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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10125",
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"results": [
{
"id": "mp-1666304",
"created_at": "2022-09-04T14:39:20.674286Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n2.888151 0.000014 0.000029\n-1.444022 7.727304 0.941966\n0.000196 0.802524 19.591730\nLi Mn Co O\n14 8 2 24\ndirect\n0.666066 0.332079 0.999794 Li\n0.667930 0.335835 0.499383 Li\n0.417601 0.835320 0.126381 Li\n0.421231 0.842326 0.626496 Li\n0.915164 0.830322 0.375527 Li\n0.912644 0.825129 0.873351 Li\n0.240172 0.480312 0.377908 Li\n0.238341 0.476738 0.880381 Li\n0.100934 0.202016 0.119372 Li\n0.095378 0.190505 0.619760 Li\n0.744082 0.488106 0.122467 Li\n0.751552 0.503027 0.623329 Li\n0.585328 0.170496 0.375901 Li\n0.581843 0.163623 0.877144 Li\n0.004360 0.008534 0.998458 Mn\n0.329123 0.658432 0.502316 Mn\n0.830630 0.661818 0.752188 Mn\n0.502818 0.004924 0.747779 Mn\n0.006129 0.011777 0.497658 Mn\n0.328694 0.657337 0.001651 Mn\n0.829115 0.657716 0.254358 Mn\n0.502820 0.007706 0.248429 Mn\n0.166721 0.333293 0.750061 Co\n0.166261 0.332707 0.246471 Co\n0.533814 0.067709 0.055939 O\n0.536988 0.073713 0.554578 O\n0.799074 0.598107 0.445227 O\n0.797656 0.595243 0.944616 O\n0.364761 0.729225 0.310148 O\n0.364812 0.729955 0.810453 O\n0.949850 0.900019 0.199093 O\n0.968878 0.937260 0.689345 O\n0.223348 0.446630 0.057318 O\n0.223645 0.447269 0.557995 O\n0.111305 0.222408 0.441190 O\n0.110020 0.220041 0.942590 O\n0.877355 0.754694 0.053374 O\n0.878916 0.757790 0.553349 O\n0.456390 0.912601 0.446498 O\n0.455430 0.910855 0.946774 O\n0.714978 0.429898 0.307621 O\n0.697570 0.394905 0.808053 O\n0.625630 0.251486 0.184357 O\n0.635951 0.271815 0.692004 O\n0.034408 0.070348 0.307569 O\n0.034183 0.067815 0.806689 O\n0.300793 0.601177 0.195366 O\n0.299309 0.598960 0.693291 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.963887013417013,
"density_atomic": 0.11033015134026317,
"volume": 435.0578642094475,
"volume_molar": 5.458291035446372,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -331.0212444,
"energy_per_atom": -6.896275925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -297.9132444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.00157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.525000Z",
"spacegroup": 8
},
{
"id": "mp-1642451",
"created_at": "2022-09-04T14:47:32.919964Z",
"structure_string": "Li8 Ti6 Co6 O24\n1.0\n-3.481464 -2.557087 -5.010760\n3.506127 7.192242 -2.574096\n7.138028 -4.158412 -2.552016\nLi Ti Co O\n8 6 6 24\ndirect\n0.333193 0.583326 0.749944 Li\n0.333317 0.083344 0.250016 Li\n0.329024 0.332082 0.999522 Li\n0.337481 0.834364 0.500426 Li\n0.989346 0.760286 0.231395 Li\n0.991702 0.276137 0.733570 Li\n0.677459 0.406459 0.268618 Li\n0.674949 0.890464 0.766447 Li\n0.337874 0.827006 0.993133 Ti\n0.328813 0.339591 0.506890 Ti\n0.676094 0.159446 0.993082 Ti\n0.687336 0.658968 0.487599 Ti\n0.979298 0.507717 0.012405 Ti\n0.990521 0.007225 0.506945 Ti\n0.333353 0.083319 0.750012 Co\n0.668510 0.915424 0.249565 Co\n0.998210 0.251287 0.250427 Co\n0.333387 0.583336 0.250007 Co\n0.665365 0.419954 0.750109 Co\n0.001324 0.746728 0.749882 Co\n0.994618 0.518056 0.773036 O\n0.975262 0.997186 0.274365 O\n0.672029 0.648614 0.726957 O\n0.691452 0.169522 0.225636 O\n0.993558 0.273548 0.005957 O\n0.991153 0.758988 0.507312 O\n0.675533 0.407699 0.992701 O\n0.673105 0.893133 0.494014 O\n0.331317 0.333275 0.731211 O\n0.363615 0.841733 0.233775 O\n0.303066 0.324960 0.266227 O\n0.335328 0.833377 0.768790 O\n0.366348 0.082103 0.994980 O\n0.353648 0.573033 0.493211 O\n0.313030 0.593655 0.006791 O\n0.300300 0.084583 0.505011 O\n0.654585 0.928578 0.002768 O\n0.638649 0.417773 0.503436 O\n0.028025 0.748913 0.996560 O\n0.012058 0.238084 0.497253 O\n0.669212 0.667486 0.270951 O\n0.672132 0.192695 0.769861 O\n0.997555 0.499221 0.229050 O\n0.994523 0.973988 0.730154 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 3.9376959114280794,
"density_atomic": 0.09658183221018202,
"volume": 455.5722229854463,
"volume_molar": 6.235272848101056,
"formula_full": "Li8 Ti6 Co6 O24",
"formula_reduced": "Li4Ti3(CoO4)3",
"formula_anonymous": "A3B3C4D12",
"energy": -331.02302645,
"energy_per_atom": -7.523250601136363,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -304.70702645,
"band_gap": 0.9952,
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"is_magnetic": true,
"total_magnetization": 0.003717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.425000Z",
"spacegroup": 2
},
{
"id": "mp-1212466",
"created_at": "2022-09-04T14:41:49.349227Z",
"structure_string": "Hf20 Co4 P12\n1.0\n3.592494 0.000000 0.000000\n0.000000 10.186878 0.000000\n0.000000 0.000000 16.981334\nHf Co P\n20 4 12\ndirect\n0.250000 0.121854 0.476262 Hf\n0.750000 0.878146 0.523738 Hf\n0.750000 0.621854 0.023738 Hf\n0.250000 0.378146 0.976262 Hf\n0.250000 0.061512 0.075891 Hf\n0.750000 0.938488 0.924109 Hf\n0.750000 0.561512 0.424109 Hf\n0.250000 0.438488 0.575891 Hf\n0.250000 0.488231 0.272576 Hf\n0.750000 0.511769 0.727424 Hf\n0.750000 0.988231 0.227424 Hf\n0.250000 0.011769 0.772576 Hf\n0.250000 0.815007 0.368111 Hf\n0.750000 0.184993 0.631889 Hf\n0.750000 0.315007 0.131889 Hf\n0.250000 0.684993 0.868111 Hf\n0.250000 0.753636 0.167728 Hf\n0.750000 0.246364 0.832272 Hf\n0.750000 0.253636 0.332272 Hf\n0.250000 0.746364 0.667728 Hf\n0.250000 0.367499 0.412139 Co\n0.750000 0.632501 0.587861 Co\n0.750000 0.867499 0.087861 Co\n0.250000 0.132501 0.912139 Co\n0.250000 0.811005 0.009329 P\n0.750000 0.188995 0.990671 P\n0.750000 0.311005 0.490671 P\n0.250000 0.688995 0.509329 P\n0.250000 0.505324 0.116140 P\n0.750000 0.494676 0.883860 P\n0.750000 0.005324 0.383860 P\n0.250000 0.994676 0.616140 P\n0.250000 0.185242 0.218060 P\n0.750000 0.814758 0.781940 P\n0.750000 0.685242 0.281940 P\n0.250000 0.314758 0.718060 P\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Hf",
"Co",
"P"
],
"chemical_system": "Co-Hf-P",
"density": 11.16162095145644,
"density_atomic": 0.057928667695143266,
"volume": 621.4539610932263,
"volume_molar": 10.395786748786033,
"formula_full": "Hf20 Co4 P12",
"formula_reduced": "Hf5CoP3",
"formula_anonymous": "AB3C5",
"energy": -331.02365298000007,
"energy_per_atom": -9.195101471666668,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -331.02365298000007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.871000Z",
"spacegroup": 62
},
{
"id": "mp-1176615",
"created_at": "2022-09-04T14:48:06.947038Z",
"structure_string": "Li2 Mn2 V2 P8 O28\n1.0\n7.040973 0.000000 0.000000\n0.284817 8.181593 0.000000\n3.078347 0.030797 9.195851\nLi Mn V P O\n2 2 2 8 28\ndirect\n0.328930 0.862618 0.584572 Li\n0.671087 0.357754 0.912935 Li\n0.733628 0.007154 0.390966 Mn\n0.721644 0.992522 0.896460 Mn\n0.275096 0.505767 0.108984 V\n0.280659 0.495507 0.601368 V\n0.481998 0.175656 0.199970 P\n0.909999 0.780472 0.110075 P\n0.087208 0.286898 0.391524 P\n0.515200 0.678859 0.302368 P\n0.477030 0.177576 0.702843 P\n0.907594 0.780956 0.609741 P\n0.091113 0.291185 0.893919 P\n0.516420 0.681767 0.799296 P\n0.161242 0.340509 0.022006 O\n0.105117 0.677717 0.069210 O\n0.529622 0.038661 0.088249 O\n0.486182 0.344967 0.124884 O\n0.393870 0.661459 0.195303 O\n0.093735 0.439812 0.294548 O\n0.252542 0.152789 0.299682 O\n0.745633 0.653028 0.204409 O\n0.910080 0.931725 0.200184 O\n0.609656 0.174658 0.301542 O\n0.488179 0.844189 0.375623 O\n0.472521 0.536029 0.411365 O\n0.155823 0.338614 0.521559 O\n0.111590 0.688475 0.571075 O\n0.893862 0.200208 0.441781 O\n0.855018 0.826920 0.472440 O\n0.517725 0.039051 0.592176 O\n0.481573 0.347739 0.633144 O\n0.393014 0.668691 0.692982 O\n0.099452 0.440945 0.792633 O\n0.248002 0.150803 0.803891 O\n0.750251 0.648648 0.701402 O\n0.907742 0.930732 0.703950 O\n0.609924 0.176468 0.801648 O\n0.494520 0.847893 0.865988 O\n0.480708 0.537477 0.907984 O\n0.888937 0.214673 0.938126 O\n0.861268 0.821578 0.969846 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8882954091729034,
"density_atomic": 0.0792842302869689,
"volume": 529.7396449203227,
"volume_molar": 7.595635018720482,
"formula_full": "Li2 Mn2 V2 P8 O28",
"formula_reduced": "LiMnV(P2O7)2",
"formula_anonymous": "ABCD4E14",
"energy": -331.02376115,
"energy_per_atom": -7.881518122619047,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:26.842000Z",
"spacegroup": 1
},
{
"id": "mp-540995",
"created_at": "2022-09-04T14:39:09.134155Z",
"structure_string": "Rb10 Nb6 O2 F36\n1.0\n-7.911308 7.911308 3.986861\n7.911308 -7.911308 3.986861\n7.911308 7.911308 -3.986861\nRb Nb O F\n10 6 2 36\ndirect\n0.237171 0.737171 0.500000 Rb\n0.737171 0.237171 0.500000 Rb\n0.188258 0.881536 0.139682 Rb\n0.048575 0.188258 0.306722 Rb\n0.881536 0.741853 0.693278 Rb\n0.741853 0.048575 0.860318 Rb\n0.381536 0.688258 0.139682 Rb\n0.548575 0.241853 0.860318 Rb\n0.688258 0.548575 0.306722 Rb\n0.241853 0.381536 0.693278 Rb\n0.344023 0.156362 0.500000 Nb\n0.844023 0.344023 0.187662 Nb\n0.156362 0.656362 0.812338 Nb\n0.656362 0.844023 0.500000 Nb\n0.733625 0.733625 0.000000 Nb\n0.233625 0.233625 0.000000 Nb\n0.007085 0.007085 0.000000 O\n0.507085 0.507085 0.000000 O\n0.607776 0.379071 0.500000 F\n0.107776 0.607776 0.228705 F\n0.379071 0.879071 0.771295 F\n0.879071 0.107776 0.500000 F\n0.011427 0.621771 0.669925 F\n0.341502 0.011427 0.389656 F\n0.621771 0.951846 0.610344 F\n0.951846 0.341502 0.330075 F\n0.121771 0.511427 0.669925 F\n0.841502 0.451846 0.330075 F\n0.511427 0.841502 0.389656 F\n0.451846 0.121771 0.610344 F\n0.399556 0.608223 0.500000 F\n0.899556 0.399556 0.791333 F\n0.608223 0.108223 0.208667 F\n0.108223 0.899556 0.500000 F\n0.649091 0.719376 0.840146 F\n0.808945 0.649091 0.929715 F\n0.719376 0.879230 0.070285 F\n0.879230 0.808945 0.159854 F\n0.219376 0.149091 0.840146 F\n0.308945 0.379230 0.159854 F\n0.149091 0.308945 0.929715 F\n0.379230 0.219376 0.070285 F\n0.801004 0.459803 0.123201 F\n0.677803 0.801004 0.341201 F\n0.459803 0.336602 0.658799 F\n0.336602 0.677803 0.876799 F\n0.959803 0.301004 0.123201 F\n0.177803 0.836602 0.876799 F\n0.301004 0.177803 0.341201 F\n0.836602 0.959803 0.658799 F\n0.659698 0.678849 0.500000 F\n0.159698 0.659698 0.980849 F\n0.678849 0.178849 0.019151 F\n0.178849 0.159698 0.500000 F\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O-Rb",
"density": 3.5403386331270754,
"density_atomic": 0.05410109917511677,
"volume": 998.1312916621246,
"volume_molar": 11.131272472870238,
"formula_full": "Rb10 Nb6 O2 F36",
"formula_reduced": "Rb5Nb3OF18",
"formula_anonymous": "AB3C5D18",
"energy": -331.02615275000005,
"energy_per_atom": -6.130113939814816,
"energy_above_hull": null,
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"energy_uncorrected": -313.02015275,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.374000Z",
"spacegroup": 108
},
{
"id": "mp-758078",
"created_at": "2022-09-04T14:41:45.622190Z",
"structure_string": "Li6 Co9 Si6 O24\n1.0\n4.963453 0.000000 0.000000\n-0.115776 8.853501 0.000000\n-2.255362 -4.204939 12.416152\nLi Co Si O\n6 9 6 24\ndirect\n0.443635 0.351962 0.767987 Li\n0.384508 0.628353 0.691267 Li\n0.270109 0.533616 0.476126 Li\n0.483383 0.097550 0.854786 Li\n0.725536 0.342434 0.359089 Li\n0.608550 0.215463 0.092829 Li\n0.002989 0.009668 0.995554 Co\n0.272839 0.208426 0.491587 Co\n0.213251 0.453674 0.184744 Co\n0.287060 0.861312 0.341544 Co\n0.918742 0.602335 0.839067 Co\n0.605858 0.531328 0.038050 Co\n0.683375 0.920886 0.188440 Co\n0.933336 0.124829 0.687707 Co\n0.856682 0.714004 0.539723 Co\n0.028110 0.318485 0.933823 Si\n0.483602 0.801675 0.937556 Si\n0.187524 0.149231 0.249086 Si\n0.386186 0.930653 0.598873 Si\n0.826874 0.410058 0.596608 Si\n0.768152 0.638475 0.286206 Si\n0.043383 0.547645 0.591175 O\n0.022590 0.260496 0.601783 O\n0.172168 0.246112 0.828283 O\n0.069015 0.916976 0.619440 O\n0.372976 0.982258 0.962627 O\n0.052360 0.224946 0.356294 O\n0.300882 0.657626 0.838896 O\n0.390212 0.991520 0.492849 O\n0.387839 0.276574 0.222959 O\n0.489275 0.748324 0.575687 O\n0.560882 0.069103 0.705098 O\n0.385053 0.006488 0.263825 O\n0.288834 0.391882 0.035312 O\n0.433752 0.649994 0.279242 O\n0.784023 0.813757 0.901547 O\n0.572275 0.364443 0.491818 O\n0.679982 0.469162 0.703528 O\n0.820579 0.458951 0.919757 O\n0.831711 0.191550 0.960817 O\n0.528921 0.752997 0.050082 O\n0.909012 0.588827 0.390328 O\n0.818074 0.497567 0.174724 O\n0.889942 0.812589 0.286760 O\n0.923056 0.073691 0.147320 O\n",
"nsites": 45,
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"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.4224674468093896,
"density_atomic": 0.0824758003505071,
"volume": 545.6145900828875,
"volume_molar": 7.301706360419663,
"formula_full": "Li6 Co9 Si6 O24",
"formula_reduced": "Li2Co3(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -331.02850122,
"energy_per_atom": -7.356188916,
"energy_above_hull": null,
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"energy_uncorrected": -299.79850122,
"band_gap": 2.2312000000000003,
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"updated_at": "2021-11-28T01:35:22.640000Z",
"spacegroup": 1
},
{
"id": "mp-1641094",
"created_at": "2022-09-04T14:42:15.003000Z",
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{
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{
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{
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"structure_string": "Mg4 Mn12 O28\n1.0\n5.456486 0.000000 0.000000\n0.000000 9.610656 0.000000\n0.000000 0.000000 10.390441\nMg Mn O\n4 12 28\ndirect\n0.374279 0.044392 0.250000 Mg\n0.874279 0.455608 0.750000 Mg\n0.625721 0.955608 0.750000 Mg\n0.125721 0.544392 0.250000 Mg\n0.710437 0.701258 0.971702 Mn\n0.210437 0.798742 0.028298 Mn\n0.289563 0.298742 0.471702 Mn\n0.789563 0.201258 0.528298 Mn\n0.708126 0.764748 0.250000 Mn\n0.208126 0.735252 0.750000 Mn\n0.291874 0.235252 0.750000 Mn\n0.791874 0.264748 0.250000 Mn\n0.210437 0.798742 0.471702 Mn\n0.710437 0.701258 0.528298 Mn\n0.789563 0.201258 0.971702 Mn\n0.289563 0.298742 0.028298 Mn\n0.044834 0.290581 0.877914 O\n0.544834 0.209419 0.122086 O\n0.955166 0.709419 0.377914 O\n0.455166 0.790581 0.622086 O\n0.955166 0.709419 0.122086 O\n0.455166 0.790581 0.877914 O\n0.044834 0.290581 0.622086 O\n0.544834 0.209419 0.377914 O\n0.520051 0.281159 0.882228 O\n0.020051 0.218841 0.117772 O\n0.479949 0.718841 0.382228 O\n0.979949 0.781159 0.617772 O\n0.479949 0.718841 0.117772 O\n0.979949 0.781159 0.882228 O\n0.520051 0.281159 0.617772 O\n0.020051 0.218841 0.382228 O\n0.802074 0.443247 0.250000 O\n0.302074 0.056753 0.750000 O\n0.197926 0.556753 0.750000 O\n0.697926 0.943247 0.250000 O\n0.774375 0.035939 0.590195 O\n0.274375 0.464061 0.409805 O\n0.225625 0.964061 0.090195 O\n0.725625 0.535939 0.909805 O\n0.225625 0.964061 0.409805 O\n0.725625 0.535939 0.590195 O\n0.774375 0.035939 0.909805 O\n0.274375 0.464061 0.090195 O\n",
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{
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"structure_string": "Li14 Mn8 Co2 O24\n1.0\n2.845949 0.000068 0.388696\n-2.056367 14.443487 4.440897\n-2.840611 -0.155907 10.176370\nLi Mn Co O\n14 8 2 24\ndirect\n0.499985 0.166712 0.833314 Li\n0.999955 0.666595 0.333387 Li\n0.621047 0.123400 0.118506 Li\n0.121111 0.623520 0.618544 Li\n0.378936 0.209786 0.548161 Li\n0.878973 0.709964 0.048131 Li\n0.873655 0.377188 0.370221 Li\n0.373825 0.876456 0.871278 Li\n0.626329 0.456153 0.796452 Li\n0.126158 0.956839 0.295408 Li\n0.123363 0.287803 0.958916 Li\n0.623226 0.787146 0.459389 Li\n0.876739 0.046042 0.707392 Li\n0.376620 0.545520 0.207772 Li\n0.498910 0.828921 0.168728 Mn\n0.748970 0.750464 0.747400 Mn\n0.751049 0.082859 0.419280 Mn\n0.001136 0.004468 0.997865 Mn\n0.501197 0.504427 0.498060 Mn\n0.998812 0.328903 0.668625 Mn\n0.248754 0.250465 0.246954 Mn\n0.251283 0.582895 0.919724 Mn\n0.749983 0.416681 0.083330 Co\n0.249962 0.916667 0.583307 Co\n0.053160 0.472400 0.633867 O\n0.553172 0.972566 0.133705 O\n0.446887 0.360943 0.532804 O\n0.946835 0.860860 0.032831 O\n0.808026 0.237854 0.378281 O\n0.308291 0.737821 0.878619 O\n0.191758 0.095475 0.288099 O\n0.691940 0.595445 0.788406 O\n0.055871 0.126345 0.985468 O\n0.555965 0.626443 0.485564 O\n0.944038 0.206879 0.681122 O\n0.444088 0.707074 0.181122 O\n0.306759 0.403747 0.210808 O\n0.806834 0.903175 0.710723 O\n0.193227 0.429551 0.955885 O\n0.693116 0.930208 0.455861 O\n0.556921 0.317581 0.795953 O\n0.057061 0.817840 0.296048 O\n0.442984 0.015596 0.870579 O\n0.943111 0.515744 0.370727 O\n0.310022 0.067912 0.552135 O\n0.810081 0.567757 0.052383 O\n0.689937 0.265486 0.114342 O\n0.189937 0.765428 0.614527 O\n",
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}
]
}