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{
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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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"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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"structure_string": "Ba20 H40 O40\n1.0\n7.301995 0.000000 0.000000\n0.000000 11.382696 0.000000\n0.000000 0.000000 16.716239\nBa H O\n20 40 40\ndirect\n0.041591 0.813278 0.250000 Ba\n0.458409 0.313278 0.250000 Ba\n0.958409 0.186722 0.750000 Ba\n0.541591 0.686722 0.750000 Ba\n0.581994 0.977873 0.375458 Ba\n0.918006 0.477873 0.124542 Ba\n0.418006 0.022127 0.875458 Ba\n0.081994 0.522127 0.624542 Ba\n0.418006 0.022127 0.624542 Ba\n0.081994 0.522127 0.875458 Ba\n0.581994 0.977873 0.124542 Ba\n0.918006 0.477873 0.375458 Ba\n0.073980 0.834436 0.487727 Ba\n0.426020 0.334436 0.012273 Ba\n0.926020 0.165564 0.987727 Ba\n0.573980 0.665564 0.512273 Ba\n0.926020 0.165564 0.512273 Ba\n0.573980 0.665564 0.987727 Ba\n0.073980 0.834436 0.012273 Ba\n0.426020 0.334436 0.487727 Ba\n0.249518 0.561057 0.250000 H\n0.250482 0.061057 0.250000 H\n0.750482 0.438943 0.750000 H\n0.749518 0.938943 0.750000 H\n0.594598 0.751122 0.250000 H\n0.905402 0.251122 0.250000 H\n0.405402 0.248878 0.750000 H\n0.094598 0.748878 0.750000 H\n0.039497 0.048226 0.338832 H\n0.460503 0.548226 0.161168 H\n0.960503 0.951774 0.838832 H\n0.539497 0.451774 0.661168 H\n0.960503 0.951774 0.661168 H\n0.539497 0.451774 0.838832 H\n0.039497 0.048226 0.161168 H\n0.460503 0.548226 0.338832 H\n0.372581 0.723072 0.349363 H\n0.127419 0.223072 0.150637 H\n0.627419 0.276928 0.849363 H\n0.872581 0.776928 0.650637 H\n0.627419 0.276928 0.650637 H\n0.872581 0.776928 0.849363 H\n0.372581 0.723072 0.150637 H\n0.127419 0.223072 0.349363 H\n0.759646 0.740949 0.354213 H\n0.740354 0.240949 0.145787 H\n0.240354 0.259051 0.854213 H\n0.259646 0.759051 0.645787 H\n0.240354 0.259051 0.645787 H\n0.259646 0.759051 0.854213 H\n0.759646 0.740949 0.145787 H\n0.740354 0.240949 0.354213 H\n0.250054 0.585115 0.428432 H\n0.249946 0.085115 0.071568 H\n0.749946 0.414885 0.928432 H\n0.750054 0.914885 0.571568 H\n0.749946 0.414885 0.571568 H\n0.750054 0.914885 0.928432 H\n0.250054 0.585115 0.071568 H\n0.249946 0.085115 0.428432 H\n0.119600 0.578870 0.250000 O\n0.380400 0.078870 0.250000 O\n0.880400 0.421130 0.750000 O\n0.619600 0.921130 0.750000 O\n0.681061 0.816106 0.250000 O\n0.818939 0.316106 0.250000 O\n0.318939 0.183894 0.750000 O\n0.181061 0.683894 0.750000 O\n0.966986 0.987897 0.364488 O\n0.533014 0.487897 0.135512 O\n0.033014 0.012103 0.864488 O\n0.466986 0.512103 0.635512 O\n0.033014 0.012103 0.635512 O\n0.466986 0.512103 0.864488 O\n0.966986 0.987897 0.135512 O\n0.533014 0.487897 0.364488 O\n0.339094 0.789260 0.382975 O\n0.160906 0.289260 0.117025 O\n0.660906 0.210740 0.882975 O\n0.839094 0.710740 0.617025 O\n0.660906 0.210740 0.617025 O\n0.839094 0.710740 0.882975 O\n0.339094 0.789260 0.117025 O\n0.160906 0.289260 0.382975 O\n0.841503 0.713948 0.397243 O\n0.658497 0.213948 0.102757 O\n0.158497 0.286052 0.897243 O\n0.341503 0.786052 0.602757 O\n0.158497 0.286052 0.602757 O\n0.341503 0.786052 0.897243 O\n0.841503 0.713948 0.102757 O\n0.658497 0.213948 0.397243 O\n0.202473 0.556256 0.479173 O\n0.297527 0.056256 0.020827 O\n0.797527 0.443744 0.979173 O\n0.702473 0.943744 0.520827 O\n0.797527 0.443744 0.520827 O\n0.702473 0.943744 0.979173 O\n0.202473 0.556256 0.020827 O\n0.297527 0.056256 0.479173 O\n",
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{
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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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