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{
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{
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{
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{
"id": "mp-1195112",
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"structure_string": "Ba22 B52 P4 H12 O116\n1.0\n6.991597 0.000000 0.000500\n0.000000 13.818181 0.000000\n0.020179 0.000000 25.994469\nBa B P H O\n22 52 4 12 116\ndirect\n0.157175 0.324324 0.803654 Ba\n0.842825 0.824324 0.696346 Ba\n0.842825 0.675676 0.196346 Ba\n0.157175 0.175676 0.303654 Ba\n0.863873 0.326894 0.652742 Ba\n0.136127 0.826894 0.847258 Ba\n0.136127 0.673106 0.347258 Ba\n0.863873 0.173106 0.152742 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 -0.000000 0.000000 Ba\n0.810421 0.521977 0.915558 Ba\n0.189579 0.021977 0.584442 Ba\n0.189579 0.478023 0.084442 Ba\n0.810421 0.978023 0.415558 Ba\n0.480180 0.562458 0.725696 Ba\n0.519820 0.062458 0.774304 Ba\n0.519820 0.437542 0.274304 Ba\n0.480180 0.937542 0.225696 Ba\n0.674486 0.214600 0.908701 Ba\n0.325514 0.714600 0.591299 Ba\n0.325514 0.785400 0.091299 Ba\n0.674486 0.285400 0.408701 Ba\n0.013141 0.575529 0.739760 B\n0.986859 0.075529 0.760240 B\n0.986859 0.424471 0.260240 B\n0.013141 0.924471 0.239760 B\n0.809829 0.658920 0.805873 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{
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"structure_string": "Ca4 C4 O12\n1.0\n5.016055 0.000000 0.000000\n0.000000 5.812071 0.000000\n0.000000 0.000000 8.034798\nCa C O\n4 4 12\ndirect\n0.250000 0.259356 0.414939 Ca\n0.750000 0.740644 0.585061 Ca\n0.250000 0.759356 0.085061 Ca\n0.750000 0.240644 0.914939 Ca\n0.250000 0.416471 0.762208 C\n0.750000 0.583529 0.237792 C\n0.250000 0.916471 0.737792 C\n0.750000 0.083529 0.262208 C\n0.026087 0.913815 0.819568 O\n0.526087 0.086185 0.180432 O\n0.473913 0.413815 0.680432 O\n0.973913 0.586185 0.319568 O\n0.750000 0.092744 0.422822 O\n0.250000 0.907256 0.577178 O\n0.750000 0.592744 0.077178 O\n0.250000 0.407256 0.922822 O\n0.973913 0.086185 0.180432 O\n0.473913 0.913815 0.819568 O\n0.526087 0.586185 0.319568 O\n0.026087 0.413815 0.680432 O\n",
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{
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"structure_string": "Cd9 I18\n1.0\n2.166430 -3.752367 0.000000\n2.166430 3.752367 0.000000\n0.000000 0.000000 66.716594\nCd I\n9 18\ndirect\n0.000000 0.000000 0.583314 Cd\n0.000000 0.000000 0.361092 Cd\n0.333333 0.666667 0.472234 Cd\n0.333333 0.666667 0.916644 Cd\n0.000000 0.000000 0.027790 Cd\n0.333333 0.666667 0.138896 Cd\n0.000000 0.000000 0.694457 Cd\n0.333333 0.666667 0.805559 Cd\n0.000000 0.000000 0.250007 Cd\n0.333333 0.666667 0.557449 I\n0.666667 0.333333 0.720337 I\n0.333333 0.666667 0.224151 I\n0.666667 0.333333 0.275884 I\n0.333333 0.666667 0.668587 I\n0.666667 0.333333 0.053663 I\n0.666667 0.333333 0.609187 I\n0.000000 0.000000 0.890786 I\n0.666667 0.333333 0.942503 I\n0.000000 0.000000 0.113042 I\n0.333333 0.666667 0.001936 I\n0.000000 0.000000 0.446353 I\n0.666667 0.333333 0.164745 I\n0.000000 0.000000 0.779668 I\n0.666667 0.333333 0.386957 I\n0.333333 0.666667 0.335206 I\n0.666667 0.333333 0.831442 I\n0.666667 0.333333 0.498111 I\n",
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{
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}