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{
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{
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"structure_string": "Nb2 Se4 Br4\n1.0\n6.233294 0.000503 2.500822\n2.587680 5.731136 2.561664\n0.033479 0.011220 7.430995\nNb Se Br\n2 4 4\ndirect\n0.875270 0.251966 0.999500 Nb\n0.124730 0.748034 0.000498 Nb\n0.741148 0.039071 0.863814 Se\n0.258852 0.960929 0.136184 Se\n0.081364 0.092074 0.669820 Se\n0.918636 0.907926 0.330179 Se\n0.582707 0.649534 0.769239 Br\n0.417293 0.350466 0.230760 Br\n0.828399 0.521721 0.229963 Br\n0.171600 0.478279 0.770036 Br\n",
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{
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{
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"structure_string": "Mg1 Fe10 O16\n1.0\n0.000000 4.044082 4.044082\n4.044082 0.000000 4.044082\n8.094157 8.094157 -0.005993\nMg Fe O\n1 10 16\ndirect\n0.123131 0.123131 0.065303 Mg\n0.875513 0.875513 0.936729 Fe\n0.502851 0.008500 0.742899 Fe\n0.008500 0.502851 0.742899 Fe\n0.879485 0.879485 0.430771 Fe\n0.502851 0.502851 0.742899 Fe\n0.117941 0.117941 0.573089 Fe\n0.995753 0.494923 0.257199 Fe\n0.494923 0.494923 0.257199 Fe\n0.500258 0.500258 -0.000386 Fe\n0.494923 0.995753 0.257199 Fe\n0.242489 0.242489 0.640827 O\n0.738643 0.285420 0.868647 O\n0.741251 0.741251 0.638124 O\n0.242489 0.733366 0.640827 O\n0.263744 0.263744 0.854383 O\n0.733366 0.242489 0.640827 O\n0.758030 0.758030 0.354278 O\n0.252951 0.252951 0.370575 O\n0.738542 0.738542 0.142187 O\n0.758030 0.275382 0.354278 O\n0.264893 0.705094 0.132559 O\n0.738643 0.738643 0.868647 O\n0.705094 0.264893 0.132559 O\n0.264893 0.264893 0.132559 O\n0.275382 0.758030 0.354278 O\n0.285420 0.738643 0.868647 O\n",
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"created_at": "2022-09-04T14:37:51.782171Z",
"updated_at": "2022-09-04T14:37:51.782192Z",
"structure_string": "Ba4 Na4 O6\n1.0\n0.000000 5.758842 -0.032581\n5.614648 0.000000 0.000000\n0.000000 -2.323149 -8.177828\nBa Na O\n4 4 6\ndirect\n0.692759 0.469923 0.333294 Ba\n0.807241 0.969923 0.666706 Ba\n0.192759 0.030077 0.333294 Ba\n0.307241 0.530077 0.666706 Ba\n0.184004 0.639358 0.072340 Na\n0.684004 0.860643 0.072340 Na\n0.315995 0.139358 0.927660 Na\n0.815995 0.360643 0.927660 Na\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.667196 -0.022548 0.332745 O\n0.167196 0.522549 0.332745 O\n0.832804 0.477452 0.667255 O\n0.332804 0.022548 0.667255 O\n",
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{
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"structure_string": "B2 H18 C6 O6\n1.0\n6.937307 0.000000 -0.000000\n-3.468654 6.007883 0.000000\n0.000000 -0.000000 6.353983\nB H C O\n2 18 6 6\ndirect\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n0.855867 0.573508 0.391659 H\n0.439433 0.511918 0.250000 H\n0.927515 0.439432 0.750000 H\n0.144134 0.426492 0.608341 H\n0.717642 0.144134 0.391659 H\n0.855867 0.573508 0.108341 H\n0.717642 0.144134 0.108341 H\n0.488082 0.927514 0.250000 H\n0.282359 0.855866 0.891658 H\n0.426492 0.282358 0.108341 H\n0.144134 0.426492 0.891658 H\n0.573508 0.717641 0.608341 H\n0.573508 0.717641 0.891658 H\n0.072486 0.560567 0.250000 H\n0.560568 0.488081 0.750000 H\n0.511919 0.072486 0.750000 H\n0.426492 0.282358 0.391659 H\n0.282359 0.855866 0.608341 H\n0.630493 0.669326 0.750000 C\n0.330674 0.961164 0.750000 C\n0.961166 0.630492 0.250000 C\n0.038835 0.369507 0.750000 C\n0.669327 0.038835 0.250000 C\n0.369507 0.330673 0.250000 C\n0.772309 0.903645 0.250000 O\n0.131336 0.227691 0.250000 O\n0.096355 0.868663 0.250000 O\n0.227691 0.096355 0.750000 O\n0.868664 0.772308 0.750000 O\n0.903646 0.131336 0.750000 O\n",
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}