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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12098",
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"results": [
{
"id": "mp-1218877",
"created_at": "2022-09-04T14:40:04.201712Z",
"structure_string": "Sr2 Ce1 Pr1 Cu3 Pb2 O10\n1.0\n-3.874119 0.000000 0.000000\n-0.001385 -3.902929 0.000000\n1.855265 1.638488 18.796144\nSr Ce Pr Cu Pb O\n2 1 1 3 2 10\ndirect\n0.121794 0.130151 0.236388 Sr\n0.878644 0.869514 0.764619 Sr\n0.784642 0.782593 0.570686 Ce\n0.215114 0.216802 0.429471 Pr\n0.666090 0.668387 0.330622 Cu\n0.332925 0.331245 0.666952 Cu\n0.999555 0.999105 0.999180 Cu\n0.554082 0.546585 0.093746 Pb\n0.446031 0.453401 0.905739 Pb\n0.171409 0.674949 0.341891 O\n0.327613 0.827140 0.655844 O\n0.827500 0.326954 0.655379 O\n0.671286 0.172223 0.340839 O\n0.252704 0.749864 0.505895 O\n0.752280 0.252041 0.506397 O\n0.608508 0.619125 0.209072 O\n0.390651 0.380155 0.789059 O\n0.063008 0.146944 0.095651 O\n0.936165 0.852823 0.902570 O\n",
"nsites": 19,
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"elements": [
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"Ce",
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],
"chemical_system": "Ce-Cu-O-Pb-Pr-Sr",
"density": 7.135715666400668,
"density_atomic": 0.06685305064697433,
"volume": 284.2054299112214,
"volume_molar": 9.008026861482577,
"formula_full": "Sr2 Ce1 Pr1 Cu3 Pb2 O10",
"formula_reduced": "Sr2CePrCu3(PbO5)2",
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"energy": -127.59301731,
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"band_gap": 0.4114000000000004,
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"updated_at": "2021-11-28T01:34:44.411000Z",
"spacegroup": 1
},
{
"id": "mp-779342",
"created_at": "2022-09-04T14:40:04.248282Z",
"structure_string": "Li12 Mn1 V7 P12 O48\n1.0\n8.734675 0.000000 0.000000\n0.051255 8.748458 0.000000\n0.180003 0.035503 12.166484\nLi Mn V P O\n12 1 7 12 48\ndirect\n0.073177 0.081261 0.302546 Li\n0.080695 0.697654 0.236562 Li\n0.206845 0.783660 0.825514 Li\n0.292037 0.281714 0.674164 Li\n0.416394 0.197756 0.262063 Li\n0.427174 0.580650 0.197434 Li\n0.574259 0.417794 0.803506 Li\n0.583998 0.802561 0.737366 Li\n0.708983 0.717653 0.324272 Li\n0.791985 0.218427 0.173387 Li\n0.916234 0.302563 0.763121 Li\n0.926596 0.919246 0.697514 Li\n0.752993 0.538961 0.108375 Mn\n0.246941 0.530151 0.390042 V\n0.253343 0.029278 0.109776 V\n0.246927 0.462113 0.890943 V\n0.252884 0.962036 0.610471 V\n0.747304 0.037920 0.389718 V\n0.746626 0.969672 0.891031 V\n0.753197 0.470092 0.609397 V\n0.036374 0.247917 0.506954 P\n0.103417 0.382809 0.148722 P\n0.105144 0.104802 0.851244 P\n0.394137 0.604776 0.648630 P\n0.397352 0.882613 0.351993 P\n0.462913 0.747677 0.991944 P\n0.535582 0.248631 0.006982 P\n0.602723 0.117228 0.648066 P\n0.605851 0.395715 0.350756 P\n0.895668 0.897313 0.150155 P\n0.896544 0.616816 0.852229 P\n0.964320 0.752491 0.493174 P\n0.049352 0.867080 0.566131 O\n0.074368 0.888707 0.147888 O\n0.069981 0.681763 0.403036 O\n0.070513 0.594582 0.830664 O\n0.108025 0.365649 0.428244 O\n0.143584 0.215354 0.181942 O\n0.145859 0.411712 0.027930 O\n0.144956 0.982729 0.760755 O\n0.159589 0.265813 0.812630 O\n0.169412 0.168612 0.568555 O\n0.172932 0.050969 0.957533 O\n0.194379 0.501079 0.218472 O\n0.305181 0.001090 0.281462 O\n0.326906 0.551812 0.541927 O\n0.329845 0.669415 0.930759 O\n0.339090 0.765850 0.686544 O\n0.355398 0.910666 0.472674 O\n0.358484 0.714804 0.318640 O\n0.354444 0.482650 0.739340 O\n0.392402 0.865294 0.070842 O\n0.427570 0.178754 0.096234 O\n0.427413 0.386440 0.351972 O\n0.429393 0.095386 0.669082 O\n0.450019 0.366271 0.934264 O\n0.546923 0.631225 0.066172 O\n0.570566 0.903994 0.330505 O\n0.572742 0.614692 0.647415 O\n0.569332 0.817706 0.902379 O\n0.603782 0.131469 0.925288 O\n0.645516 0.519062 0.260238 O\n0.641158 0.285182 0.681402 O\n0.644696 0.088701 0.527473 O\n0.659976 0.234420 0.313507 O\n0.668252 0.322786 0.067740 O\n0.672900 0.448039 0.458034 O\n0.695042 0.999029 0.718722 O\n0.804958 0.499340 0.782029 O\n0.827381 0.948885 0.042302 O\n0.830775 0.832261 0.431933 O\n0.843866 0.738731 0.191530 O\n0.856274 0.021703 0.239205 O\n0.859856 0.591761 0.974594 O\n0.857872 0.784658 0.817564 O\n0.892546 0.634720 0.572157 O\n0.929395 0.403152 0.170308 O\n0.930149 0.318735 0.597343 O\n0.926440 0.114347 0.852202 O\n0.951889 0.132979 0.434387 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.91933901085235,
"density_atomic": 0.08604916018772792,
"volume": 929.7011130087632,
"volume_molar": 6.998488709084298,
"formula_full": "Li12 Mn1 V7 P12 O48",
"formula_reduced": "Li12MnV7(PO4)12",
"formula_anonymous": "AB7C12D12E48",
"energy": -614.48036731,
"energy_per_atom": -7.681004591375,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -567.93636731,
"band_gap": 0.1814,
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"is_magnetic": true,
"total_magnetization": 18.0001197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.795000Z",
"spacegroup": 1
},
{
"id": "mp-1176144",
"created_at": "2022-09-04T14:40:04.306448Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.026042 0.000000 0.000000\n-0.094686 5.068118 0.000000\n-0.686893 -0.705483 19.117371\nLi Mn Co O\n9 2 5 16\ndirect\n0.006645 0.620760 0.874679 Li\n0.499899 0.750209 0.749797 Li\n0.992243 0.878640 0.624958 Li\n0.495933 0.001577 0.500645 Li\n0.999427 0.125185 0.375510 Li\n0.499267 0.249592 0.250059 Li\n0.000171 0.375351 0.124579 Li\n0.503943 0.497884 0.999539 Li\n0.000075 0.249659 0.749713 Li\n0.995510 0.003157 0.998416 Mn\n0.500598 0.624850 0.375975 Mn\n0.511327 0.126551 0.868617 Co\n0.498741 0.375247 0.630865 Co\n0.995537 0.493184 0.502609 Co\n0.003229 0.752086 0.249314 Co\n0.494179 0.873785 0.124681 Co\n0.526718 0.844140 0.934555 O\n0.035960 0.948338 0.816990 O\n0.500606 0.093937 0.680026 O\n0.036500 0.208156 0.563411 O\n0.486254 0.330484 0.438913 O\n0.039762 0.456592 0.311187 O\n0.491808 0.584965 0.186729 O\n0.980956 0.709370 0.061739 O\n0.500137 0.406886 0.819487 O\n0.972002 0.552078 0.682961 O\n0.508834 0.653406 0.564602 O\n0.961436 0.792381 0.440856 O\n0.518109 0.916457 0.311708 O\n0.005379 0.041068 0.187275 O\n0.462210 0.170425 0.063400 O\n0.976612 0.293604 0.936203 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.094854142859388,
"density_atomic": 0.10914406896142166,
"volume": 293.19046196922346,
"volume_molar": 5.5176069733377835,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.43012648,
"energy_per_atom": -6.4821914525,
"energy_above_hull": null,
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"energy_uncorrected": -184.91212648,
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"is_magnetic": true,
"total_magnetization": 13.9999633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.881000Z",
"spacegroup": 1
},
{
"id": "mp-1100447",
"created_at": "2022-09-04T14:40:04.348787Z",
"structure_string": "Mg8 Si14\n1.0\n4.024773 0.000000 0.000000\n0.157018 6.917569 0.000000\n0.180529 0.163049 14.028109\nMg Si\n8 14\ndirect\n0.635742 0.103027 0.076009 Mg\n0.595699 0.373943 0.497697 Mg\n0.094474 0.204239 0.651019 Mg\n0.104524 0.561894 0.340257 Mg\n0.625807 0.567839 0.150832 Mg\n0.653216 0.497677 0.909928 Mg\n0.078298 0.680206 0.584658 Mg\n0.103928 0.057692 0.420334 Mg\n0.144254 0.386681 0.036106 Si\n0.119355 0.746770 0.020547 Si\n0.604834 0.876583 0.927096 Si\n0.110500 0.144244 0.902043 Si\n0.591751 0.748740 0.441573 Si\n0.597333 0.993672 0.559258 Si\n0.604717 0.194767 0.796925 Si\n0.121230 0.882422 0.182540 Si\n0.610936 0.255649 0.303388 Si\n0.167568 0.713299 0.790887 Si\n0.551623 0.487972 0.696960 Si\n0.118660 0.253404 0.197840 Si\n0.614841 0.894517 0.285241 Si\n0.657939 0.878384 0.725324 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4984128677589155,
"density_atomic": 0.0563285612328116,
"volume": 390.56562991324756,
"volume_molar": 10.691096360707471,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
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"energy": -84.89649397,
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"updated_at": "2021-11-28T01:35:02.454000Z",
"spacegroup": 1
},
{
"id": "mp-799788",
"created_at": "2022-09-04T14:40:04.350561Z",
"structure_string": "Li8 Ni4 O8 F4\n1.0\n5.020478 0.000000 0.000000\n-1.626925 4.749965 0.000000\n-1.591258 -2.438798 8.688913\nLi Ni O F\n8 4 8 4\ndirect\n0.498350 0.984402 0.005335 Li\n0.257617 0.245719 0.167934 Li\n0.991789 0.504137 0.330262 Li\n0.718685 0.732218 0.504554 Li\n0.247943 0.235656 0.505163 Li\n0.496871 0.992470 0.667073 Li\n0.752921 0.768112 0.828776 Li\n0.003211 0.516866 0.004904 Li\n0.761334 0.762877 0.165682 Ni\n0.519143 0.003287 0.327719 Ni\n0.990711 0.492035 0.665736 Ni\n0.263759 0.247818 0.827803 Ni\n0.528584 0.995199 0.175568 O\n0.970173 0.512982 0.174117 O\n0.730985 0.748894 0.325508 O\n0.450695 0.954591 0.499580 O\n0.214653 0.256877 0.674243 O\n0.728987 0.695403 0.675278 O\n0.524540 0.042803 0.825538 O\n0.797166 0.800714 0.999912 O\n0.229530 0.224210 0.335079 F\n0.971524 0.467896 0.498893 F\n0.021722 0.514565 0.835136 F\n0.287288 0.281979 0.999047 F\n",
"nsites": 24,
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"elements": [
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],
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"volume": 207.2053318745869,
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"formula_full": "Li8 Ni4 O8 F4",
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"energy": -101.3969016,
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"updated_at": "2021-11-28T01:34:46.468000Z",
"spacegroup": 1
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{
"id": "mp-1260352",
"created_at": "2022-09-04T14:40:04.407535Z",
"structure_string": "Al10 Ni6 O24\n1.0\n5.680744 0.000000 0.000000\n-2.837501 -4.940113 0.000000\n-0.430724 0.021594 -14.073370\nAl Ni O\n10 6 24\ndirect\n0.161139 0.828859 0.833783 Al\n0.500750 0.999469 0.999245 Al\n0.516914 0.008439 0.623265 Al\n0.660089 0.332371 0.833932 Al\n0.844444 0.672694 0.293537 Al\n0.998534 0.999442 0.499820 Al\n0.156442 0.327132 0.702231 Al\n0.833736 0.168750 0.167973 Al\n0.342491 0.672397 0.168421 Al\n0.483725 0.989483 0.377168 Al\n0.174098 0.327859 0.964738 Ni\n0.831525 0.664551 0.663207 Ni\n0.660768 0.829022 0.830145 Ni\n0.169171 0.334109 0.336419 Ni\n0.999018 0.499644 0.498896 Ni\n0.341666 0.168599 0.167042 Ni\n0.335288 0.698971 0.914625 O\n0.494870 0.997880 0.754409 O\n0.797726 0.159748 0.913675 O\n0.347837 0.146084 0.905512 O\n0.990054 0.503088 0.751423 O\n0.697757 0.355801 0.585273 O\n0.498631 0.486389 0.750572 O\n0.830537 0.666555 0.894094 O\n0.175407 0.856717 0.578669 O\n0.859140 0.681722 0.420178 O\n0.998707 0.980264 0.748169 O\n0.697707 0.846437 0.584856 O\n0.010956 0.020868 0.248300 O\n0.302023 0.152853 0.415132 O\n0.825930 0.144700 0.421432 O\n0.150399 0.352744 0.101656 O\n0.142630 0.320785 0.576719 O\n0.500429 0.505609 0.246792 O\n0.012107 0.494435 0.249581 O\n0.301690 0.642954 0.415162 O\n0.644692 0.859910 0.092629 O\n0.212479 0.860143 0.090552 O\n0.516000 0.990162 0.250183 O\n0.643015 0.291480 0.089617 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 4.229511408581425,
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"volume": 394.94826224014037,
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"formula_full": "Al10 Ni6 O24",
"formula_reduced": "Al5(NiO4)3",
"formula_anonymous": "A3B5C12",
"energy": -286.21805444,
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"updated_at": "2021-11-28T01:34:46.056000Z",
"spacegroup": 1
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{
"id": "mp-753055",
"created_at": "2022-09-04T14:40:07.727926Z",
"structure_string": "Tb1 Bi5 O9\n1.0\n3.888421 0.000000 0.000000\n0.165402 6.883255 0.000000\n1.918417 0.939461 9.332225\nTb Bi O\n1 5 9\ndirect\n0.020707 0.988477 0.021762 Tb\n0.151689 0.408224 0.659690 Bi\n0.528535 0.457315 0.997292 Bi\n0.332229 0.112869 0.350894 Bi\n0.858894 0.609707 0.321931 Bi\n0.660163 0.871140 0.661147 Bi\n0.849915 0.210850 0.523401 O\n0.188104 0.745362 0.567343 O\n0.365939 0.445478 0.290385 O\n0.474617 0.146579 0.107855 O\n0.059225 0.303599 0.896220 O\n0.591041 0.909343 0.887225 O\n0.638652 0.543892 0.739775 O\n0.929224 0.936196 0.275966 O\n0.955310 0.645184 0.091424 O\n",
"nsites": 15,
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"elements": [
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],
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"volume": 249.77693950908318,
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"formula_full": "Tb1 Bi5 O9",
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"energy": -98.13562366,
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"spacegroup": 1
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{
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{
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{
"id": "mp-777004",
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"structure_string": "Li9 Fe7 P12 O48\n1.0\n8.681592 0.000000 0.000000\n-0.002147 8.817460 0.000000\n-0.022210 -0.024670 12.250344\nLi Fe P O\n9 7 12 48\ndirect\n0.782777 0.722263 0.818119 Li\n0.783426 0.778721 0.181507 Li\n0.716817 0.221357 0.682402 Li\n0.715601 0.278835 0.318567 Li\n0.283345 0.721422 0.680687 Li\n0.281238 0.768698 0.318339 Li\n0.251692 0.462104 0.383562 Li\n0.215645 0.221910 0.819207 Li\n0.217161 0.279236 0.186310 Li\n0.750482 0.961906 0.386426 Fe\n0.752066 0.541285 0.613309 Fe\n0.748973 0.040858 0.887065 Fe\n0.748969 0.458806 0.112037 Fe\n0.250997 0.540679 0.886232 Fe\n0.251014 0.958851 0.114053 Fe\n0.249459 0.040282 0.613219 Fe\n0.894318 0.393142 0.852809 P\n0.894658 0.107619 0.147581 P\n0.607564 0.610593 0.353567 P\n0.605999 0.892942 0.646214 P\n0.394856 0.100462 0.351849 P\n0.393867 0.392405 0.649340 P\n0.104938 0.608410 0.143623 P\n0.106256 0.892960 0.852993 P\n0.959335 0.247810 0.501818 P\n0.539613 0.749990 0.999561 P\n0.460231 0.249761 0.000580 P\n0.036543 0.752557 0.501547 P\n0.940942 0.646168 0.572729 O\n0.941282 0.859780 0.428448 O\n0.927727 0.895571 0.844351 O\n0.926470 0.605106 0.153673 O\n0.852423 0.160634 0.419278 O\n0.851866 0.336977 0.579591 O\n0.843707 0.434492 0.969029 O\n0.843624 0.065390 0.031626 O\n0.837588 0.232594 0.820131 O\n0.837414 0.267898 0.180265 O\n0.825549 0.513548 0.773908 O\n0.825589 0.986105 0.227632 O\n0.674237 0.012982 0.725524 O\n0.676949 0.489848 0.274475 O\n0.670379 0.771203 0.321612 O\n0.661399 0.732215 0.679182 O\n0.656769 0.567342 0.469902 O\n0.656669 0.934971 0.529175 O\n0.647531 0.837381 0.920603 O\n0.647267 0.662763 0.079284 O\n0.575030 0.100460 0.344641 O\n0.572187 0.395972 0.656705 O\n0.556224 0.142844 0.929224 O\n0.556544 0.357032 0.071507 O\n0.443838 0.642380 0.928455 O\n0.443524 0.857203 0.070452 O\n0.432394 0.610932 0.343198 O\n0.427704 0.895538 0.654604 O\n0.352191 0.337110 0.921184 O\n0.352487 0.162813 0.079905 O\n0.343215 0.063020 0.468724 O\n0.342869 0.435887 0.533079 O\n0.338393 0.231811 0.680686 O\n0.341063 0.259785 0.320074 O\n0.324865 0.512508 0.728061 O\n0.327495 0.977710 0.274163 O\n0.174162 0.013369 0.774078 O\n0.172756 0.487209 0.219684 O\n0.162670 0.732838 0.819463 O\n0.159921 0.768376 0.177439 O\n0.153612 0.570521 0.026405 O\n0.157340 0.934956 0.968984 O\n0.142692 0.667433 0.421359 O\n0.144819 0.839149 0.581259 O\n0.072817 0.104661 0.156368 O\n0.072441 0.395377 0.843507 O\n0.055492 0.141164 0.572868 O\n0.058031 0.353106 0.430987 O\n",
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{
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{
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"structure_string": "Li4 V6 Sn2 O16\n1.0\n0.014962 -3.494907 4.951546\n6.038914 -0.024193 0.001531\n-0.026887 6.987926 4.950661\nLi V Sn O\n4 6 2 16\ndirect\n0.997811 0.246124 0.121524 Li\n0.502529 0.740264 0.622833 Li\n0.998957 0.994861 0.501509 Li\n0.501482 0.502025 0.996702 Li\n0.996747 0.512957 0.495548 V\n0.496207 0.021877 0.991455 V\n0.263379 0.251636 0.754263 V\n0.227962 0.755203 0.259104 V\n0.741046 0.253205 0.755398 V\n0.754886 0.749683 0.256801 V\n0.999527 0.763512 0.882257 Sn\n0.497454 0.264588 0.380847 Sn\n0.009974 0.520419 0.253679 O\n0.503787 0.008248 0.766035 O\n0.001940 0.490710 0.746168 O\n0.491916 0.990488 0.241605 O\n0.240472 0.731804 0.475696 O\n0.731413 0.224606 0.986765 O\n0.766676 0.737383 0.482104 O\n0.271732 0.220705 0.990589 O\n0.011728 0.963971 0.245581 O\n0.499099 0.465956 0.752201 O\n0.003518 0.027670 0.744932 O\n0.494674 0.530024 0.241989 O\n0.228668 0.255522 0.514027 O\n0.726335 0.762964 0.014438 O\n0.769651 0.256224 0.510598 O\n0.270431 0.757371 0.015355 O\n",
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]
}