0.502737 0.121702 H\n0.294470 0.497263 0.378298 H\n0.205530 0.497263 0.878298 H\n0.498096 0.905590 0.374337 H\n0.001904 0.905590 0.874337 H\n0.501904 0.094410 0.625663 H\n0.998096 0.094410 0.125663 H\n0.291210 0.814810 0.609974 H\n0.208790 0.814810 0.109974 H\n0.708790 0.185190 0.390026 H\n0.791210 0.185190 0.890026 H\n0.315809 0.770525 0.663868 H\n0.184191 0.770525 0.163868 H\n0.684191 0.229475 0.336132 H\n0.815809 0.229475 0.836132 H\n0.885504 0.040278 0.406516 H\n0.614496 0.040278 0.906516 H\n0.114496 0.959722 0.593484 H\n0.385504 0.959722 0.093484 H\n0.593823 0.093730 0.700829 H\n0.906177 0.093730 0.200829 H\n0.406177 0.906270 0.299171 H\n0.093823 0.906270 0.799171 H\n0.301800 0.101100 0.622411 H\n0.198200 0.101100 0.122411 H\n0.698200 0.898900 0.377589 H\n0.801800 0.898900 0.877589 H\n0.178763 0.694880 0.853953 O\n0.321237 0.694880 0.353953 O\n0.821237 0.305120 0.146047 O\n0.678763 0.305120 0.646047 O\n0.115207 0.043406 0.407055 O\n0.384793 0.043406 0.907055 O\n0.884793 0.956594 0.592945 O\n0.615207 0.956594 0.092945 O\n0.460401 0.470611 0.732509 O\n0.039599 0.470611 0.232509 O\n0.539599 0.529389 0.267491 O\n0.960401 0.529389 0.767491 O\n0.268048 0.405115 0.903117 O\n0.231952 0.405115 0.403117 O\n0.731952 0.594885 0.096883 O\n0.768048 0.594885 0.596883 O\n0.370007 0.492875 0.915184 O\n0.129993 0.492875 0.415184 O\n0.629993 0.507125 0.084816 O\n0.870007 0.507125 0.584816 O\n0.790072 0.785629 0.890824 O\n0.709928 0.785629 0.390824 O\n0.209928 0.214371 0.109176 O\n0.290072 0.214371 0.609176 O\n0.452211 0.649051 0.520753 O\n0.047789 0.649051 0.020753 O\n0.547789 0.350949 0.479247 O\n0.952211 0.350949 0.979247 O\n0.487165 0.582588 0.757080 O\n0.012835 0.582588 0.257080 O\n0.512835 0.417412 0.242920 O\n0.987165 0.417412 0.742920 O\n0.536791 0.019170 0.692530 O\n0.963209 0.019170 0.192530 O\n0.463209 0.980830 0.307470 O\n0.036791 0.980830 0.807470 O\n0.757289 0.022018 0.577025 O\n0.742711 0.022018 0.077025 O\n0.242711 0.977982 0.422975 O\n0.257289 0.977982 0.922975 O\n",
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{
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{
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{
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