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{
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{
"id": "mp-1520812",
"created_at": "2022-09-04T14:44:03.013941Z",
"structure_string": "Ba8 Tb4 Zr4 O24\n1.0\n8.715325 0.000000 0.000000\n0.000000 8.715325 0.000000\n-0.000000 0.000000 8.715325\nBa Tb Zr O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 -0.000000 -0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Tb\n0.750000 0.250000 0.250000 Tb\n0.250000 0.750000 0.250000 Tb\n0.250000 0.250000 0.750000 Tb\n0.250000 0.250000 0.250000 Zr\n0.250000 0.750000 0.750000 Zr\n0.750000 0.250000 0.750000 Zr\n0.750000 0.750000 0.250000 Zr\n0.233834 0.267361 0.491896 O\n0.233834 0.732639 0.508104 O\n0.766166 0.267361 0.508104 O\n0.766166 0.732639 0.491896 O\n0.267361 0.491896 0.233834 O\n0.732639 0.508104 0.233834 O\n0.267361 0.508104 0.766166 O\n0.732639 0.491896 0.766166 O\n0.491896 0.233834 0.267361 O\n0.508104 0.233834 0.732639 O\n0.508104 0.766166 0.267361 O\n0.491896 0.766166 0.732639 O\n0.266166 0.232639 0.008104 O\n0.266166 0.767361 0.991896 O\n0.733834 0.232639 0.991896 O\n0.733834 0.767361 0.008104 O\n0.232639 0.008104 0.266166 O\n0.767361 0.991896 0.266166 O\n0.232639 0.991896 0.733834 O\n0.767361 0.008104 0.733834 O\n0.008104 0.266166 0.232639 O\n0.991896 0.266166 0.767361 O\n0.991896 0.733834 0.232639 O\n0.008104 0.733834 0.767361 O\n",
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},
{
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"created_at": "2022-09-04T14:47:29.806618Z",
"structure_string": "La4 S2 O12\n1.0\n2.158175 7.234743 0.000000\n-2.158175 7.234743 0.000000\n0.000000 2.495644 8.071458\nLa S O\n4 2 12\ndirect\n0.326973 0.337071 0.083699 La\n0.662929 0.673027 0.416301 La\n0.337071 0.326973 0.583699 La\n0.673027 0.662929 0.916301 La\n0.940271 0.059729 0.750000 S\n0.059729 0.940271 0.250000 S\n0.956899 0.221330 0.206043 O\n0.778670 0.043101 0.293957 O\n0.043101 0.778670 0.793957 O\n0.221330 0.956899 0.706043 O\n0.261018 0.234191 0.876078 O\n0.765809 0.738982 0.623922 O\n0.737571 0.263762 0.605925 O\n0.234191 0.261018 0.376078 O\n0.263762 0.737571 0.105925 O\n0.738982 0.765809 0.123922 O\n0.736238 0.262429 0.894075 O\n0.262429 0.736238 0.394075 O\n",
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"formula_full": "La4 S2 O12",
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{
"id": "mp-557755",
"created_at": "2022-09-04T14:42:58.106430Z",
"structure_string": "Ba6 Cr4 Mo2 O18\n1.0\n-2.898601 -5.020504 0.000000\n-2.898607 5.020508 0.000000\n0.000000 0.000000 -14.243422\nBa Cr Mo O\n6 4 2 18\ndirect\n0.000004 0.999997 0.750004 Ba\n0.999995 0.000002 0.250005 Ba\n0.666674 0.333327 0.602191 Ba\n0.333326 0.666670 0.397821 Ba\n0.333330 0.666674 0.102190 Ba\n0.666672 0.333333 0.897819 Ba\n0.333338 0.666662 0.659352 Cr\n0.666662 0.333336 0.159354 Cr\n0.666666 0.333336 0.340629 Cr\n0.333335 0.666670 0.840633 Cr\n0.000002 0.999998 0.500001 Mo\n0.999999 0.000001 0.999998 Mo\n0.484645 0.969275 0.749996 O\n0.484649 0.515351 0.749999 O\n0.030724 0.515356 0.749997 O\n0.515357 0.030724 0.249994 O\n0.515351 0.484645 0.249994 O\n0.969275 0.484643 0.249994 O\n0.839552 0.679106 0.421724 O\n0.839550 0.160450 0.421725 O\n0.320895 0.160450 0.421725 O\n0.160449 0.320891 0.578282 O\n0.160447 0.839553 0.578281 O\n0.679109 0.839553 0.578281 O\n0.160447 0.320895 0.921725 O\n0.160447 0.839550 0.921724 O\n0.679103 0.839553 0.921725 O\n0.839552 0.679107 0.078280 O\n0.839553 0.160448 0.078280 O\n0.320892 0.160446 0.078280 O\n",
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],
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"density": 6.055739780370804,
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"formula_full": "Ba6 Cr4 Mo2 O18",
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{
"id": "mp-1229148",
"created_at": "2022-09-04T14:40:42.770778Z",
"structure_string": "Ba13 B30 Pb2 O60\n1.0\n3.635125 6.981811 0.000000\n-3.635125 6.981811 0.000000\n0.000000 2.482113 30.026944\nBa B Pb O\n13 30 2 60\ndirect\n0.877478 0.478130 0.760073 Ba\n0.477360 0.077389 0.960386 Ba\n0.077352 0.677466 0.160416 Ba\n0.676461 0.275934 0.360799 Ba\n0.276608 0.876584 0.560469 Ba\n0.922611 0.522640 0.039614 Ba\n0.521870 0.122522 0.239927 Ba\n0.123416 0.723392 0.439531 Ba\n0.724066 0.323539 0.639201 Ba\n0.322534 0.922648 0.839584 Ba\n0.600165 0.200007 0.799974 Ba\n0.199975 0.800025 0.000000 Ba\n0.799993 0.399835 0.200026 Ba\n0.105169 0.558850 0.926377 B\n0.705172 0.158815 0.126390 B\n0.305242 0.762215 0.326597 B\n0.903728 0.363222 0.526516 B\n0.503665 0.959772 0.726312 B\n0.114665 0.471380 0.848419 B\n0.714683 0.071401 0.048430 B\n0.314837 0.671309 0.248754 B\n0.918884 0.270204 0.448669 B\n0.518757 0.870245 0.648326 B\n0.812729 0.802594 0.877705 B\n0.412749 0.402611 0.077711 B\n0.012347 0.002400 0.277743 B\n0.613899 0.603275 0.476779 B\n0.214260 0.203462 0.676745 B\n0.597389 0.587251 0.922289 B\n0.197406 0.187271 0.122295 B\n0.796538 0.785740 0.323255 B\n0.396725 0.386101 0.523221 B\n0.997600 0.987653 0.722257 B\n0.841185 0.294828 0.873610 B\n0.441150 0.894831 0.073623 B\n0.040228 0.496335 0.273688 B\n0.636778 0.096272 0.473484 B\n0.237785 0.694758 0.673403 B\n0.928599 0.285317 0.951570 B\n0.528620 0.885335 0.151581 B\n0.129755 0.481243 0.351674 B\n0.729796 0.081116 0.551331 B\n0.328691 0.685163 0.751246 B\n0.399907 0.000073 0.400012 Pb\n0.999927 0.600093 0.599988 Pb\n0.206346 0.427209 0.890016 O\n0.806342 0.027197 0.090025 O\n0.405711 0.627957 0.290532 O\n0.005945 0.227842 0.490764 O\n0.606614 0.827055 0.690245 O\n0.921655 0.664576 0.842730 O\n0.521713 0.264613 0.042736 O\n0.122147 0.864514 0.242787 O\n0.724323 0.461330 0.442532 O\n0.323851 0.061412 0.642471 O\n0.912767 0.749293 0.918579 O\n0.512775 0.349285 0.118589 O\n0.111657 0.950247 0.318622 O\n0.709968 0.551192 0.518158 O\n0.311046 0.150223 0.718123 O\n0.650715 0.487225 0.881411 O\n0.250707 0.087233 0.081421 O\n0.849777 0.688954 0.281877 O\n0.448808 0.290032 0.481842 O\n0.049753 0.888343 0.681378 O\n0.972803 0.193658 0.909975 O\n0.572791 0.793654 0.109984 O\n0.172945 0.393386 0.309755 O\n0.772158 0.994055 0.509236 O\n0.372043 0.594289 0.709468 O\n0.735387 0.478287 0.957264 O\n0.335424 0.078345 0.157270 O\n0.938588 0.676149 0.357529 O\n0.538670 0.275677 0.557468 O\n0.135486 0.877853 0.757213 O\n0.189229 0.500480 0.966092 O\n0.789187 0.100431 0.166109 O\n0.390288 0.706638 0.366394 O\n0.988598 0.308186 0.566373 O\n0.587483 0.901914 0.766085 O\n0.201068 0.338243 0.815712 O\n0.801123 0.938202 0.015733 O\n0.401484 0.537999 0.216068 O\n0.009401 0.136661 0.415776 O\n0.609026 0.736832 0.615427 O\n0.622550 0.974501 0.873490 O\n0.222578 0.574506 0.073496 O\n0.821560 0.173804 0.273541 O\n0.424437 0.777648 0.471835 O\n0.025418 0.378291 0.671791 O\n0.425494 0.777422 0.926504 O\n0.025499 0.377450 0.126510 O\n0.621709 0.974582 0.328209 O\n0.222352 0.575563 0.528165 O\n0.826196 0.178440 0.726459 O\n0.899569 0.210813 0.833891 O\n0.499520 0.810771 0.033908 O\n0.098086 0.412517 0.233915 O\n0.691814 0.011402 0.433627 O\n0.293362 0.609712 0.633606 O\n0.061798 0.198877 0.984267 O\n0.661757 0.798932 0.184288 O\n0.263168 0.390974 0.384573 O\n0.863339 0.990599 0.584224 O\n0.462001 0.598516 0.783932 O\n",
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"formula_full": "Ba13 B30 Pb2 O60",
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{
"id": "mp-1216303",
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"structure_string": "V2 P2 O10\n1.0\n3.819930 3.525377 0.000000\n-3.819930 3.525377 0.000000\n0.000000 3.234628 6.281321\nV P O\n2 2 10\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.642940 0.357060 0.250000 P\n0.357060 0.642940 0.750000 P\n0.730060 0.210860 0.085043 O\n0.210860 0.730060 0.585043 O\n0.670781 0.717902 0.633727 O\n0.717902 0.670781 0.133727 O\n0.269940 0.789140 0.914957 O\n0.789140 0.269940 0.414957 O\n0.329219 0.282098 0.366273 O\n0.282098 0.329219 0.866273 O\n0.941920 0.058080 0.750000 O\n0.058080 0.941920 0.250000 O\n",
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{
"id": "mp-652854",
"created_at": "2022-09-04T14:41:12.207929Z",
"structure_string": "Bi4 Ru8 C24 O24\n1.0\n7.685827 0.000000 0.000000\n0.000000 11.758146 0.000000\n0.000000 11.488453 12.827510\nBi Ru C O\n4 8 24 24\ndirect\n0.249768 0.973421 0.039328 Bi\n0.250232 0.973421 0.539328 Bi\n0.750232 0.026579 0.960672 Bi\n0.749768 0.026579 0.460672 Bi\n0.563995 0.806027 0.154284 Ru\n0.936005 0.806027 0.654284 Ru\n0.436005 0.193973 0.845716 Ru\n0.063995 0.193973 0.345716 Ru\n0.535329 0.137511 0.035976 Ru\n0.964671 0.137511 0.535976 Ru\n0.464671 0.862489 0.964024 Ru\n0.035329 0.862489 0.464024 Ru\n0.777095 0.775613 0.222537 C\n0.722905 0.775613 0.722537 C\n0.222905 0.224387 0.777463 C\n0.277095 0.224387 0.277463 C\n0.574597 0.615256 0.190797 C\n0.925403 0.615256 0.690797 C\n0.425403 0.384744 0.809203 C\n0.074597 0.384744 0.309203 C\n0.424902 0.731567 0.271851 C\n0.075098 0.731567 0.771851 C\n0.575098 0.268433 0.728149 C\n0.924902 0.268433 0.228149 C\n0.708821 0.291900 0.976171 C\n0.791179 0.291900 0.476171 C\n0.291179 0.708100 0.023829 C\n0.208821 0.708100 0.523829 C\n0.356034 0.258805 0.026039 C\n0.143966 0.258805 0.526039 C\n0.643966 0.741195 0.973961 C\n0.856034 0.741195 0.473961 C\n0.591510 0.040470 0.174588 C\n0.908490 0.040470 0.674588 C\n0.408490 0.959530 0.825412 C\n0.091510 0.959530 0.325412 C\n0.903824 0.751624 0.268068 O\n0.596176 0.751624 0.768068 O\n0.096176 0.248376 0.731932 O\n0.403824 0.248376 0.231932 O\n0.587633 0.490738 0.224431 O\n0.912367 0.490738 0.724431 O\n0.412367 0.509262 0.775569 O\n0.087633 0.509262 0.275569 O\n0.344431 0.683346 0.345180 O\n0.155569 0.683346 0.845180 O\n0.655569 0.316654 0.654820 O\n0.844431 0.316654 0.154820 O\n0.812662 0.386639 0.941955 O\n0.687338 0.386639 0.441955 O\n0.187338 0.613361 0.058045 O\n0.312662 0.613361 0.558045 O\n0.250208 0.333036 0.021816 O\n0.249792 0.333036 0.521816 O\n0.749792 0.666964 0.978184 O\n0.750208 0.666964 0.478184 O\n0.624939 0.996417 0.256803 O\n0.875061 0.996417 0.756803 O\n0.375061 0.003583 0.743197 O\n0.124939 0.003583 0.243197 O\n",
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{
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"structure_string": "Y1 Lu1 Ir2\n1.0\n0.000000 3.399873 3.399873\n3.399873 0.000000 3.399873\n3.399873 3.399873 0.000000\nY Lu Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
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{
"id": "mp-1247614",
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"structure_string": "Ca32 Ti12 Mn20 O84\n1.0\n11.149354 -0.042988 -0.131916\n-0.058359 15.464355 -0.008642\n-0.129132 -0.002747 11.121044\nCa Ti Mn O\n32 12 20 84\ndirect\n0.974567 0.122597 0.531545 Ca\n0.978549 0.118690 0.024092 Ca\n0.996931 0.619556 0.526434 Ca\n0.994594 0.618146 0.001145 Ca\n0.539634 0.120038 0.482290 Ca\n0.540594 0.124215 0.986489 Ca\n0.533533 0.627356 0.513314 Ca\n0.544613 0.621705 0.971851 Ca\n0.509477 0.388763 0.987831 Ca\n0.487281 0.376079 0.523285 Ca\n0.535538 0.857907 0.975220 Ca\n0.489384 0.863586 0.500163 Ca\n0.963507 0.387076 0.007927 Ca\n0.956304 0.386209 0.510049 Ca\n0.956548 0.878404 0.997168 Ca\n0.964953 0.868460 0.515302 Ca\n0.243670 0.390554 0.225419 Ca\n0.233048 0.403292 0.759740 Ca\n0.241291 0.880983 0.275492 Ca\n0.229708 0.863326 0.720199 Ca\n0.745982 0.375405 0.251653 Ca\n0.724628 0.388604 0.762325 Ca\n0.741956 0.861831 0.241585 Ca\n0.717874 0.864893 0.736862 Ca\n0.223451 0.121322 0.217367 Ca\n0.228869 0.115219 0.733074 Ca\n0.244702 0.618370 0.273580 Ca\n0.263200 0.625436 0.718784 Ca\n0.765790 0.121243 0.252064 Ca\n0.765053 0.127342 0.753896 Ca\n0.768524 0.612788 0.256436 Ca\n0.771173 0.625496 0.751981 Ca\n0.988639 0.994918 0.265662 Ti\n0.982772 0.994035 0.757357 Ti\n0.002095 0.498866 0.258852 Ti\n0.241333 0.973373 0.019312 Ti\n0.232649 0.002776 0.507500 Ti\n0.253171 0.521655 0.007037 Ti\n0.263681 0.245054 0.938652 Ti\n0.255515 0.238967 0.440302 Ti\n0.264863 0.743321 0.978960 Ti\n0.988279 0.251933 0.271875 Ti\n0.994319 0.257561 0.777207 Ti\n0.999402 0.746973 0.271662 Ti\n0.994296 0.499262 0.757535 Mn\n0.501296 0.989112 0.223387 Mn\n0.499012 0.999578 0.721636 Mn\n0.504730 0.489702 0.247781 Mn\n0.493292 0.501976 0.750488 Mn\n0.232184 0.488667 0.507192 Mn\n0.741584 0.000649 0.988863 Mn\n0.742592 0.995693 0.487234 Mn\n0.751336 0.502056 0.004600 Mn\n0.738718 0.498176 0.506602 Mn\n0.244999 0.743844 0.491432 Mn\n0.745271 0.250513 0.007794 Mn\n0.742960 0.249866 0.504288 Mn\n0.760214 0.747806 0.998185 Mn\n0.749714 0.747882 0.501228 Mn\n0.000896 0.751673 0.752553 Mn\n0.503742 0.256778 0.260475 Mn\n0.507809 0.247248 0.756582 Mn\n0.514439 0.750580 0.262394 Mn\n0.497768 0.747350 0.742963 Mn\n0.098142 0.769494 0.605179 O\n0.561330 0.258544 0.094201 O\n0.566718 0.247914 0.590869 O\n0.606646 0.764814 0.118809 O\n0.605782 0.763459 0.595701 O\n0.384168 0.185156 0.365849 O\n0.388096 0.184235 0.867385 O\n0.407981 0.694666 0.368155 O\n0.411664 0.733073 0.924432 O\n0.924481 0.240274 0.415845 O\n0.923489 0.239417 0.916955 O\n0.910518 0.728518 0.402071 O\n0.916459 0.738725 0.902172 O\n0.168370 0.252959 0.297343 O\n0.176064 0.255143 0.794210 O\n0.165841 0.749308 0.313268 O\n0.175506 0.741626 0.845699 O\n0.658121 0.228365 0.349273 O\n0.661131 0.232525 0.853986 O\n0.662970 0.723334 0.349361 O\n0.643472 0.732416 0.849234 O\n0.355437 0.758189 0.640164 O\n0.857703 0.264078 0.159240 O\n0.874925 0.265991 0.656760 O\n0.891434 0.777321 0.146790 O\n0.849048 0.774085 0.643677 O\n0.357520 0.512185 0.162810 O\n0.347597 0.489336 0.640418 O\n0.354035 0.028903 0.117111 O\n0.364573 0.043321 0.602902 O\n0.866121 0.481586 0.152232 O\n0.845646 0.477084 0.643362 O\n0.862766 0.978125 0.160821 O\n0.859437 0.978206 0.654866 O\n0.176212 0.017568 0.350433 O\n0.236237 0.994533 0.860290 O\n0.160230 0.492924 0.346364 O\n0.161707 0.527415 0.866193 O\n0.628518 0.029537 0.336882 O\n0.625022 0.040233 0.835164 O\n0.630284 0.521839 0.360841 O\n0.640748 0.516036 0.855670 O\n0.395198 0.516152 0.912619 O\n0.900137 0.017232 0.402153 O\n0.897768 0.014186 0.899520 O\n0.907586 0.516848 0.391237 O\n0.895178 0.511102 0.898794 O\n0.118856 0.476259 0.097946 O\n0.092668 0.473073 0.617714 O\n0.101129 0.989702 0.097592 O\n0.109855 0.988056 0.613184 O\n0.606982 0.494988 0.111793 O\n0.594240 0.485180 0.612803 O\n0.595164 0.983886 0.074872 O\n0.601448 0.979612 0.577468 O\n0.005361 0.372777 0.276412 O\n0.018144 0.376244 0.803254 O\n0.021169 0.879080 0.302093 O\n0.028739 0.882432 0.797420 O\n0.449262 0.379255 0.311551 O\n0.487957 0.376665 0.777414 O\n0.454790 0.869737 0.285756 O\n0.493287 0.873397 0.770748 O\n0.479383 0.623833 0.720848 O\n0.003056 0.126666 0.231568 O\n0.012831 0.122438 0.743078 O\n0.011890 0.625272 0.220494 O\n0.987413 0.623882 0.726673 O\n0.177116 0.176522 0.033145 O\n0.182099 0.158718 0.532746 O\n0.223981 0.641630 0.057947 O\n0.217190 0.614273 0.508482 O\n0.752867 0.124435 0.041005 O\n0.754170 0.124665 0.540020 O\n0.760533 0.624893 0.039202 O\n0.749610 0.624636 0.541991 O\n0.272310 0.347055 0.506542 O\n0.292661 0.353642 0.998146 O\n0.278965 0.889938 0.487143 O\n0.262984 0.854285 0.053662 O\n0.748634 0.374084 0.462267 O\n0.746403 0.375085 0.977242 O\n0.757599 0.870848 0.450239 O\n0.748451 0.876731 0.955690 O\n",
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{
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{
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"structure_string": "Li8 Ti4 Mn10 O24\n1.0\n9.073051 0.000000 0.000000\n0.000000 5.294156 0.000000\n0.000000 1.574474 9.941233\nLi Ti Mn O\n8 4 10 24\ndirect\n0.907359 0.007214 0.741687 Li\n0.910975 0.492213 0.259146 Li\n0.585479 0.752645 0.501782 Li\n0.589679 0.501741 0.259355 Li\n0.407359 0.992786 0.258313 Li\n0.410975 0.507787 0.740854 Li\n0.085479 0.247355 0.498218 Li\n0.089679 0.498259 0.740645 Li\n0.757257 0.241295 0.504838 Ti\n0.753276 0.758330 0.993399 Ti\n0.253276 0.241670 0.006601 Ti\n0.257257 0.758705 0.495162 Ti\n0.921778 0.250079 0.005188 Mn\n0.926403 0.750674 0.494694 Mn\n0.746991 0.989858 0.256678 Mn\n0.579953 0.245852 0.998410 Mn\n0.737504 0.517726 0.739576 Mn\n0.426403 0.249326 0.505306 Mn\n0.421778 0.749921 0.994812 Mn\n0.246991 0.010142 0.743322 Mn\n0.237504 0.482274 0.260424 Mn\n0.079953 0.754148 0.001590 Mn\n0.895202 0.142654 0.381105 O\n0.897445 0.854366 0.116767 O\n0.769484 0.887341 0.604663 O\n0.760392 0.102867 0.892977 O\n0.900073 0.635464 0.878337 O\n0.898036 0.363888 0.624655 O\n0.588187 0.143164 0.386543 O\n0.762445 0.614873 0.386653 O\n0.590228 0.857370 0.117019 O\n0.752584 0.387958 0.113581 O\n0.590359 0.625709 0.885822 O\n0.587955 0.379195 0.607799 O\n0.397445 0.145634 0.883233 O\n0.395202 0.857346 0.618895 O\n0.269484 0.112659 0.395337 O\n0.398036 0.636112 0.375345 O\n0.260392 0.897133 0.107023 O\n0.400073 0.364536 0.121663 O\n0.090228 0.142630 0.882981 O\n0.262445 0.385127 0.613347 O\n0.088187 0.856836 0.613457 O\n0.252584 0.612042 0.886419 O\n0.087955 0.620805 0.392201 O\n0.090359 0.374291 0.114178 O\n",
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}
]
}