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{
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{
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{
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"structure_string": "V8 Cu16 H8 O40\n1.0\n6.117549 0.000000 0.000000\n0.000000 8.591785 0.000000\n0.000000 0.000000 15.165821\nV Cu H O\n8 16 8 40\ndirect\n0.250000 0.813432 0.079369 V\n0.750000 0.471973 0.154046 V\n0.250000 0.971973 0.345954 V\n0.750000 0.313432 0.420631 V\n0.250000 0.686568 0.579369 V\n0.750000 0.028027 0.654046 V\n0.250000 0.528027 0.845954 V\n0.750000 0.186568 0.920631 V\n0.250000 0.414622 0.073212 Cu\n0.505264 0.130150 0.137797 Cu\n0.994736 0.130150 0.137797 Cu\n0.750000 0.849625 0.215394 Cu\n0.250000 0.349625 0.284606 Cu\n0.005264 0.630150 0.362203 Cu\n0.494736 0.630150 0.362203 Cu\n0.750000 0.914622 0.426788 Cu\n0.250000 0.085378 0.573212 Cu\n0.505264 0.369850 0.637797 Cu\n0.994736 0.369850 0.637797 Cu\n0.750000 0.650375 0.715394 Cu\n0.250000 0.150375 0.784606 Cu\n0.005264 0.869850 0.862203 Cu\n0.494736 0.869850 0.862203 Cu\n0.750000 0.585378 0.926788 Cu\n0.250000 0.144856 0.002096 H\n0.250000 0.613379 0.221172 H\n0.750000 0.113379 0.278828 H\n0.750000 0.644856 0.497904 H\n0.250000 0.355144 0.502096 H\n0.250000 0.886621 0.721172 H\n0.750000 0.386621 0.778828 H\n0.750000 0.855144 0.997904 H\n0.750000 0.172723 0.032521 O\n0.750000 0.545124 0.050783 O\n0.250000 0.184551 0.063101 O\n0.250000 0.620631 0.115357 O\n0.010130 0.903508 0.121193 O\n0.489870 0.903508 0.121193 O\n0.506919 0.355188 0.171772 O\n0.993081 0.355188 0.171772 O\n0.750000 0.077309 0.215061 O\n0.750000 0.628864 0.227911 O\n0.250000 0.128864 0.272089 O\n0.250000 0.577309 0.284939 O\n0.006919 0.855188 0.328228 O\n0.493081 0.855188 0.328228 O\n0.510130 0.403508 0.378807 O\n0.989870 0.403508 0.378807 O\n0.750000 0.120631 0.384643 O\n0.750000 0.684551 0.436899 O\n0.250000 0.045124 0.449217 O\n0.250000 0.672723 0.467479 O\n0.750000 0.327277 0.532521 O\n0.750000 0.954876 0.550783 O\n0.250000 0.315449 0.563101 O\n0.250000 0.879369 0.615357 O\n0.010130 0.596492 0.621193 O\n0.489870 0.596492 0.621193 O\n0.506919 0.144812 0.671772 O\n0.993081 0.144812 0.671772 O\n0.750000 0.422691 0.715061 O\n0.750000 0.871136 0.727911 O\n0.250000 0.371136 0.772089 O\n0.250000 0.922691 0.784939 O\n0.006919 0.644812 0.828228 O\n0.493081 0.644812 0.828228 O\n0.510130 0.096492 0.878807 O\n0.989870 0.096492 0.878807 O\n0.750000 0.379369 0.884643 O\n0.750000 0.815449 0.936899 O\n0.250000 0.454876 0.949217 O\n0.250000 0.827277 0.967479 O\n",
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{
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{
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{
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{
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"structure_string": "Ba2 Na4 Al8 Si8 O32\n1.0\n-4.343686 5.039942 8.475320\n4.343686 -5.039942 8.475320\n4.343686 5.039942 -8.475320\nBa Na Al Si O\n2 4 8 8 32\ndirect\n0.153912 0.653912 0.500000 Ba\n0.653912 0.153912 0.500000 Ba\n0.231749 0.864373 0.286615 Na\n0.077758 0.364373 0.632624 Na\n0.577758 0.945134 0.713385 Na\n0.731749 0.445134 0.367376 Na\n0.249063 0.133690 0.256760 Al\n0.876930 0.992303 0.743240 Al\n0.754277 0.032120 0.164581 Al\n0.749063 0.492303 0.115373 Al\n0.367539 0.532120 0.277843 Al\n0.254277 0.089696 0.722157 Al\n0.867539 0.589696 0.835419 Al\n0.376930 0.633690 0.884627 Al\n0.939356 0.822724 0.270091 Si\n0.558281 0.730700 0.294463 Si\n0.436237 0.263818 0.705537 Si\n0.058281 0.763818 0.827581 Si\n0.936237 0.230700 0.172419 Si\n0.052633 0.322724 0.883368 Si\n0.439356 0.169265 0.116632 Si\n0.552633 0.669265 0.729909 Si\n0.879974 0.407901 0.224038 O\n0.183863 0.655936 0.775962 O\n0.379974 0.155936 0.472073 O\n0.683863 0.907901 0.527927 O\n0.116583 0.900360 0.473036 O\n0.427324 0.643547 0.526964 O\n0.616583 0.143547 0.216223 O\n0.927324 0.400360 0.783777 O\n0.461093 0.363514 0.201588 O\n0.161926 0.259505 0.798412 O\n0.961093 0.759505 0.097579 O\n0.661926 0.863514 0.902421 O\n0.485669 0.776883 0.152352 O\n0.624531 0.333317 0.847648 O\n0.985669 0.833317 0.708786 O\n0.124531 0.276883 0.291214 O\n0.836486 0.969483 0.305731 O\n0.663752 0.530755 0.694269 O\n0.336486 0.030755 0.867003 O\n0.163752 0.469483 0.132997 O\n0.347820 0.419393 0.777405 O\n0.641988 0.570415 0.222595 O\n0.891456 0.193097 0.269573 O\n0.923524 0.621883 0.730427 O\n0.391456 0.121883 0.698359 O\n0.423524 0.693097 0.301641 O\n0.366660 0.154604 0.205377 O\n0.949227 0.161283 0.794623 O\n0.866660 0.661283 0.212056 O\n0.449227 0.654604 0.787944 O\n0.141988 0.919393 0.071573 O\n0.847820 0.070415 0.928427 O\n",
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{
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{
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"structure_string": "Na4 C8 O8\n1.0\n6.905816 0.000000 0.000000\n0.000000 3.562141 0.000000\n0.000000 0.391786 10.463692\nNa C O\n4 8 8\ndirect\n0.558451 0.293960 0.849328 Na\n0.441549 0.706040 0.150672 Na\n0.941549 0.293960 0.349328 Na\n0.058451 0.706040 0.650672 Na\n0.859377 0.892755 0.999438 C\n0.483223 0.902165 0.594544 C\n0.140623 0.107245 0.000562 C\n0.359377 0.107245 0.500562 C\n0.983223 0.097835 0.905456 C\n0.516777 0.097835 0.405456 C\n0.640623 0.892755 0.499438 C\n0.016777 0.902165 0.094544 C\n0.955267 0.212632 0.791062 O\n0.044733 0.787368 0.208938 O\n0.311974 0.230783 0.005824 O\n0.544733 0.212632 0.291062 O\n0.455267 0.787368 0.708938 O\n0.811974 0.769217 0.494176 O\n0.188026 0.230783 0.505824 O\n0.688026 0.769217 0.994176 O\n",
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"formula_full": "Na4 C8 O8",
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}