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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=99",
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"results": [
{
"id": "mp-1175221",
"created_at": "2022-09-04T14:40:00.478879Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.160036 0.000000 0.000000\n-0.028260 5.806040 0.000000\n-2.393421 -1.337075 7.187914\nLi Mn Co O\n7 4 1 12\ndirect\n0.509928 0.253973 0.997288 Li\n0.154560 0.419157 0.682306 Li\n0.842840 0.576110 0.320944 Li\n0.490197 0.740596 0.997429 Li\n0.160803 0.922244 0.670739 Li\n0.838966 0.080226 0.329191 Li\n0.992876 0.495758 0.996650 Li\n0.998857 0.002175 0.998569 Mn\n0.336977 0.332572 0.328891 Mn\n0.660057 0.669164 0.672283 Mn\n0.343114 0.832051 0.330782 Mn\n0.659914 0.168988 0.667837 Co\n0.949149 0.280119 0.170078 O\n0.572574 0.455864 0.812901 O\n0.276199 0.646356 0.503324 O\n0.970558 0.803490 0.180756 O\n0.573796 0.951848 0.814624 O\n0.282991 0.121256 0.490262 O\n0.036868 0.196406 0.823815 O\n0.730728 0.385773 0.515342 O\n0.426561 0.549263 0.187668 O\n0.034001 0.716494 0.824810 O\n0.722250 0.880305 0.509626 O\n0.435236 0.019810 0.173887 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.004079274403854,
"density_atomic": 0.11144885583975467,
"volume": 215.34541399427283,
"volume_molar": 5.403501646224937,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.68180866,
"energy_per_atom": -6.903408694166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -149.12780866,
"band_gap": 0.4449999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0004303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.212000Z",
"spacegroup": 1
},
{
"id": "mp-1398433",
"created_at": "2022-09-04T14:40:00.841871Z",
"structure_string": "Si4 O8\n1.0\n4.933881 0.000000 0.000000\n-1.573276 6.595480 0.000000\n-0.775173 -3.477331 6.030780\nSi O\n4 8\ndirect\n0.103746 0.050927 0.526475 Si\n0.955514 0.799165 0.241660 Si\n0.689979 0.110903 0.752773 Si\n0.443444 0.496903 0.372893 Si\n0.609522 0.377139 0.640733 O\n0.972614 0.864953 0.434207 O\n0.889839 0.027004 0.002960 O\n0.693821 0.599903 0.238056 O\n0.854278 0.096662 0.597658 O\n0.379175 0.955476 0.744052 O\n0.261254 0.708098 0.292644 O\n0.223767 0.289614 0.333639 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.0335812571571275,
"density_atomic": 0.06114665186278335,
"volume": 196.24950237551354,
"volume_molar": 9.848684394877477,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -44.551637760000006,
"energy_per_atom": -3.7126364800000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.05563776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1304518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.319000Z",
"spacegroup": 1
},
{
"id": "mp-674374",
"created_at": "2022-09-04T14:40:00.842819Z",
"structure_string": "In11 Sb3 O24\n1.0\n8.174446 0.000000 0.000000\n2.529004 7.804710 0.000000\n2.554354 1.928537 7.596123\nIn Sb O\n11 3 24\ndirect\n0.390529 0.918272 0.220045 In\n0.713689 0.890684 0.425535 In\n0.423451 0.719211 0.891380 In\n0.072556 0.789588 0.606980 In\n0.887582 0.422327 0.712470 In\n0.781652 0.611510 0.079216 In\n0.109397 0.579083 0.288679 In\n0.926243 0.212217 0.390680 In\n0.586302 0.283927 0.108000 In\n0.287534 0.108932 0.569023 In\n0.609165 0.077791 0.781669 In\n0.000979 0.998163 0.002527 Sb\n0.500072 0.495663 0.499923 Sb\n0.211175 0.394589 0.928895 Sb\n0.129339 0.922418 0.779094 O\n0.582700 0.718997 0.375446 O\n0.502049 0.915700 0.671138 O\n0.221824 0.864389 0.087418 O\n0.825662 0.997111 0.583241 O\n0.916490 0.672724 0.508952 O\n0.581888 0.834644 0.998262 O\n0.675562 0.508618 0.916365 O\n0.279835 0.632099 0.415339 O\n0.013061 0.578504 0.830321 O\n0.634801 0.416041 0.277270 O\n0.916726 0.772488 0.134216 O\n0.089063 0.232388 0.876305 O\n0.363555 0.565682 0.735307 O\n0.015948 0.404743 0.157422 O\n0.720309 0.365464 0.584064 O\n0.315508 0.496289 0.074228 O\n0.402650 0.187546 0.994787 O\n0.081157 0.327919 0.493966 O\n0.174667 0.002619 0.416404 O\n0.780814 0.136235 0.913092 O\n0.497815 0.083727 0.318348 O\n0.409824 0.277752 0.633801 O\n0.868426 0.083946 0.220188 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"In",
"Sb",
"O"
],
"chemical_system": "In-O-Sb",
"density": 6.894882674400057,
"density_atomic": 0.07841091257250377,
"volume": 484.62642192644756,
"volume_molar": 7.680232970674257,
"formula_full": "In11 Sb3 O24",
"formula_reduced": "In11(SbO8)3",
"formula_anonymous": "A3B11C24",
"energy": -235.92767912,
"energy_per_atom": -6.208623134736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -219.43967912,
"band_gap": 1.5347,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.44e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.301000Z",
"spacegroup": 1
},
{
"id": "mp-1244912",
"created_at": "2022-09-04T14:40:00.842866Z",
"structure_string": "Cr32 O48\n1.0\n9.933175 -0.169992 -0.233758\n-0.166339 9.065365 -0.084704\n-0.238449 -0.086122 10.481749\nCr O\n32 48\ndirect\n0.548483 0.468956 0.518247 Cr\n0.523827 0.116952 0.645392 Cr\n0.723149 0.094204 0.916307 Cr\n0.270971 0.973476 0.443173 Cr\n0.505750 0.328674 0.094846 Cr\n0.868923 0.871650 0.166226 Cr\n0.409751 0.958969 0.871607 Cr\n0.943680 0.729224 0.404002 Cr\n0.357449 0.738545 0.643628 Cr\n0.677524 0.660583 0.056541 Cr\n0.891839 0.597617 0.624475 Cr\n0.188134 0.412409 0.065725 Cr\n0.626009 0.824681 0.375941 Cr\n0.826643 0.346180 0.064847 Cr\n0.939860 0.890744 0.898281 Cr\n0.889967 0.196779 0.738797 Cr\n0.666616 0.753109 0.720923 Cr\n0.067251 0.508055 0.847473 Cr\n0.841924 0.995390 0.521269 Cr\n0.401002 0.617618 0.921908 Cr\n0.303487 0.912277 0.139030 Cr\n0.090425 0.865785 0.679064 Cr\n0.143624 0.113756 0.964711 Cr\n0.766857 0.421521 0.323716 Cr\n0.616679 0.422680 0.797188 Cr\n0.328989 0.335730 0.763933 Cr\n0.077231 0.690712 0.088342 Cr\n0.045436 0.346290 0.537941 Cr\n0.308076 0.296182 0.326771 Cr\n0.361490 0.625333 0.323134 Cr\n0.031975 0.147448 0.267966 Cr\n0.554205 0.121655 0.363844 Cr\n0.205160 0.334452 0.623869 O\n0.384145 0.129895 0.763598 O\n0.985099 0.708506 0.786142 O\n0.860005 0.021606 0.034022 O\n0.959650 0.415283 0.704104 O\n0.907971 0.966654 0.345981 O\n0.058037 0.036536 0.802861 O\n0.003186 0.482870 0.033204 O\n0.649135 0.007700 0.498100 O\n0.812912 0.975516 0.762368 O\n0.107151 0.905083 0.044850 O\n0.126571 0.990628 0.536080 O\n0.457547 0.219630 0.238833 O\n0.133917 0.223555 0.128123 O\n0.327919 0.785018 0.464377 O\n0.208928 0.597654 0.966772 O\n0.404947 0.801238 0.008403 O\n0.967460 0.700812 0.234113 O\n0.553381 0.631123 0.395236 O\n0.681597 0.212271 0.762224 O\n0.872667 0.284314 0.237088 O\n0.659998 0.222808 0.041342 O\n0.349929 0.566697 0.745948 O\n0.880051 0.257819 0.913808 O\n0.795678 0.777173 0.529568 O\n0.365610 0.460153 0.440448 O\n0.057011 0.700383 0.555749 O\n0.257861 0.841203 0.764287 O\n0.175421 0.321833 0.891376 O\n0.497265 0.341667 0.657448 O\n0.485887 0.931434 0.286189 O\n0.597430 0.957524 0.922316 O\n0.867526 0.743134 0.011333 O\n0.330048 0.073911 0.010353 O\n0.709649 0.770919 0.220114 O\n0.235944 0.722090 0.211792 O\n0.460191 0.400211 0.920226 O\n0.340677 0.448144 0.189921 O\n0.207252 0.027305 0.284108 O\n0.119880 0.296759 0.374868 O\n0.667566 0.461221 0.151877 O\n0.897720 0.507329 0.449770 O\n0.604072 0.627525 0.872441 O\n0.644212 0.317908 0.428629 O\n0.501701 0.884201 0.693965 O\n0.701720 0.537119 0.657106 O\n0.905836 0.188245 0.554551 O\n0.401633 0.125910 0.478409 O\n",
"nsites": 80,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.282364472403003,
"density_atomic": 0.08483760042524446,
"volume": 942.9781087513529,
"volume_molar": 7.098433630624044,
"formula_full": "Cr32 O48",
"formula_reduced": "Cr2O3",
"formula_anonymous": "A2B3",
"energy": -701.8608534099999,
"energy_per_atom": -8.773260667625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -604.91685341,
"band_gap": 0.5238999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 95.9991799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.533000Z",
"spacegroup": 1
},
{
"id": "mp-1247706",
"created_at": "2022-09-04T14:40:00.820442Z",
"structure_string": "Ca32 Mn32 O92\n1.0\n10.909971 -0.005931 -0.027367\n-0.008158 15.266997 -0.014364\n-0.026986 -0.010208 10.718201\nCa Mn O\n32 32 92\ndirect\n0.021277 0.123361 0.500817 Ca\n0.019615 0.117549 0.989594 Ca\n0.023008 0.625608 0.495303 Ca\n0.023413 0.626356 0.994454 Ca\n0.527291 0.129946 0.507525 Ca\n0.532488 0.122094 0.976804 Ca\n0.524224 0.624800 0.496174 Ca\n0.522800 0.625917 0.994142 Ca\n0.485976 0.383060 0.997035 Ca\n0.476968 0.381283 0.510196 Ca\n0.478803 0.870982 0.997490 Ca\n0.479153 0.866372 0.514019 Ca\n0.968572 0.382276 0.999583 Ca\n0.975607 0.376846 0.503574 Ca\n0.976280 0.873169 0.004705 Ca\n0.973626 0.873056 0.505429 Ca\n0.228849 0.390153 0.256618 Ca\n0.225306 0.378761 0.743339 Ca\n0.224679 0.872900 0.242758 Ca\n0.227457 0.874076 0.748162 Ca\n0.732143 0.381050 0.244508 Ca\n0.726447 0.377624 0.745329 Ca\n0.732744 0.868234 0.244512 Ca\n0.726986 0.873202 0.746302 Ca\n0.245584 0.119961 0.256836 Ca\n0.272704 0.122016 0.745220 Ca\n0.272275 0.626706 0.255859 Ca\n0.272715 0.625448 0.755620 Ca\n0.781220 0.120998 0.256418 Ca\n0.775345 0.123705 0.755410 Ca\n0.773201 0.625360 0.255427 Ca\n0.773198 0.625412 0.754630 Ca\n0.999494 0.997961 0.249176 Mn\n0.996676 0.997702 0.750746 Mn\n0.999302 0.501128 0.248826 Mn\n0.999830 0.500514 0.749493 Mn\n0.510112 0.986680 0.241399 Mn\n0.500700 0.998917 0.748723 Mn\n0.499591 0.503058 0.250511 Mn\n0.500305 0.501496 0.749554 Mn\n0.251457 0.001909 0.000676 Mn\n0.240135 0.995102 0.506318 Mn\n0.249625 0.501767 0.001938 Mn\n0.250128 0.501719 0.502212 Mn\n0.751786 0.000033 0.997684 Mn\n0.748610 0.000016 0.500532 Mn\n0.748794 0.501921 0.999867 Mn\n0.750479 0.499857 0.499492 Mn\n0.257487 0.246739 0.973572 Mn\n0.249859 0.250010 0.497162 Mn\n0.249905 0.750066 0.000466 Mn\n0.250144 0.750113 0.499557 Mn\n0.750736 0.249268 0.999129 Mn\n0.752763 0.248911 0.505306 Mn\n0.749669 0.749922 0.999655 Mn\n0.750312 0.749104 0.500272 Mn\n0.993554 0.250516 0.257668 Mn\n0.996957 0.249869 0.747672 Mn\n0.999862 0.749444 0.249729 Mn\n0.000247 0.749786 0.749713 Mn\n0.517170 0.256730 0.263648 Mn\n0.502899 0.251511 0.747130 Mn\n0.498937 0.748103 0.250927 Mn\n0.500266 0.748687 0.750899 Mn\n0.103628 0.268226 0.599037 O\n0.103823 0.770543 0.104174 O\n0.105336 0.771998 0.602730 O\n0.587157 0.260146 0.104709 O\n0.598368 0.268910 0.600027 O\n0.605124 0.772798 0.105371 O\n0.607463 0.767772 0.605882 O\n0.394397 0.212928 0.367648 O\n0.407315 0.231133 0.898945 O\n0.396249 0.727284 0.397716 O\n0.396493 0.730129 0.896444 O\n0.893091 0.228097 0.405284 O\n0.896478 0.229966 0.900804 O\n0.895663 0.729865 0.397133 O\n0.895571 0.729399 0.896724 O\n0.150916 0.237951 0.340179 O\n0.136160 0.227673 0.854340 O\n0.146130 0.730289 0.352271 O\n0.146109 0.729875 0.852763 O\n0.651822 0.221538 0.355327 O\n0.648237 0.228407 0.852423 O\n0.646792 0.729113 0.353070 O\n0.645881 0.729182 0.854392 O\n0.352987 0.268985 0.645429 O\n0.355660 0.771943 0.146775 O\n0.354751 0.770952 0.646507 O\n0.858827 0.273512 0.143425 O\n0.849733 0.272118 0.649243 O\n0.855237 0.769849 0.146297 O\n0.854937 0.771094 0.646059 O\n0.356982 0.480669 0.144809 O\n0.354799 0.479456 0.646669 O\n0.356014 0.996620 0.163833 O\n0.357820 0.979737 0.639950 O\n0.854868 0.479755 0.145467 O\n0.854656 0.479061 0.646018 O\n0.852579 0.980604 0.149444 O\n0.849353 0.978599 0.647572 O\n0.143829 0.015092 0.356292 O\n0.146491 0.023855 0.857139 O\n0.147353 0.519378 0.352185 O\n0.147727 0.517666 0.852973 O\n0.625955 0.030219 0.355553 O\n0.646879 0.021396 0.850781 O\n0.646652 0.519503 0.352208 O\n0.645923 0.520583 0.853421 O\n0.394443 0.021073 0.896149 O\n0.395077 0.521202 0.396844 O\n0.396393 0.517062 0.897359 O\n0.892361 0.022659 0.394899 O\n0.893464 0.019133 0.896197 O\n0.897239 0.518505 0.396738 O\n0.896804 0.518786 0.898393 O\n0.104174 0.478435 0.104262 O\n0.105185 0.478721 0.603747 O\n0.105107 0.981015 0.104677 O\n0.096669 0.979240 0.609622 O\n0.606844 0.479927 0.105665 O\n0.605866 0.480574 0.603356 O\n0.604403 0.985162 0.094430 O\n0.600147 0.980881 0.598984 O\n0.014599 0.375275 0.281657 O\n0.011018 0.375402 0.787833 O\n0.009626 0.874595 0.290232 O\n0.010323 0.874227 0.791514 O\n0.497895 0.377806 0.286009 O\n0.509995 0.375620 0.785052 O\n0.507629 0.871612 0.299232 O\n0.510708 0.874697 0.786655 O\n0.488988 0.125275 0.716967 O\n0.488959 0.626547 0.208537 O\n0.488758 0.624708 0.711140 O\n0.000308 0.126811 0.208635 O\n0.988124 0.124461 0.711783 O\n0.989156 0.624767 0.209622 O\n0.989397 0.624964 0.710514 O\n0.241647 0.137373 0.047554 O\n0.248611 0.122334 0.527046 O\n0.239441 0.624100 0.039823 O\n0.238525 0.625485 0.540226 O\n0.740752 0.125680 0.041915 O\n0.739876 0.124492 0.543928 O\n0.739028 0.625527 0.040146 O\n0.740252 0.624753 0.539277 O\n0.265368 0.374424 0.463872 O\n0.257712 0.367061 0.988125 O\n0.266901 0.875772 0.457328 O\n0.263113 0.877536 0.966211 O\n0.757489 0.374295 0.459347 O\n0.753173 0.374892 0.962240 O\n0.758101 0.876188 0.458064 O\n0.759615 0.875072 0.961195 O\n",
"nsites": 156,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.197265474758913,
"density_atomic": 0.08738336084307213,
"volume": 1785.2368974472545,
"volume_molar": 6.891633260495546,
"formula_full": "Ca32 Mn32 O92",
"formula_reduced": "Ca8Mn8O23",
"formula_anonymous": "A8B8C23",
"energy": -1202.59572299,
"energy_per_atom": -7.70894694224359,
"energy_above_hull": null,
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"energy_uncorrected": -1086.01572299,
"band_gap": 0.0,
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"total_magnetization": 104.0000062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.189000Z",
"spacegroup": 1
},
{
"id": "mp-694974",
"created_at": "2022-09-04T14:40:00.539570Z",
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{
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{
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{
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{
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"structure_string": "Li10 Ti4 V6 O20\n1.0\n4.227641 5.131349 -0.011198\n6.114622 -5.027559 -0.239676\n2.323691 -1.906675 -7.291332\nLi Ti V O\n10 4 6 20\ndirect\n0.747149 0.749258 0.498443 Li\n0.247504 0.250538 0.501751 Li\n0.356151 0.869301 0.593128 Li\n0.857062 0.369904 0.590444 Li\n0.638795 0.136338 0.402941 Li\n0.141562 0.633574 0.404522 Li\n0.457722 0.933843 0.220811 Li\n0.957119 0.435499 0.220237 Li\n0.537261 0.068229 0.773977 Li\n0.038535 0.566311 0.773151 Li\n0.057087 0.039392 0.310443 Ti\n0.555206 0.538099 0.305092 Ti\n0.935948 0.961669 0.690106 Ti\n0.440439 0.466289 0.687278 Ti\n0.337670 0.344654 0.096061 V\n0.650698 0.656251 0.894834 V\n0.151622 0.156176 0.898075 V\n0.747803 0.255474 0.995049 V\n0.251180 0.753298 0.995271 V\n0.845218 0.845692 0.100150 V\n0.136180 0.903047 0.152009 O\n0.632580 0.402475 0.150841 O\n0.853672 0.093506 0.847239 O\n0.350147 0.595418 0.843627 O\n0.451512 0.677949 0.453400 O\n0.951960 0.177136 0.453894 O\n0.543990 0.325939 0.537708 O\n0.042314 0.825267 0.539998 O\n0.552331 0.789985 0.069419 O\n0.047125 0.289286 0.068640 O\n0.447693 0.218815 0.929281 O\n0.949043 0.720865 0.931324 O\n0.230669 0.002516 0.747250 O\n0.732712 0.501033 0.742871 O\n0.767277 0.999338 0.240812 O\n0.266853 0.500040 0.242426 O\n0.331085 0.096006 0.336178 O\n0.832887 0.598347 0.333529 O\n0.663012 0.908926 0.651893 O\n0.165198 0.405752 0.653974 O\n",
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{
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"structure_string": "Sr6 La4 Zn3 Ru2 O20\n1.0\n18.544450 -0.508625 -7.160705\n3.284877 3.587649 -2.867157\n0.543058 0.570572 6.908251\nSr La Zn Ru O\n6 4 3 2 20\ndirect\n0.399283 0.356670 0.714154 Sr\n0.400127 0.645884 0.286923 Sr\n0.600469 0.352638 0.713428 Sr\n0.802788 0.347666 0.714971 Sr\n0.799403 0.646517 0.284955 Sr\n0.004748 0.634546 0.279056 Sr\n0.190326 0.366475 0.721146 La\n0.190123 0.685683 0.278512 La\n0.600989 0.671558 0.286945 La\n0.006899 0.316141 0.722492 La\n0.999424 0.002644 0.007438 Zn\n0.200170 0.006793 0.011884 Zn\n0.599951 0.998907 0.991827 Zn\n0.399905 0.999693 0.998139 Ru\n0.800025 0.998999 0.998947 Ru\n0.103038 0.987275 0.996245 O\n0.006498 0.849460 0.656195 O\n0.101989 0.494691 0.995087 O\n0.202436 0.142482 0.360584 O\n0.300471 0.007267 0.001216 O\n0.194102 0.852260 0.636567 O\n0.300423 0.488783 0.996801 O\n0.401216 0.157106 0.320236 O\n0.497189 0.001796 0.998901 O\n0.397135 0.850157 0.681072 O\n0.498442 0.514378 0.004394 O\n0.599998 0.125939 0.336491 O\n0.700455 0.008559 0.002006 O\n0.598319 0.829416 0.643134 O\n0.702374 0.487202 0.995347 O\n0.792331 0.179932 0.320784 O\n0.898484 0.995013 0.998868 O\n0.805050 0.826931 0.679694 O\n0.897077 0.513148 0.004048 O\n0.008343 0.157392 0.361514 O\n",
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{
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}