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{
"id": "mp-1032824",
"created_at": "2022-09-04T14:43:52.002035Z",
"structure_string": "Mg6 Fe1 Sn1 O8\n1.0\n8.797084 0.000000 0.000000\n0.000000 4.466888 0.000000\n0.000000 0.000000 4.466888\nMg Fe Sn O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.261329 0.000000 0.500000 Mg\n0.738671 0.000000 0.500000 Mg\n0.261329 0.500000 0.000000 Mg\n0.738671 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Sn\n0.254061 0.000000 0.000000 O\n0.745939 0.000000 0.000000 O\n0.273635 0.500000 0.500000 O\n0.726365 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "La8 Tm8 S24\n1.0\n4.001904 0.000000 0.000000\n0.000000 11.066308 0.000000\n0.000000 4.304102 21.197087\nLa Tm S\n8 8 24\ndirect\n0.250000 0.301867 0.764858 La\n0.750000 0.698133 0.235142 La\n0.250000 0.907616 0.863969 La\n0.750000 0.092384 0.136031 La\n0.250000 0.691303 0.732064 La\n0.750000 0.308697 0.267936 La\n0.250000 0.799833 0.535406 La\n0.750000 0.200167 0.464594 La\n0.250000 0.552213 0.417288 Tm\n0.750000 0.447787 0.582712 Tm\n0.250000 0.971030 0.351014 Tm\n0.750000 0.028970 0.648986 Tm\n0.250000 0.819918 0.047045 Tm\n0.750000 0.180082 0.952955 Tm\n0.250000 0.477344 0.087683 Tm\n0.750000 0.522656 0.912317 Tm\n0.250000 0.086267 0.035547 S\n0.750000 0.913733 0.964453 S\n0.250000 0.204219 0.366202 S\n0.750000 0.795781 0.633798 S\n0.250000 0.745968 0.325754 S\n0.750000 0.254032 0.674246 S\n0.250000 0.634494 0.963821 S\n0.750000 0.365506 0.036179 S\n0.250000 0.506468 0.220945 S\n0.750000 0.493532 0.779055 S\n0.250000 0.252909 0.173810 S\n0.750000 0.747091 0.826190 S\n0.250000 0.875465 0.163303 S\n0.750000 0.124535 0.836697 S\n0.250000 0.357175 0.514533 S\n0.750000 0.642825 0.485467 S\n0.250000 0.058048 0.556853 S\n0.750000 0.941952 0.443147 S\n0.250000 0.964269 0.728131 S\n0.750000 0.035731 0.271869 S\n0.250000 0.545927 0.632967 S\n0.750000 0.454073 0.367033 S\n0.250000 0.342148 0.901430 S\n0.750000 0.657852 0.098570 S\n",
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"elements": [
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"updated_at": "2021-11-28T01:36:25.514000Z",
"spacegroup": 11
},
{
"id": "mp-1032333",
"created_at": "2022-09-04T14:43:40.927541Z",
"structure_string": "Rb1 Mg6 Co1 O8\n1.0\n9.056429 0.000000 0.000000\n0.000000 4.417062 0.000000\n0.000000 0.000000 4.417062\nRb Mg Co O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.266977 0.000000 0.500000 Mg\n0.733023 0.000000 0.500000 Mg\n0.266977 0.500000 0.000000 Mg\n0.733023 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.254286 0.000000 0.000000 O\n0.745714 0.000000 0.000000 O\n0.280424 0.500000 0.500000 O\n0.719576 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
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"elements": [
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"Mg",
"Co",
"O"
],
"chemical_system": "Co-Mg-O-Rb",
"density": 3.9303963784949705,
"density_atomic": 0.09055157433960573,
"volume": 176.6948848398086,
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"formula_full": "Rb1 Mg6 Co1 O8",
"formula_reduced": "RbMg6CoO8",
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"spacegroup": 123
},
{
"id": "mp-1244926",
"created_at": "2022-09-04T14:43:51.866078Z",
"structure_string": "Ti50 O50\n1.0\n10.426171 0.054754 0.060601\n0.052744 10.749175 -0.184076\n0.060512 -0.169462 10.675397\nTi O\n50 50\ndirect\n0.251604 0.487087 0.009280 Ti\n0.577974 0.693740 0.133813 Ti\n0.670320 0.070264 0.265039 Ti\n0.643899 0.110382 0.588656 Ti\n0.438718 0.180711 0.136048 Ti\n0.621230 0.108675 0.911618 Ti\n0.569399 0.810135 0.917249 Ti\n0.168895 0.246622 0.120771 Ti\n0.010530 0.645964 0.428414 Ti\n0.085211 0.880788 0.114947 Ti\n0.146833 0.271603 0.835779 Ti\n0.773023 0.558854 0.364397 Ti\n0.300136 0.744448 0.320724 Ti\n0.117272 0.127997 0.551419 Ti\n0.361125 0.264349 0.438879 Ti\n0.929814 0.459820 0.643141 Ti\n0.426434 0.565409 0.487565 Ti\n0.567836 0.871520 0.674112 Ti\n0.328246 0.726125 0.032909 Ti\n0.969369 0.446001 0.920523 Ti\n0.386241 0.300131 0.901994 Ti\n0.796525 0.565895 0.074988 Ti\n0.575245 0.800213 0.398841 Ti\n0.856613 0.800845 0.634412 Ti\n0.802124 0.644305 0.838927 Ti\n0.049486 0.605872 0.132909 Ti\n0.375187 0.128942 0.733655 Ti\n0.936295 0.352221 0.158697 Ti\n0.079850 0.884876 0.413891 Ti\n0.468323 0.914134 0.154802 Ti\n0.086807 0.945812 0.742848 Ti\n0.640514 0.347330 0.299166 Ti\n0.882519 0.247473 0.432201 Ti\n0.864411 0.130524 0.701206 Ti\n0.434544 0.601439 0.780422 Ti\n0.262616 0.029838 0.265423 Ti\n0.669547 0.630895 0.608257 Ti\n0.439888 0.002911 0.467357 Ti\n0.285254 0.792590 0.594373 Ti\n0.213027 0.439915 0.623699 Ti\n0.644665 0.379893 0.570089 Ti\n0.881199 0.965794 0.918764 Ti\n0.083079 0.660191 0.848194 Ti\n0.735181 0.374245 0.854110 Ti\n0.951283 0.074807 0.239328 Ti\n0.837618 0.821359 0.233756 Ti\n0.828320 0.972249 0.458478 Ti\n0.537618 0.463145 0.034546 Ti\n0.264947 0.032646 0.981378 Ti\n0.323368 0.432902 0.230955 Ti\n0.495447 0.351588 0.180297 O\n0.458738 0.174462 0.565998 O\n0.151336 0.772609 0.727987 O\n0.138534 0.435421 0.165456 O\n0.088537 0.966547 0.926509 O\n0.504259 0.394009 0.424638 O\n0.547140 0.045521 0.749359 O\n0.296565 0.567875 0.356520 O\n0.320320 0.323249 0.737284 O\n0.809706 0.134305 0.880174 O\n0.914808 0.803098 0.819526 O\n0.130581 0.066274 0.132613 O\n0.087526 0.735935 0.282829 O\n0.271712 0.614672 0.879474 O\n0.690832 0.236885 0.440198 O\n0.176704 0.117885 0.732220 O\n0.585043 0.063419 0.098439 O\n0.963695 0.256574 0.603458 O\n0.273013 0.089845 0.435909 O\n0.989051 0.066525 0.426076 O\n0.071516 0.512177 0.530838 O\n0.631738 0.993920 0.429567 O\n0.091927 0.451129 0.773290 O\n0.164520 0.938974 0.570257 O\n0.582185 0.298296 0.943826 O\n0.503712 0.644476 0.954736 O\n0.798060 0.178867 0.199518 O\n0.040983 0.289750 0.991524 O\n0.304837 0.604405 0.626455 O\n0.422993 0.121690 0.941273 O\n0.605668 0.625720 0.432958 O\n0.727713 0.716505 0.002358 O\n0.280208 0.857058 0.174361 O\n0.200139 0.292300 0.520759 O\n0.696020 0.935937 0.909019 O\n0.753225 0.498239 0.715430 O\n0.812983 0.382481 0.023326 O\n0.755199 0.963965 0.642387 O\n0.399358 0.890472 0.972264 O\n0.114675 0.731634 0.018070 O\n0.393686 0.569786 0.125994 O\n0.854385 0.629044 0.534619 O\n0.024637 0.242535 0.281201 O\n0.699593 0.261442 0.697902 O\n0.649054 0.858498 0.223978 O\n0.525674 0.507586 0.647751 O\n0.829878 0.389845 0.312670 O\n0.655200 0.519980 0.198913 O\n0.298652 0.245425 0.263654 O\n0.899701 0.943618 0.102872 O\n",
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"density": 4.433549138365065,
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"formula_full": "Ti50 O50",
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{
"id": "mp-849321",
"created_at": "2022-09-04T14:43:37.214299Z",
"structure_string": "Li8 Mn4 Si16 O40\n1.0\n10.023851 0.000000 0.000000\n0.000000 7.116276 0.000000\n0.000000 5.932281 13.750809\nLi Mn Si O\n8 4 16 40\ndirect\n0.839607 0.967810 0.413664 Li\n0.087776 0.546345 0.757876 Li\n0.587776 0.453655 0.742124 Li\n0.339607 0.032190 0.086336 Li\n0.660393 0.967810 0.913664 Li\n0.412224 0.546345 0.257876 Li\n0.912224 0.453655 0.242124 Li\n0.160393 0.032190 0.586336 Li\n0.861899 0.792395 0.655634 Mn\n0.361899 0.207605 0.844366 Mn\n0.638101 0.792395 0.155634 Mn\n0.138101 0.207605 0.344366 Mn\n0.727116 0.644430 0.865010 Si\n0.448885 0.679107 0.835404 Si\n0.025862 0.091229 0.168877 Si\n0.267802 0.785393 0.460336 Si\n0.767802 0.214607 0.039664 Si\n0.525862 0.908771 0.331123 Si\n0.772884 0.644430 0.365010 Si\n0.051115 0.679107 0.335404 Si\n0.948885 0.320893 0.664596 Si\n0.227116 0.355570 0.634990 Si\n0.474138 0.091229 0.668877 Si\n0.232198 0.785393 0.960336 Si\n0.732198 0.214607 0.539664 Si\n0.974138 0.908771 0.831123 Si\n0.551115 0.320893 0.164596 Si\n0.272884 0.355570 0.134990 Si\n0.546924 0.158507 0.279408 O\n0.691246 0.277220 0.121378 O\n0.187624 0.969138 0.475271 O\n0.985704 0.186928 0.247268 O\n0.418965 0.276136 0.106050 O\n0.717711 0.649573 0.756866 O\n0.176047 0.178610 0.121202 O\n0.420104 0.852906 0.420848 O\n0.776458 0.419636 0.939512 O\n0.920104 0.147094 0.079152 O\n0.676047 0.821390 0.378798 O\n0.966720 0.551166 0.654979 O\n0.466720 0.448834 0.845021 O\n0.276458 0.580364 0.560488 O\n0.918965 0.723864 0.393950 O\n0.485704 0.813072 0.252732 O\n0.687624 0.030862 0.024729 O\n0.191246 0.722780 0.378622 O\n0.046924 0.841493 0.220592 O\n0.217711 0.350427 0.743134 O\n0.782289 0.649573 0.256866 O\n0.953076 0.158507 0.779408 O\n0.808754 0.277220 0.621378 O\n0.312376 0.969138 0.975271 O\n0.514296 0.186928 0.747268 O\n0.081035 0.276136 0.606050 O\n0.723542 0.419636 0.439512 O\n0.533280 0.551166 0.154979 O\n0.033280 0.448834 0.345021 O\n0.323953 0.178610 0.621202 O\n0.079896 0.852906 0.920848 O\n0.223542 0.580364 0.060488 O\n0.579896 0.147094 0.579152 O\n0.823953 0.821390 0.878798 O\n0.282289 0.350427 0.243134 O\n0.581035 0.723864 0.893950 O\n0.014296 0.813072 0.752732 O\n0.812376 0.030862 0.524729 O\n0.308754 0.722780 0.878622 O\n0.453076 0.841493 0.720592 O\n",
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"formula_full": "Li8 Mn4 Si16 O40",
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{
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"elements": [
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{
"id": "mp-771955",
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"structure_string": "Sr12 La4 Br36\n1.0\n7.269766 0.000000 0.000000\n0.000000 7.810688 0.000000\n0.000000 1.024266 30.644094\nSr La Br\n12 4 36\ndirect\n0.969830 0.672149 0.932988 Sr\n0.003478 0.703624 0.692173 Sr\n0.030170 0.672149 0.432988 Sr\n0.996522 0.703624 0.192173 Sr\n0.987909 0.316932 0.568760 Sr\n0.984854 0.283062 0.809232 Sr\n0.012091 0.316932 0.068760 Sr\n0.015146 0.283062 0.309232 Sr\n0.520738 0.214511 0.692096 Sr\n0.514970 0.177362 0.931715 Sr\n0.479262 0.214511 0.192096 Sr\n0.485030 0.177362 0.431715 Sr\n0.520735 0.795683 0.807001 La\n0.544767 0.820137 0.567437 La\n0.479265 0.795683 0.307001 La\n0.455233 0.820137 0.067437 La\n0.800386 0.984194 0.869646 Br\n0.821117 0.990093 0.751351 Br\n0.817811 0.998053 0.628840 Br\n0.199614 0.984194 0.369646 Br\n0.178883 0.990093 0.251351 Br\n0.709702 0.891671 0.991485 Br\n0.182189 0.998053 0.128840 Br\n0.326190 0.849542 0.894546 Br\n0.290298 0.891671 0.491485 Br\n0.393362 0.843752 0.706182 Br\n0.673810 0.849542 0.394546 Br\n0.606638 0.843752 0.206182 Br\n0.151743 0.642869 0.795545 Br\n0.200195 0.646004 0.599924 Br\n0.848257 0.642869 0.295545 Br\n0.799805 0.646004 0.099924 Br\n0.753452 0.584092 0.510270 Br\n0.683086 0.502340 0.868039 Br\n0.694996 0.506105 0.750831 Br\n0.701959 0.517339 0.628772 Br\n0.246548 0.584092 0.010270 Br\n0.316914 0.502340 0.368039 Br\n0.305004 0.506105 0.250831 Br\n0.298041 0.517339 0.128772 Br\n0.762033 0.395074 0.989460 Br\n0.237967 0.395074 0.489460 Br\n0.156766 0.344855 0.900190 Br\n0.119425 0.329028 0.699170 Br\n0.843234 0.344855 0.400190 Br\n0.880575 0.329028 0.199170 Br\n0.387001 0.154004 0.797048 Br\n0.350272 0.132587 0.599307 Br\n0.612999 0.154004 0.297048 Br\n0.649728 0.132587 0.099307 Br\n0.758290 0.074203 0.509805 Br\n0.241710 0.074203 0.009805 Br\n",
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{
"id": "mp-1185250",
"created_at": "2022-09-04T14:43:47.474388Z",
"structure_string": "Er1 Mg149\n1.0\n13.825155 -7.981961 0.000000\n-0.000000 15.963920 0.000000\n0.000000 0.000000 15.603361\nEr Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Er\n0.599981 0.199963 0.000000 Mg\n0.401129 0.200564 0.000000 Mg\n0.799436 0.200564 0.000000 Mg\n0.201525 0.204155 0.000000 Mg\n0.002629 0.204155 0.000000 Mg\n0.000144 0.400095 0.000000 Mg\n0.399951 0.400095 0.000000 Mg\n0.599981 0.400019 0.000000 Mg\n0.800037 0.400019 0.000000 Mg\n0.201407 0.402814 0.000000 Mg\n0.799436 0.598871 0.000000 Mg\n0.399798 0.600202 0.000000 Mg\n0.200404 0.600202 0.000000 Mg\n0.599905 0.600048 0.000000 Mg\n0.000144 0.600049 0.000000 Mg\n0.201407 0.798593 0.000000 Mg\n0.597186 0.798593 0.000000 Mg\n0.002629 0.798475 0.000000 Mg\n0.795845 0.798475 0.000000 Mg\n0.399798 0.799596 0.000000 Mg\n0.795845 0.997371 0.000000 Mg\n0.201525 0.997371 0.000000 Mg\n0.399951 0.999857 0.000000 Mg\n0.599905 0.999857 0.000000 Mg\n0.264093 0.132047 0.164806 Mg\n0.867954 0.132047 0.164806 Mg\n0.867954 0.735907 0.164806 Mg\n0.666667 0.333333 0.166135 Mg\n0.667293 0.132961 0.166507 Mg\n0.465668 0.132961 0.166507 Mg\n0.867039 0.332707 0.166507 Mg\n0.465668 0.332707 0.166507 Mg\n0.867039 0.534332 0.166507 Mg\n0.667293 0.534332 0.166507 Mg\n0.466662 0.533338 0.167153 Mg\n0.066675 0.533338 0.167153 Mg\n0.466662 0.933325 0.167153 Mg\n0.267092 0.534183 0.167291 Mg\n0.267092 0.732908 0.167291 Mg\n0.465816 0.732908 0.167291 Mg\n0.067880 0.335396 0.167548 Mg\n0.267516 0.335396 0.167548 Mg\n0.664604 0.732484 0.167548 Mg\n0.067880 0.732484 0.167548 Mg\n0.664604 0.932119 0.167548 Mg\n0.267516 0.932119 0.167548 Mg\n0.067682 0.135363 0.169068 Mg\n0.067682 0.932318 0.169068 Mg\n0.864637 0.932319 0.169068 Mg\n0.800147 0.199854 0.332872 Mg\n0.399707 0.199854 0.332872 Mg\n0.800147 0.600294 0.332872 Mg\n0.599982 0.199966 0.332796 Mg\n0.599982 0.400017 0.332796 Mg\n0.800034 0.400018 0.332796 Mg\n0.200460 0.000015 0.333397 Mg\n0.799555 0.000015 0.333397 Mg\n0.200460 0.200445 0.333397 Mg\n0.999985 0.200445 0.333397 Mg\n0.999985 0.799540 0.333397 Mg\n0.799555 0.799540 0.333397 Mg\n0.599796 0.000173 0.333674 Mg\n0.400378 0.000173 0.333674 Mg\n0.999827 0.400204 0.333674 Mg\n0.400378 0.400205 0.333674 Mg\n0.999827 0.599622 0.333674 Mg\n0.599796 0.599623 0.333674 Mg\n0.400073 0.599926 0.333674 Mg\n0.199852 0.599927 0.333674 Mg\n0.400073 0.800148 0.333674 Mg\n0.200199 0.400398 0.334062 Mg\n0.200199 0.799801 0.334062 Mg\n0.599602 0.799801 0.334062 Mg\n0.000000 0.000000 0.334620 Mg\n0.266977 0.133489 0.500000 Mg\n0.866511 0.133489 0.500000 Mg\n0.066779 0.133559 0.500000 Mg\n0.667067 0.134069 0.500000 Mg\n0.467002 0.134070 0.500000 Mg\n0.865930 0.332932 0.500000 Mg\n0.467002 0.332932 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.066731 0.333476 0.500000 Mg\n0.266746 0.333477 0.500000 Mg\n0.667067 0.532998 0.500000 Mg\n0.865930 0.532998 0.500000 Mg\n0.466958 0.533043 0.500000 Mg\n0.066085 0.533043 0.500000 Mg\n0.266731 0.533463 0.500000 Mg\n0.866511 0.733023 0.500000 Mg\n0.666524 0.733253 0.500000 Mg\n0.066731 0.733254 0.500000 Mg\n0.266731 0.733269 0.500000 Mg\n0.466537 0.733269 0.500000 Mg\n0.066779 0.933221 0.500000 Mg\n0.866441 0.933221 0.500000 Mg\n0.266746 0.933269 0.500000 Mg\n0.666524 0.933269 0.500000 Mg\n0.466958 0.933915 0.500000 Mg\n0.000000 0.000000 0.665380 Mg\n0.200199 0.400398 0.665938 Mg\n0.200199 0.799801 0.665938 Mg\n0.599602 0.799801 0.665938 Mg\n0.400073 0.599926 0.666327 Mg\n0.199852 0.599927 0.666327 Mg\n0.400073 0.800148 0.666327 Mg\n0.599796 0.000173 0.666325 Mg\n0.400378 0.000173 0.666325 Mg\n0.999827 0.400204 0.666325 Mg\n0.400378 0.400205 0.666325 Mg\n0.999827 0.599622 0.666325 Mg\n0.599796 0.599623 0.666325 Mg\n0.200460 0.000015 0.666604 Mg\n0.799555 0.000015 0.666604 Mg\n0.200460 0.200445 0.666604 Mg\n0.999985 0.200445 0.666604 Mg\n0.999985 0.799540 0.666604 Mg\n0.799555 0.799540 0.666604 Mg\n0.599982 0.199966 0.667204 Mg\n0.599982 0.400017 0.667204 Mg\n0.800034 0.400018 0.667204 Mg\n0.800147 0.199854 0.667128 Mg\n0.399707 0.199854 0.667128 Mg\n0.800147 0.600294 0.667128 Mg\n0.067682 0.135363 0.830932 Mg\n0.067682 0.932318 0.830932 Mg\n0.864637 0.932319 0.830932 Mg\n0.067880 0.335396 0.832452 Mg\n0.267516 0.335396 0.832452 Mg\n0.664604 0.732484 0.832452 Mg\n0.067880 0.732484 0.832452 Mg\n0.664604 0.932119 0.832452 Mg\n0.267516 0.932119 0.832452 Mg\n0.267092 0.534183 0.832710 Mg\n0.267092 0.732908 0.832710 Mg\n0.465816 0.732908 0.832710 Mg\n0.466662 0.533338 0.832847 Mg\n0.066675 0.533338 0.832847 Mg\n0.466662 0.933325 0.832847 Mg\n0.667293 0.132961 0.833493 Mg\n0.465668 0.132961 0.833493 Mg\n0.867039 0.332707 0.833493 Mg\n0.465668 0.332707 0.833493 Mg\n0.867039 0.534332 0.833493 Mg\n0.667293 0.534332 0.833493 Mg\n0.666667 0.333333 0.833865 Mg\n0.264093 0.132047 0.835195 Mg\n0.867954 0.132047 0.835195 Mg\n0.867954 0.735907 0.835195 Mg\n",
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"elements": [
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{
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{
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}