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{
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{
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{
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"structure_string": "Dy4 B16 Ru16\n1.0\n-3.747777 3.747777 7.531393\n3.747777 -3.747777 7.531393\n3.747777 3.747777 -7.531393\nDy B Ru\n4 16 16\ndirect\n0.750000 0.750000 0.000000 Dy\n0.250000 0.250000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.722351 0.415261 0.973181 B\n0.222351 0.249170 0.307090 B\n0.665261 0.472351 0.473181 B\n0.165261 0.692080 0.192910 B\n0.027649 0.834739 0.526819 B\n0.527649 0.000830 0.192910 B\n0.084739 0.777649 0.026819 B\n0.584739 0.557920 0.307090 B\n0.942080 0.915261 0.692910 B\n0.442080 0.749170 0.026819 B\n0.499170 0.972351 0.807090 B\n0.999170 0.192080 0.526819 B\n0.807920 0.334739 0.807090 B\n0.307920 0.500830 0.473181 B\n0.250830 0.277649 0.692910 B\n0.750830 0.057920 0.973181 B\n0.039485 0.572772 0.235606 Ru\n0.539485 0.303878 0.466713 Ru\n0.822772 0.789485 0.735606 Ru\n0.322772 0.587165 0.033287 Ru\n0.710515 0.677228 0.264394 Ru\n0.210515 0.946122 0.033287 Ru\n0.927228 0.460515 0.764394 Ru\n0.427228 0.662835 0.466713 Ru\n0.837165 0.072772 0.533287 Ru\n0.337165 0.803878 0.764394 Ru\n0.553878 0.289485 0.966713 Ru\n0.053878 0.087165 0.264394 Ru\n0.912835 0.177228 0.966713 Ru\n0.412835 0.446122 0.735606 Ru\n0.196122 0.960515 0.533287 Ru\n0.696122 0.162835 0.235606 Ru\n",
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{
"id": "mp-27892",
"created_at": "2022-09-04T14:46:52.713253Z",
"structure_string": "B20 H44 N8\n1.0\n5.183949 5.847055 0.000000\n-5.183949 5.847055 0.000000\n0.000000 1.341653 9.820254\nB H N\n20 44 8\ndirect\n0.561800 0.226265 0.142234 B\n0.773735 0.438200 0.357766 B\n0.438200 0.773735 0.857766 B\n0.226265 0.561800 0.642234 B\n0.786213 0.180575 0.162999 B\n0.819425 0.213787 0.337001 B\n0.213787 0.819425 0.837001 B\n0.180575 0.786213 0.662999 B\n0.717337 0.384029 0.078247 B\n0.615971 0.282663 0.421753 B\n0.282663 0.615971 0.921753 B\n0.384029 0.717337 0.578247 B\n0.865790 0.369810 0.201167 B\n0.630190 0.134210 0.298833 B\n0.134210 0.630190 0.798833 B\n0.369810 0.865790 0.701167 B\n0.724701 0.558304 0.191020 B\n0.441696 0.275299 0.308980 B\n0.275299 0.441696 0.808980 B\n0.558304 0.724701 0.691020 B\n0.546352 0.395173 0.103346 H\n0.604827 0.453648 0.396654 H\n0.453648 0.604827 0.896654 H\n0.395173 0.546352 0.603346 H\n0.177026 0.641549 0.286558 H\n0.358451 0.822974 0.213442 H\n0.822974 0.358451 0.713442 H\n0.641549 0.177026 0.786558 H\n0.748176 0.830917 0.123321 H\n0.169083 0.251824 0.376679 H\n0.251824 0.169083 0.876679 H\n0.830917 0.748176 0.623321 H\n0.500503 0.149692 0.062905 H\n0.850308 0.499497 0.437095 H\n0.499497 0.850308 0.937095 H\n0.149692 0.500503 0.562905 H\n0.754707 0.410848 0.958108 H\n0.926830 0.738337 0.191336 H\n0.589152 0.245293 0.541892 H\n0.410848 0.754707 0.458108 H\n0.011725 0.399816 0.163733 H\n0.600184 0.988275 0.336267 H\n0.988275 0.600184 0.836267 H\n0.399816 0.011725 0.663733 H\n0.879343 0.070928 0.106251 H\n0.929072 0.120657 0.393749 H\n0.120657 0.929072 0.893749 H\n0.070928 0.879343 0.606251 H\n0.793755 0.092235 0.882522 H\n0.907765 0.206245 0.617478 H\n0.206245 0.907765 0.117478 H\n0.092235 0.793755 0.382522 H\n0.606126 0.573016 0.713995 H\n0.426984 0.393874 0.786005 H\n0.393874 0.426984 0.286005 H\n0.573016 0.606126 0.213995 H\n0.698419 0.886702 0.535879 H\n0.113298 0.301581 0.964121 H\n0.301581 0.113298 0.464121 H\n0.886702 0.698419 0.035879 H\n0.738337 0.926830 0.691336 H\n0.073170 0.261663 0.808664 H\n0.261663 0.073170 0.308664 H\n0.245293 0.589152 0.041892 H\n0.827655 0.716744 0.131547 N\n0.283256 0.172345 0.368453 N\n0.172345 0.283256 0.868453 N\n0.716744 0.827655 0.631547 N\n0.116283 0.765564 0.283321 N\n0.234436 0.883717 0.216679 N\n0.883717 0.234436 0.716679 N\n0.765564 0.116283 0.783321 N\n",
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{
"id": "mp-1200025",
"created_at": "2022-09-04T14:46:51.946451Z",
"structure_string": "Ca4 Be4 P4 O20\n1.0\n7.760291 0.000000 0.000000\n0.000000 4.914742 0.000000\n0.000000 0.044354 9.791164\nCa Be P O\n4 4 4 20\ndirect\n0.382367 0.997073 0.170115 Ca\n0.882367 0.002927 0.329885 Ca\n0.617633 0.002927 0.829885 Ca\n0.117633 0.997073 0.670115 Ca\n0.086475 0.539731 0.162004 Be\n0.586475 0.460269 0.337996 Be\n0.913525 0.460269 0.837996 Be\n0.413525 0.539731 0.662004 Be\n0.231528 0.469597 0.417505 P\n0.731528 0.530403 0.082495 P\n0.768472 0.530403 0.582495 P\n0.268472 0.469597 0.917505 P\n0.102723 0.244511 0.456637 O\n0.602723 0.755489 0.043363 O\n0.897277 0.755489 0.543363 O\n0.397277 0.244511 0.956637 O\n0.218394 0.644704 0.043062 O\n0.718394 0.355296 0.456938 O\n0.781606 0.355296 0.956938 O\n0.281606 0.644704 0.543062 O\n0.156617 0.669302 0.307456 O\n0.656617 0.330698 0.192544 O\n0.843383 0.330698 0.692544 O\n0.343383 0.669302 0.807456 O\n0.395651 0.332463 0.357393 O\n0.895651 0.667537 0.142607 O\n0.604349 0.667537 0.642607 O\n0.104349 0.332463 0.857393 O\n0.094085 0.214320 0.186188 O\n0.594085 0.785680 0.313812 O\n0.905915 0.785680 0.813812 O\n0.405915 0.214320 0.686188 O\n",
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{
"id": "mp-1204726",
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"structure_string": "Ba12 Ga4 S16 Br4\n1.0\n8.652492 0.000000 0.000000\n0.000000 9.708967 0.000000\n0.000000 0.000000 12.533810\nBa Ga S Br\n12 4 16 4\ndirect\n0.416953 0.750000 0.474399 Ba\n0.083047 0.750000 0.974399 Ba\n0.583047 0.250000 0.525601 Ba\n0.916953 0.250000 0.025601 Ba\n0.910769 0.520267 0.335042 Ba\n0.589231 0.979733 0.835042 Ba\n0.089231 0.020267 0.664958 Ba\n0.410769 0.479733 0.164958 Ba\n0.089231 0.479733 0.664958 Ba\n0.410769 0.020267 0.164958 Ba\n0.910769 0.979733 0.335042 Ba\n0.589231 0.520267 0.835042 Ba\n0.689179 0.750000 0.104127 Ga\n0.810821 0.750000 0.604127 Ga\n0.310821 0.250000 0.895873 Ga\n0.189179 0.250000 0.395873 Ga\n0.814420 0.550459 0.070616 S\n0.685580 0.949541 0.570616 S\n0.185580 0.050459 0.929384 S\n0.314420 0.449541 0.429384 S\n0.185580 0.449541 0.929384 S\n0.314420 0.050459 0.429384 S\n0.814420 0.949541 0.070616 S\n0.685580 0.550459 0.570616 S\n0.637461 0.750000 0.283555 S\n0.862539 0.750000 0.783555 S\n0.362539 0.250000 0.716445 S\n0.137461 0.250000 0.216445 S\n0.466048 0.750000 0.005749 S\n0.033952 0.750000 0.505749 S\n0.533952 0.250000 0.994251 S\n0.966048 0.250000 0.494251 S\n0.168800 0.750000 0.232053 Br\n0.331200 0.750000 0.732053 Br\n0.831200 0.250000 0.767947 Br\n0.668800 0.250000 0.267947 Br\n",
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{
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"structure_string": "Cd6 I12\n1.0\n2.167268 -3.753818 0.000000\n2.167268 3.753818 0.000000\n0.000000 0.000000 45.806211\nCd I\n6 12\ndirect\n0.333333 0.666667 0.874963 Cd\n0.333333 0.666667 0.708373 Cd\n0.666667 0.333333 0.041682 Cd\n0.333333 0.666667 0.374959 Cd\n0.333333 0.666667 0.541680 Cd\n0.666667 0.333333 0.208327 Cd\n0.333333 0.666667 0.079314 I\n0.000000 0.000000 0.170649 I\n0.000000 0.000000 0.670685 I\n0.000000 0.000000 0.337274 I\n0.666667 0.333333 0.912605 I\n0.666667 0.333333 0.412613 I\n0.000000 0.000000 0.003999 I\n0.666667 0.333333 0.579305 I\n0.666667 0.333333 0.746006 I\n0.000000 0.000000 0.837290 I\n0.333333 0.666667 0.245952 I\n0.000000 0.000000 0.504024 I\n",
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{
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{
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{
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{
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}