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{
"id": "mp-626263",
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"structure_string": "Ba2 H32 O20\n1.0\n6.543105 0.000000 0.000000\n0.000000 6.550553 0.000000\n0.000000 0.005069 11.385506\nBa H O\n2 32 20\ndirect\n0.996226 0.004202 0.251633 Ba\n0.003774 0.004202 0.751633 Ba\n0.959792 0.544940 0.370706 H\n0.722402 0.598195 0.353019 H\n0.280127 0.402071 0.352865 H\n0.146747 0.334297 0.464081 H\n0.403948 0.721045 0.352982 H\n0.333411 0.853009 0.463871 H\n0.543242 0.039586 0.369559 H\n0.598318 0.277684 0.352993 H\n0.277598 0.598195 0.853019 H\n0.040208 0.544940 0.870706 H\n0.719873 0.402071 0.852865 H\n0.853253 0.334297 0.964081 H\n0.596052 0.721045 0.852982 H\n0.666589 0.853009 0.963871 H\n0.401682 0.277684 0.852993 H\n0.456758 0.039586 0.869559 H\n0.042673 0.456906 0.630547 H\n0.278731 0.401173 0.647673 H\n0.735708 0.602992 0.659666 H\n0.848226 0.663967 0.541346 H\n0.597943 0.279833 0.648234 H\n0.665859 0.147349 0.536100 H\n0.456856 0.960161 0.630439 H\n0.402684 0.722599 0.647636 H\n0.957327 0.456906 0.130547 H\n0.721269 0.401173 0.147673 H\n0.264292 0.602992 0.159666 H\n0.151774 0.663967 0.041346 H\n0.402057 0.279833 0.148234 H\n0.334141 0.147349 0.036100 H\n0.543144 0.960161 0.130439 H\n0.597316 0.722599 0.147636 H\n0.501045 0.498641 0.317621 O\n0.498955 0.498641 0.817621 O\n0.504073 0.501425 0.686151 O\n0.495927 0.501425 0.186151 O\n0.858198 0.656933 0.381639 O\n0.140143 0.345569 0.376671 O\n0.345183 0.859822 0.376421 O\n0.656894 0.140106 0.379362 O\n0.141802 0.656933 0.881639 O\n0.859857 0.345569 0.876671 O\n0.654817 0.859822 0.876421 O\n0.343106 0.140106 0.879362 O\n0.142259 0.342624 0.620480 O\n0.869893 0.657573 0.628474 O\n0.655037 0.140750 0.623546 O\n0.343625 0.859277 0.620618 O\n0.857741 0.342624 0.120480 O\n0.130107 0.657573 0.128474 O\n0.344963 0.140750 0.123546 O\n0.656375 0.859277 0.120618 O\n",
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},
{
"id": "mp-1182545",
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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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{
"id": "mp-699501",
"created_at": "2022-09-04T14:47:45.829182Z",
"structure_string": "Ba20 H40 O40\n1.0\n11.120170 0.000000 0.000000\n0.000000 7.220721 0.000000\n0.000000 6.927214 16.747259\nBa H O\n20 40 40\ndirect\n0.822469 0.186956 0.747020 Ba\n0.677531 0.186956 0.247020 Ba\n0.177531 0.813044 0.252980 Ba\n0.322469 0.813044 0.752980 Ba\n0.976359 0.535253 0.876088 Ba\n0.523641 0.535253 0.376088 Ba\n0.023641 0.464747 0.123912 Ba\n0.476359 0.464747 0.623912 Ba\n0.520462 0.794367 0.124938 Ba\n0.979538 0.794367 0.624938 Ba\n0.479538 0.205633 0.875062 Ba\n0.020462 0.205633 0.375062 Ba\n0.830072 0.941526 0.988525 Ba\n0.669928 0.941526 0.488525 Ba\n0.169928 0.058474 0.011475 Ba\n0.330072 0.058474 0.511475 Ba\n0.669261 0.423298 0.008429 Ba\n0.830739 0.423298 0.508429 Ba\n0.330739 0.576702 0.991571 Ba\n0.169261 0.576702 0.491571 Ba\n0.561023 0.030419 0.727298 H\n0.938977 0.030419 0.227298 H\n0.438977 0.969581 0.272702 H\n0.061023 0.969581 0.772702 H\n0.787723 0.683126 0.753969 H\n0.712277 0.683126 0.253969 H\n0.212277 0.316874 0.246031 H\n0.287723 0.316874 0.746031 H\n0.079531 0.210874 0.830985 H\n0.420469 0.210874 0.330985 H\n0.920469 0.789126 0.169015 H\n0.579531 0.789126 0.669015 H\n0.431026 0.347640 0.165804 H\n0.068974 0.347640 0.665804 H\n0.568974 0.652360 0.834196 H\n0.931026 0.652360 0.334196 H\n0.706855 0.821201 0.859552 H\n0.793145 0.821201 0.359552 H\n0.293145 0.178799 0.140448 H\n0.206855 0.178799 0.640448 H\n0.790557 0.015644 0.137878 H\n0.709443 0.015644 0.637878 H\n0.209443 0.984356 0.862122 H\n0.290557 0.984356 0.362122 H\n0.740402 0.390919 0.844970 H\n0.759598 0.390919 0.344970 H\n0.259598 0.609081 0.155030 H\n0.240402 0.609081 0.655030 H\n0.757267 0.585212 0.152640 H\n0.742733 0.585212 0.652640 H\n0.242733 0.414788 0.847360 H\n0.257267 0.414788 0.347360 H\n0.547404 0.791130 0.926102 H\n0.952596 0.791130 0.426102 H\n0.452596 0.208870 0.073898 H\n0.047404 0.208870 0.573898 H\n0.947291 0.150469 0.072589 H\n0.552709 0.150469 0.572589 H\n0.052709 0.849531 0.927411 H\n0.447291 0.849531 0.427411 H\n0.575973 0.131227 0.749442 O\n0.924027 0.131227 0.249442 O\n0.424027 0.868773 0.250558 O\n0.075973 0.868773 0.750558 O\n0.822144 0.563397 0.749888 O\n0.677856 0.563397 0.249888 O\n0.177856 0.436603 0.250112 O\n0.322144 0.436603 0.750112 O\n0.008599 0.145019 0.861232 O\n0.491401 0.145019 0.361232 O\n0.991401 0.854981 0.138768 O\n0.508599 0.854981 0.638768 O\n0.501786 0.396445 0.132332 O\n0.998214 0.396445 0.632332 O\n0.498214 0.603555 0.867668 O\n0.001786 0.603555 0.367668 O\n0.790755 0.785485 0.873239 O\n0.709245 0.785485 0.373239 O\n0.209245 0.214515 0.126761 O\n0.290755 0.214515 0.626761 O\n0.707758 0.044559 0.119300 O\n0.792242 0.044559 0.619300 O\n0.292242 0.955441 0.880700 O\n0.207758 0.955441 0.380700 O\n0.721671 0.268700 0.892123 O\n0.778329 0.268700 0.392123 O\n0.278329 0.731300 0.107877 O\n0.221671 0.731300 0.607877 O\n0.783943 0.560597 0.105236 O\n0.716057 0.560597 0.605236 O\n0.216057 0.439403 0.894764 O\n0.283943 0.439403 0.394764 O\n0.558576 0.814767 0.975610 O\n0.941424 0.814767 0.475610 O\n0.441424 0.185233 0.024390 O\n0.058576 0.185233 0.524390 O\n0.947223 0.270518 0.022890 O\n0.552777 0.270518 0.522890 O\n0.052777 0.729482 0.977110 O\n0.447223 0.729482 0.477110 O\n",
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{
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"structure_string": "Ba8 H16 O16\n1.0\n7.191806 0.000000 0.000000\n-0.344523 7.916232 0.000000\n-0.987464 -0.185067 9.249084\nBa H O\n8 16 16\ndirect\n0.240502 0.863052 0.906563 Ba\n0.720975 0.632973 0.398414 Ba\n0.773592 0.102121 0.098285 Ba\n0.255101 0.373283 0.621650 Ba\n0.307485 0.978992 0.334722 Ba\n0.795188 0.545364 0.832310 Ba\n0.728221 0.041851 0.680665 Ba\n0.184373 0.469334 0.184460 Ba\n0.194091 0.969764 0.621861 H\n0.665915 0.491863 0.115496 H\n0.821750 0.033387 0.387495 H\n0.130210 0.397078 0.892275 H\n0.427868 0.227890 0.166146 H\n0.703027 0.354509 0.561883 H\n0.570202 0.786873 0.817146 H\n0.071259 0.725917 0.334507 H\n0.149857 0.178850 0.968366 H\n0.575830 0.261254 0.381981 H\n0.916854 0.743826 0.122219 H\n0.408363 0.730515 0.600492 H\n0.948151 0.259188 0.404303 H\n0.480244 0.255873 0.895653 H\n0.037665 0.753006 0.591448 H\n0.534361 0.737336 0.095312 H\n0.317833 0.028844 0.625714 O\n0.799920 0.472332 0.129161 O\n0.692588 0.985197 0.384872 O\n0.169057 0.518577 0.887123 O\n0.382938 0.150743 0.084773 O\n0.839784 0.363460 0.580675 O\n0.624206 0.844810 0.908683 O\n0.117554 0.661165 0.419822 O\n0.029132 0.176899 0.906546 O\n0.467363 0.332043 0.374349 O\n0.022724 0.824946 0.144014 O\n0.514327 0.665322 0.637666 O\n0.027862 0.201052 0.341424 O\n0.562250 0.283069 0.820777 O\n0.978698 0.801533 0.673024 O\n0.457476 0.707852 0.173098 O\n",
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{
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"created_at": "2022-09-04T14:46:29.384882Z",
"structure_string": "Ba2 H8 O12\n1.0\n4.883124 4.291297 0.000000\n-4.883124 4.291297 0.000000\n0.000000 0.614139 6.430947\nBa H O\n2 8 12\ndirect\n0.169452 0.830548 0.500000 Ba\n0.833936 0.166064 0.000000 Ba\n0.622658 0.615008 0.778836 H\n0.822351 0.663063 0.890241 H\n0.384992 0.377342 0.221164 H\n0.336937 0.177649 0.109759 H\n0.014283 0.411249 0.423293 H\n0.588751 0.985717 0.576707 H\n0.077358 0.638729 0.046556 H\n0.361271 0.922642 0.953444 H\n0.053147 0.812768 0.934995 O\n0.187232 0.946853 0.065005 O\n0.125660 0.206342 0.668765 O\n0.793658 0.874340 0.331235 O\n0.754532 0.560680 0.800636 O\n0.439320 0.245468 0.199364 O\n0.155272 0.410350 0.607704 O\n0.589650 0.844728 0.392296 O\n0.934699 0.447042 0.296645 O\n0.552958 0.065301 0.703355 O\n0.114134 0.497094 0.140610 O\n0.502906 0.885866 0.859390 O\n",
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{
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"structure_string": "Ba2 H8 O6\n1.0\n4.176213 0.000000 0.000000\n0.076872 6.439045 0.000000\n0.076499 2.389463 6.798832\nBa H O\n2 8 6\ndirect\n0.748847 0.134892 0.717987 Ba\n0.251153 0.865108 0.282013 Ba\n0.248164 0.350703 0.937435 H\n0.751836 0.649297 0.062565 H\n0.249907 0.767493 0.832258 H\n0.750093 0.232507 0.167742 H\n0.440626 0.315083 0.338798 H\n0.056337 0.319421 0.338208 H\n0.949321 0.659714 0.658901 H\n0.559374 0.684917 0.661202 H\n0.248051 0.389256 0.378609 O\n0.756223 0.598186 0.613853 O\n0.242579 0.200376 0.936128 O\n0.757421 0.799624 0.063872 O\n0.266992 0.818879 0.688848 O\n0.750587 0.171102 0.306521 O\n",
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{
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