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{
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{
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{
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{
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"structure_string": "Ba4 Re12 S22\n1.0\n8.530668 0.004029 8.498063\n3.532137 7.765071 8.498063\n0.006255 0.004029 12.041152\nBa Re S\n4 12 22\ndirect\n0.811954 0.811953 0.811951 Ba\n0.688048 0.688047 0.688046 Ba\n0.188048 0.188047 0.188047 Ba\n0.311953 0.311953 0.311952 Ba\n0.381292 0.708585 0.511529 Re\n0.791415 0.118709 0.988469 Re\n0.618709 0.291415 0.488470 Re\n0.118710 0.988470 0.791414 Re\n0.488471 0.618709 0.291414 Re\n0.011530 0.208585 0.881290 Re\n0.208586 0.881291 0.011529 Re\n0.881291 0.011530 0.208585 Re\n0.988471 0.791415 0.118708 Re\n0.511530 0.381291 0.708584 Re\n0.291415 0.488470 0.618708 Re\n0.708586 0.511530 0.381290 Re\n0.187384 0.793819 0.427978 S\n0.793819 0.427979 0.187382 S\n0.427980 0.187383 0.793818 S\n0.590904 0.590904 0.590903 S\n0.706182 0.312617 0.072020 S\n0.909097 0.909096 0.909095 S\n0.409097 0.409096 0.409096 S\n0.090904 0.090904 0.090904 S\n0.484295 0.750000 0.015705 S\n0.750000 0.015706 0.484294 S\n0.015706 0.484294 0.749999 S\n0.515706 0.250000 0.984293 S\n0.250001 0.984294 0.515705 S\n0.984295 0.515706 0.249999 S\n0.206182 0.572021 0.812616 S\n0.572022 0.812617 0.206181 S\n0.812618 0.206181 0.572020 S\n0.687384 0.927979 0.293818 S\n0.927980 0.293819 0.687382 S\n0.293820 0.687383 0.927978 S\n0.072021 0.706181 0.312617 S\n0.312618 0.072021 0.706181 S\n",
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{
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"created_at": "2022-09-04T14:38:28.642363Z",
"updated_at": "2022-09-04T14:38:28.642388Z",
"structure_string": "Ba2 Ru7 O18\n1.0\n6.793776 0.004341 -0.007076\n-3.103582 6.463235 -0.000196\n-0.618135 -0.788338 7.507029\nBa Ru O\n2 7 18\ndirect\n0.317766 0.685540 0.623920 Ba\n0.682235 0.314458 0.376079 Ba\n0.825576 0.619230 0.800746 Ru\n0.000000 -0.000000 0.500000 Ru\n0.613752 0.724931 0.115493 Ru\n0.174425 0.380768 0.199253 Ru\n0.800611 0.125306 0.815383 Ru\n0.386249 0.275068 0.884506 Ru\n0.199390 0.874693 0.184616 Ru\n0.081624 0.269715 0.419088 O\n0.508786 0.089276 0.834436 O\n0.084774 0.767045 0.949831 O\n0.904943 0.869272 0.249378 O\n0.093833 0.599776 0.269437 O\n0.724579 0.000128 0.570249 O\n0.095058 0.130727 0.750621 O\n0.677313 0.487700 0.015111 O\n0.491215 0.910723 0.165563 O\n0.714941 0.832341 0.885318 O\n0.906168 0.400223 0.730562 O\n0.275422 0.999870 0.429750 O\n0.474573 0.558114 0.306295 O\n0.322688 0.512298 0.984888 O\n0.285060 0.167657 0.114681 O\n0.918377 0.730284 0.580911 O\n0.915227 0.232954 0.050168 O\n0.525428 0.441885 0.693704 O\n",
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"structure_string": "Ba2 Ru1 N2\n1.0\n3.994779 0.000000 -1.209985\n-0.366345 3.978140 -1.209491\n-0.001665 -0.002763 7.193900\nBa Ru N\n2 1 2\ndirect\n0.860649 0.860648 0.221297 Ba\n0.139353 0.139353 0.778703 Ba\n0.500001 0.500000 0.500000 Ru\n0.361294 0.361294 0.222587 N\n0.638708 0.638707 0.777413 N\n",
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{
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"structure_string": "Ba4 S6\n1.0\n5.650368 0.000000 -2.021845\n-0.723468 5.603860 -2.021845\n0.081981 0.093246 9.135458\nBa S\n4 6\ndirect\n0.953360 0.453360 0.906720 Ba\n0.203360 0.203360 0.406720 Ba\n0.552289 0.052289 0.104577 Ba\n0.802289 0.802289 0.604577 Ba\n0.962961 0.640586 0.281172 S\n0.390586 0.212962 0.781173 S\n0.390586 0.568213 0.781173 S\n0.318212 0.640586 0.281173 S\n0.000379 0.000379 0.000757 S\n0.750379 0.250379 0.500757 S\n",
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{
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]
}