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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11508",
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"results": [
{
"id": "mp-677056",
"created_at": "2022-09-04T14:46:27.488437Z",
"structure_string": "Na6 U3 I18\n1.0\n-7.960523 0.000000 0.000000\n3.972415 7.808190 0.000000\n-0.026366 -1.761777 -19.732120\nNa U I\n6 3 18\ndirect\n0.666819 0.329596 0.835933 Na\n0.756482 0.509840 0.560652 Na\n0.915906 0.829206 0.772827 Na\n0.087562 0.175142 0.227037 Na\n0.245458 0.490810 0.438913 Na\n0.575650 0.154719 0.104017 Na\n0.002684 0.997341 0.999686 U\n0.328177 0.667306 0.667402 U\n0.666671 0.333188 0.333248 U\n0.635214 0.988469 0.746091 I\n0.797472 0.206600 0.967273 I\n0.227574 0.117122 0.872511 I\n0.105284 0.557984 0.794579 I\n0.545573 0.460920 0.701188 I\n0.963585 0.651791 0.413963 I\n0.702468 0.684123 0.917196 I\n0.121636 0.873204 0.632140 I\n0.561104 0.775822 0.540712 I\n0.438689 0.221443 0.459330 I\n0.874581 0.129657 0.367406 I\n0.297235 0.318698 0.080996 I\n0.034195 0.345908 0.584926 I\n0.459041 0.537104 0.299386 I\n0.894450 0.445428 0.207563 I\n0.770743 0.889729 0.126068 I\n0.209261 0.800759 0.032474 I\n0.369820 0.014760 0.253148 I\n",
"nsites": 27,
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"elements": [
"Na",
"U",
"I"
],
"chemical_system": "I-Na-U",
"density": 4.246213017302175,
"density_atomic": 0.0220139533632508,
"volume": 1226.4948305501866,
"volume_molar": 27.356016707353973,
"formula_full": "Na6 U3 I18",
"formula_reduced": "Na2UI6",
"formula_anonymous": "AB2C6",
"energy": -103.63469536,
"energy_per_atom": -3.8383220503703703,
"energy_above_hull": null,
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"energy_uncorrected": -96.81269536,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.145000Z",
"spacegroup": 1
},
{
"id": "mp-768430",
"created_at": "2022-09-04T14:46:27.482581Z",
"structure_string": "Li24 Ti7 Cr5 O36\n1.0\n5.063406 0.000000 0.000000\n2.525902 4.393034 0.000000\n0.049385 0.030095 28.978276\nLi Ti Cr O\n24 7 5 36\ndirect\n0.835990 0.493655 0.666678 Li\n0.833234 0.500190 0.916735 Li\n0.501851 0.822165 0.833054 Li\n0.169356 0.500478 0.333335 Li\n0.163337 0.501866 0.583367 Li\n0.166109 0.497043 0.833216 Li\n0.835006 0.825124 0.499803 Li\n0.500612 0.496410 0.000202 Li\n0.497503 0.498600 0.249983 Li\n0.505627 0.493618 0.499851 Li\n0.157332 0.176767 0.999993 Li\n0.164669 0.819638 0.166461 Li\n0.833390 0.499988 0.166657 Li\n0.170734 0.827478 0.666845 Li\n0.494444 0.175966 0.666496 Li\n0.512146 0.823905 0.333677 Li\n0.817560 0.177099 0.333041 Li\n0.832360 0.180730 0.833289 Li\n0.842813 0.825276 0.000487 Li\n0.502105 0.501986 0.749988 Li\n0.160560 0.179319 0.500012 Li\n0.829975 0.501769 0.416666 Li\n0.501944 0.180388 0.166842 Li\n0.168942 0.501558 0.083358 Li\n0.830663 0.831956 0.749843 Ti\n0.170924 0.832051 0.416749 Ti\n0.501109 0.164588 0.916645 Ti\n0.497045 0.832446 0.083208 Ti\n0.169442 0.167388 0.250145 Ti\n0.166302 0.833798 0.916698 Ti\n0.504702 0.830612 0.583495 Ti\n0.168897 0.167285 0.750092 Cr\n0.497381 0.167485 0.416556 Cr\n0.835396 0.167590 0.083539 Cr\n0.831519 0.166233 0.583153 Cr\n0.831440 0.832263 0.249846 Cr\n0.853166 0.504150 0.788802 O\n0.146215 0.490551 0.711848 O\n0.196472 0.490843 0.454787 O\n0.478475 0.855006 0.954651 O\n0.503370 0.852994 0.711751 O\n0.476089 0.504780 0.377825 O\n0.188413 0.144784 0.878806 O\n0.520348 0.503806 0.122288 O\n0.809997 0.852305 0.621585 O\n0.827709 0.860584 0.379480 O\n0.832861 0.856156 0.878653 O\n0.489731 0.147302 0.787313 O\n0.812852 0.490691 0.045342 O\n0.529307 0.147705 0.546004 O\n0.139044 0.855994 0.287268 O\n0.144606 0.860680 0.787185 O\n0.170481 0.852897 0.045252 O\n0.160586 0.861104 0.546033 O\n0.827958 0.144969 0.453718 O\n0.833569 0.144771 0.954527 O\n0.855528 0.139211 0.212786 O\n0.860353 0.145088 0.712890 O\n0.475669 0.854185 0.454955 O\n0.189191 0.499572 0.955257 O\n0.510249 0.853440 0.212486 O\n0.156314 0.146624 0.120883 O\n0.161716 0.144333 0.620390 O\n0.195944 0.147796 0.379243 O\n0.476823 0.500549 0.878067 O\n0.811373 0.860709 0.120540 O\n0.530002 0.489692 0.621457 O\n0.496574 0.147031 0.288068 O\n0.526865 0.144926 0.046262 O\n0.809274 0.504315 0.544414 O\n0.854229 0.509502 0.288093 O\n0.146226 0.496245 0.211093 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.4458737392569816,
"density_atomic": 0.11169986173447133,
"volume": 644.5845042418733,
"volume_molar": 5.391359189249138,
"formula_full": "Li24 Ti7 Cr5 O36",
"formula_reduced": "Li24Ti7Cr5O36",
"formula_anonymous": "A5B7C24D36",
"energy": -519.30835652,
"energy_per_atom": -7.212616062777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -484.58135652,
"band_gap": 1.3141000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0021127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.460000Z",
"spacegroup": 1
},
{
"id": "mp-1074356",
"created_at": "2022-09-04T14:46:27.636930Z",
"structure_string": "Mg8 Si6\n1.0\n5.678876 0.000000 0.000000\n-1.128887 6.226271 0.000000\n-2.290761 -2.758379 7.691507\nMg Si\n8 6\ndirect\n0.108641 0.275573 0.785038 Mg\n0.636796 0.103398 0.048178 Mg\n0.623969 0.439495 0.511950 Mg\n0.080929 0.451836 0.417198 Mg\n0.555668 0.623584 0.143114 Mg\n0.530492 0.943198 0.624508 Mg\n0.162382 0.943144 0.300913 Mg\n0.018562 0.794364 0.882846 Mg\n0.429146 0.650034 0.785914 Si\n0.655668 0.372137 0.829437 Si\n0.242398 0.246944 0.143198 Si\n0.975639 0.850490 0.554753 Si\n0.003297 0.513855 0.093897 Si\n0.726583 0.042078 0.379154 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.216142297981173,
"density_atomic": 0.051478536378380596,
"volume": 271.958003955209,
"volume_molar": 11.698352718763608,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -45.27740491,
"energy_per_atom": -3.234100350714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -45.70340491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.064000Z",
"spacegroup": 1
},
{
"id": "mp-685952",
"created_at": "2022-09-04T14:46:27.721354Z",
"structure_string": "Al8 Hg20 Se32\n1.0\n7.418898 -0.054707 4.390371\n2.519849 6.819823 4.216193\n0.567630 -0.440164 34.129986\nAl Hg Se\n8 20 32\ndirect\n0.117769 0.631223 0.159526 Al\n0.635673 0.128561 0.026196 Al\n0.124661 0.631479 0.405761 Al\n0.629202 0.120729 0.280330 Al\n0.110620 0.126286 0.655532 Al\n0.609786 0.121851 0.533286 Al\n0.121723 0.132116 0.901393 Al\n0.615719 0.130504 0.778926 Al\n0.107030 0.109799 0.159774 Hg\n0.102657 0.641097 0.027454 Hg\n0.647116 0.105506 0.160669 Hg\n0.097381 0.103840 0.414471 Hg\n0.103357 0.644232 0.276388 Hg\n0.650700 0.643579 0.028929 Hg\n0.626083 0.624854 0.156107 Hg\n0.647475 0.104509 0.410921 Hg\n0.102436 0.632133 0.526084 Hg\n0.647301 0.644324 0.276135 Hg\n0.106656 0.647113 0.664911 Hg\n0.625540 0.622840 0.406710 Hg\n0.649881 0.124906 0.662132 Hg\n0.104491 0.628449 0.776222 Hg\n0.664739 0.645073 0.523093 Hg\n0.099139 0.643874 0.919499 Hg\n0.626868 0.601763 0.656652 Hg\n0.651075 0.124956 0.912346 Hg\n0.666875 0.644769 0.775988 Hg\n0.627261 0.601673 0.906788 Hg\n0.992910 0.034790 0.991158 Se\n0.015077 0.430339 0.009912 Se\n0.030195 0.977649 0.117779 Se\n0.975557 0.028757 0.255469 Se\n0.017259 0.510881 0.126467 Se\n0.472900 0.023979 0.007573 Se\n0.517656 0.018198 0.115644 Se\n0.504494 0.484861 0.004175 Se\n0.029872 0.980692 0.367986 Se\n0.025782 0.467430 0.245568 Se\n0.471582 0.504739 0.128421 Se\n0.957306 0.016246 0.510998 Se\n0.017318 0.504357 0.375826 Se\n0.474784 0.027024 0.256612 Se\n0.501802 0.016556 0.370044 Se\n0.503259 0.480411 0.253851 Se\n0.037349 0.459864 0.491097 Se\n0.030435 0.019544 0.616229 Se\n0.480400 0.505065 0.375446 Se\n0.975695 0.025091 0.745928 Se\n0.014935 0.479445 0.625883 Se\n0.469536 0.023255 0.506818 Se\n0.500019 0.480338 0.504486 Se\n0.473395 0.015626 0.624931 Se\n0.026494 0.423744 0.754145 Se\n0.032055 0.014502 0.866473 Se\n0.498898 0.501205 0.620207 Se\n0.015831 0.486924 0.875698 Se\n0.468840 0.020223 0.757161 Se\n0.487287 0.018548 0.870523 Se\n0.501843 0.485414 0.754198 Se\n0.488700 0.500945 0.873249 Se\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Al",
"Hg",
"Se"
],
"chemical_system": "Al-Hg-Se",
"density": 6.508373341628565,
"density_atomic": 0.03481686108217527,
"volume": 1723.3029668696186,
"volume_molar": 17.2966217310241,
"formula_full": "Al8 Hg20 Se32",
"formula_reduced": "Al2Hg5Se8",
"formula_anonymous": "A2B5C8",
"energy": -187.40962848,
"energy_per_atom": -3.123493808,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -172.30562848,
"band_gap": 0.2296,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.907000Z",
"spacegroup": 1
},
{
"id": "mp-1075196",
"created_at": "2022-09-04T14:46:27.744879Z",
"structure_string": "Mg6 Si8\n1.0\n6.432573 0.000000 0.000000\n-1.612141 6.550036 0.000000\n-2.027904 -2.690740 5.954018\nMg Si\n6 8\ndirect\n0.134466 0.115441 0.477824 Mg\n0.463224 0.898143 0.408624 Mg\n0.909886 0.067163 0.782602 Mg\n0.292393 0.536410 0.923882 Mg\n0.690539 0.988000 0.090049 Mg\n0.400380 0.287243 0.205400 Mg\n0.965767 0.478661 0.139056 Si\n0.657366 0.563391 0.726699 Si\n0.250487 0.894305 0.777166 Si\n0.052885 0.828234 0.047441 Si\n0.252770 0.553110 0.513192 Si\n0.848196 0.360317 0.512528 Si\n0.563398 0.234322 0.828669 Si\n0.764789 0.695416 0.320636 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4525347315593917,
"density_atomic": 0.055807103451639875,
"volume": 250.86412184305212,
"volume_molar": 10.790993238376075,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -49.82029503,
"energy_per_atom": -3.558592502142857,
"energy_above_hull": null,
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"energy_uncorrected": -50.38829503,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 6.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.265000Z",
"spacegroup": 1
},
{
"id": "mp-799684",
"created_at": "2022-09-04T14:46:27.762145Z",
"structure_string": "Li4 Fe3 O1 F8\n1.0\n2.933867 0.000000 0.000000\n-1.462124 -4.929534 0.000000\n0.027026 2.542141 -11.383161\nLi Fe O F\n4 3 1 8\ndirect\n0.132385 0.154468 0.560529 Li\n0.229952 0.711548 0.876675 Li\n0.856859 0.813189 0.447962 Li\n0.008733 0.031157 0.992259 Li\n0.575145 0.625269 0.270165 Fe\n0.761885 0.286961 0.123043 Fe\n0.432696 0.461443 0.702876 Fe\n0.128303 0.946004 0.161084 O\n0.633815 0.374269 0.948128 F\n0.091762 0.737424 0.724814 F\n0.182390 0.576153 0.402788 F\n0.788107 0.371103 0.605775 F\n0.880109 0.086497 0.830067 F\n0.909687 0.259591 0.287324 F\n0.373744 0.669986 0.041708 F\n0.487401 0.927275 0.525509 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.664275717259947,
"density_atomic": 0.09718759061372637,
"volume": 164.63007158591117,
"volume_molar": 6.19640915262021,
"formula_full": "Li4 Fe3 O1 F8",
"formula_reduced": "Li4Fe3OF8",
"formula_anonymous": "AB3C4D8",
"energy": -72.13393296,
"energy_per_atom": -4.50837081,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -60.98293296,
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"is_magnetic": true,
"total_magnetization": 12.4362835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.045000Z",
"spacegroup": 1
},
{
"id": "mp-1340817",
"created_at": "2022-09-04T14:46:27.952542Z",
"structure_string": "Li4 Mn3 Cr2 O10\n1.0\n5.124475 0.000000 0.000000\n-0.974172 5.135290 0.000000\n-1.579446 -2.855395 7.082550\nLi Mn Cr O\n4 3 2 10\ndirect\n0.220324 0.511973 0.441742 Li\n0.503149 0.979719 0.509527 Li\n0.609454 0.494890 0.228352 Li\n0.793182 0.491148 0.591206 Li\n0.999735 0.502416 0.995854 Mn\n0.693582 0.994057 0.893793 Mn\n0.304380 0.006955 0.102103 Mn\n0.106216 0.006799 0.690028 Cr\n0.896232 0.998717 0.304782 Cr\n0.033204 0.211688 0.856833 O\n0.344623 0.784941 0.953684 O\n0.118776 0.777578 0.540771 O\n0.231524 0.245868 0.221508 O\n0.469547 0.205625 0.664778 O\n0.537528 0.782306 0.331931 O\n0.778187 0.765590 0.772023 O\n0.873948 0.235853 0.450266 O\n0.674575 0.228916 0.044499 O\n0.924586 0.770860 0.136850 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.067682795515004,
"density_atomic": 0.10194116652402403,
"volume": 186.38201472338804,
"volume_molar": 5.9074669884033435,
"formula_full": "Li4 Mn3 Cr2 O10",
"formula_reduced": "Li4Mn3Cr2O10",
"formula_anonymous": "A2B3C4D10",
"energy": -106.60775108,
"energy_per_atom": -5.610934267368421,
"energy_above_hull": null,
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"energy_uncorrected": -90.73575108,
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"updated_at": "2021-11-28T01:37:37.239000Z",
"spacegroup": 1
},
{
"id": "mp-1220239",
"created_at": "2022-09-04T14:46:27.817847Z",
"structure_string": "Rb3 Ag1 Ge4 Se10 O2\n1.0\n-9.150089 0.104862 0.057028\n-0.103724 9.128763 -0.083456\n-4.576891 4.684752 -7.945510\nRb Ag Ge Se O\n3 1 4 10 2\ndirect\n0.295111 0.654032 0.223267 Rb\n0.828960 0.724989 0.791808 Rb\n0.376885 0.512828 0.780115 Rb\n0.013810 0.979647 0.014061 Ag\n0.948970 0.168041 0.308952 Ge\n0.735803 0.532021 0.319145 Ge\n0.499066 0.065309 0.659364 Ge\n0.855374 0.274829 0.650822 Ge\n0.154781 0.091294 0.134552 Se\n0.709639 0.797504 0.150632 Se\n0.248135 0.858133 0.841518 Se\n0.951399 0.309262 0.825592 Se\n0.059038 0.176899 0.482084 Se\n0.460758 0.343119 0.496614 Se\n0.683016 0.966828 0.479775 Se\n0.842660 0.562049 0.485074 Se\n0.934593 0.449927 0.132078 Se\n0.585980 0.082450 0.843285 Se\n0.104846 0.496200 0.680358 O\n0.478978 0.654438 0.924305 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Rb",
"Ag",
"Ge",
"Se",
"O"
],
"chemical_system": "Ag-Ge-O-Rb-Se",
"density": 3.7011279738516807,
"density_atomic": 0.030192704833239586,
"volume": 662.4116689930248,
"volume_molar": 19.945681558712618,
"formula_full": "Rb3 Ag1 Ge4 Se10 O2",
"formula_reduced": "Rb3AgGe4(Se5O)2",
"formula_anonymous": "AB2C3D4E10",
"energy": -84.80077836,
"energy_per_atom": -4.240038918,
"energy_above_hull": null,
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"energy_uncorrected": -78.70677836,
"band_gap": 0.0115,
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"updated_at": "2021-11-28T01:37:34.316000Z",
"spacegroup": 1
},
{
"id": "mp-1175888",
"created_at": "2022-09-04T14:46:27.845595Z",
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{
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{
"id": "mp-1223512",
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"structure_string": "K1 Mg3 Al1 Si3 O10 F2\n1.0\n5.364575 0.000000 0.000000\n-2.679138 -4.647021 0.000000\n-1.787886 0.044483 -10.212899\nK Mg Al Si O F\n1 3 1 3 10 2\ndirect\n0.489568 0.000869 0.968002 K\n0.331856 0.658919 0.505582 Mg\n0.673566 0.337196 0.504835 Mg\n0.995858 0.000544 0.504865 Mg\n0.091229 0.333506 0.773395 Al\n0.759179 0.666442 0.777517 Si\n0.910649 0.668874 0.230357 Si\n0.246635 0.335110 0.230418 Si\n0.998627 0.988615 0.833679 O\n0.046431 0.001438 0.172045 O\n0.032691 0.333054 0.600562 O\n0.703752 0.665646 0.612884 O\n0.959505 0.669243 0.389387 O\n0.302212 0.334562 0.389424 O\n0.879715 0.447765 0.834154 O\n0.457706 0.566048 0.833794 O\n0.072081 0.513814 0.174376 O\n0.558228 0.488409 0.170632 O\n0.363829 0.000838 0.593110 F\n0.626684 0.989107 0.400982 F\n",
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{
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"structure_string": "Li3 V4 Ni1 O12\n1.0\n5.389656 -0.004175 0.013020\n6.063319 8.880203 0.015714\n6.075507 6.038642 4.148897\nLi V Ni O\n3 4 1 12\ndirect\n0.287084 0.499087 0.287236 Li\n0.791198 0.001909 0.779936 Li\n0.781369 0.496371 0.791757 Li\n0.017661 0.001071 0.999940 V\n0.990088 0.491496 0.017127 V\n0.490865 0.993596 0.519112 V\n0.512783 0.502479 0.498476 V\n0.291711 0.002467 0.294150 Ni\n0.360491 0.304633 0.108511 O\n0.225854 0.117375 0.618222 O\n0.109523 0.309075 0.730970 O\n0.854643 0.181451 0.234276 O\n0.350673 0.810397 0.110471 O\n0.714679 0.385673 0.353865 O\n0.231726 0.631399 0.594015 O\n0.597791 0.189319 0.855528 O\n0.129387 0.824838 0.708529 O\n0.851762 0.689821 0.229278 O\n0.729730 0.876978 0.347799 O\n0.610582 0.690567 0.850399 O\n",
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]
}