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{
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{
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{
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"structure_string": "Ba12 Fe12 O33\n1.0\n5.768628 0.000000 0.000000\n-2.877252 5.030964 0.000000\n-0.026666 -0.126997 28.439313\nBa Fe O\n12 12 33\ndirect\n0.334134 0.667922 0.797860 Ba\n0.336115 0.666914 0.288922 Ba\n0.333426 0.666987 0.950763 Ba\n0.985235 0.992882 0.373899 Ba\n0.999663 0.996911 0.127791 Ba\n0.995460 0.986770 0.626357 Ba\n0.339357 0.671327 0.458667 Ba\n0.000228 0.000441 0.873609 Ba\n0.672526 0.344270 0.045676 Ba\n0.671533 0.338835 0.541099 Ba\n0.666472 0.329801 0.203470 Ba\n0.670443 0.338905 0.711804 Ba\n0.361239 0.720518 0.080744 Fe\n0.318825 0.638137 0.574536 Fe\n0.330472 0.662987 0.172540 Fe\n0.981354 0.962156 0.994986 Fe\n0.995777 0.996279 0.249085 Fe\n0.994362 0.993339 0.500192 Fe\n0.321341 0.640789 0.676648 Fe\n0.999775 0.998331 0.751327 Fe\n0.639991 0.319654 0.323422 Fe\n0.666954 0.333607 0.828991 Fe\n0.660502 0.321049 0.922974 Fe\n0.637751 0.317805 0.425326 Fe\n0.158879 0.314687 0.710455 O\n0.162281 0.327591 0.207573 O\n0.154804 0.315950 0.540669 O\n0.480506 0.523094 0.117727 O\n0.500477 0.557263 0.625669 O\n0.661525 0.835798 0.540972 O\n0.668788 0.838957 0.040108 O\n0.661348 0.839900 0.706366 O\n0.665924 0.825199 0.210872 O\n0.056203 0.550648 0.626481 O\n0.043962 0.521628 0.116836 O\n0.499725 0.996864 0.127431 O\n0.180590 0.841012 0.706306 O\n0.155861 0.822405 0.208893 O\n0.171997 0.840145 0.040027 O\n0.176723 0.839475 0.543873 O\n0.827044 0.167743 0.791643 O\n0.839626 0.175402 0.292650 O\n0.838889 0.177417 0.456367 O\n0.849986 0.176881 0.964516 O\n0.550579 0.055468 0.374041 O\n0.511791 0.023222 0.880833 O\n0.315160 0.158175 0.289690 O\n0.340972 0.167646 0.791738 O\n0.315603 0.153319 0.459524 O\n0.326566 0.177284 0.964596 O\n0.963744 0.476858 0.873441 O\n0.554000 0.498051 0.375376 O\n0.513364 0.477339 0.873466 O\n0.839698 0.661178 0.294284 O\n0.835534 0.659829 0.458948 O\n0.839349 0.678208 0.788270 O\n0.825929 0.651341 0.957991 O\n",
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{
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"structure_string": "V6 O10 F2\n1.0\n2.970489 0.000000 0.000000\n0.000000 4.668182 0.000000\n0.000000 0.616265 13.968267\nV O F\n6 10 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.020965 0.342520 V\n0.000000 0.979035 0.657480 V\n0.500000 0.473406 0.159057 V\n0.500000 0.500000 0.500000 V\n0.500000 0.526594 0.840943 V\n0.500000 0.798598 0.599927 O\n0.500000 0.802454 0.934510 O\n0.000000 0.696044 0.102084 O\n0.000000 0.707889 0.764833 O\n0.000000 0.708093 0.430427 O\n0.000000 0.292111 0.235167 O\n0.000000 0.291907 0.569573 O\n0.000000 0.303956 0.897916 O\n0.500000 0.197546 0.065490 O\n0.500000 0.201402 0.400073 O\n0.500000 0.806754 0.268487 F\n0.500000 0.193246 0.731513 F\n",
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{
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"structure_string": "Co2 P12 N8 O44\n1.0\n12.918721 0.000000 0.000000\n0.000000 9.061037 0.000000\n0.000000 0.654004 9.051032\nCo P N O\n2 12 8 44\ndirect\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.833826 0.187514 0.139889 P\n0.333826 0.312486 0.860111 P\n0.166174 0.812486 0.860111 P\n0.666174 0.687514 0.139889 P\n0.838379 0.234559 0.457752 P\n0.338379 0.265441 0.542248 P\n0.161621 0.765441 0.542248 P\n0.661621 0.734559 0.457752 P\n0.947282 0.448181 0.249644 P\n0.447282 0.051819 0.750356 P\n0.052718 0.551819 0.750356 P\n0.552718 0.948181 0.249644 P\n0.644503 0.320757 0.490437 N\n0.144503 0.179243 0.509563 N\n0.355497 0.679243 0.509563 N\n0.855497 0.820757 0.490437 N\n0.649127 0.033460 0.782329 N\n0.149127 0.466540 0.217671 N\n0.350873 0.966540 0.217671 N\n0.850873 0.533460 0.782329 N\n0.785455 0.192581 0.309877 O\n0.285455 0.307419 0.690123 O\n0.214545 0.807419 0.690123 O\n0.714545 0.692581 0.309877 O\n0.900411 0.347591 0.133849 O\n0.400411 0.152409 0.866151 O\n0.099589 0.652409 0.866151 O\n0.599589 0.847591 0.133849 O\n0.750804 0.200386 0.030672 O\n0.250804 0.299614 0.969328 O\n0.249196 0.799614 0.969328 O\n0.749196 0.700386 0.030672 O\n0.911670 0.061337 0.161310 O\n0.411670 0.438663 0.838690 O\n0.088330 0.938663 0.838690 O\n0.588330 0.561337 0.161310 O\n0.905706 0.382014 0.408450 O\n0.405706 0.117986 0.591550 O\n0.094294 0.617986 0.591550 O\n0.594294 0.882014 0.408450 O\n0.738430 0.311032 0.544502 O\n0.238430 0.188968 0.455498 O\n0.261570 0.688968 0.455498 O\n0.761570 0.811032 0.544502 O\n0.890392 0.125469 0.556289 O\n0.390392 0.374531 0.443711 O\n0.109608 0.874531 0.443711 O\n0.609608 0.625469 0.556289 O\n0.573660 0.117806 0.739265 O\n0.073660 0.382194 0.260735 O\n0.426340 0.882194 0.260735 O\n0.926340 0.617806 0.739265 O\n0.555573 0.107838 0.223259 O\n0.055573 0.392162 0.776741 O\n0.444427 0.892162 0.776741 O\n0.944427 0.607838 0.223259 O\n0.936191 0.126075 0.874546 O\n0.436191 0.373925 0.125454 O\n0.063809 0.873925 0.125454 O\n0.563810 0.626075 0.874546 O\n0.599911 0.397390 0.924487 O\n0.099911 0.102610 0.075513 O\n0.400089 0.602610 0.075513 O\n0.900089 0.897390 0.924487 O\n",
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{
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{
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"structure_string": "Sm2 Mn3 Cu9 P7\n1.0\n3.752092 0.000000 0.000000\n0.000000 9.314470 0.000000\n0.000000 4.564814 8.190495\nSm Mn Cu P\n2 3 9 7\ndirect\n0.000000 0.664810 0.666487 Sm\n0.500000 0.335884 0.328981 Sm\n0.500000 0.786213 0.129305 Mn\n0.500000 0.121530 0.086456 Mn\n0.500000 0.086547 0.791829 Mn\n0.000000 0.570534 0.379949 Cu\n0.000000 0.381925 0.047965 Cu\n0.000000 0.048954 0.568276 Cu\n0.000000 0.840763 0.882706 Cu\n0.000000 0.879249 0.281929 Cu\n0.000000 0.274868 0.841543 Cu\n0.500000 0.614850 0.958406 Cu\n0.500000 0.959482 0.426371 Cu\n0.500000 0.429389 0.613487 Cu\n0.000000 0.600115 0.123968 P\n0.000000 0.127202 0.274313 P\n0.000000 0.287121 0.588489 P\n0.500000 0.880991 0.708335 P\n0.500000 0.710636 0.404019 P\n0.500000 0.401958 0.886923 P\n0.000000 0.996977 0.010263 P\n",
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{
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]
}