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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10136",
"results": [
{
"id": "mp-756490",
"created_at": "2022-09-04T14:40:23.447360Z",
"structure_string": "Li12 Mn2 S8\n1.0\n8.047112 0.000000 0.000000\n0.000000 8.047112 0.000000\n0.000000 0.000000 5.803860\nLi Mn S\n12 2 8\ndirect\n0.274322 0.274322 0.500000 Li\n0.725678 0.274322 0.500000 Li\n0.000000 0.500000 0.462347 Li\n0.000000 0.500000 0.962347 Li\n0.274322 0.725678 0.500000 Li\n0.725678 0.725678 0.500000 Li\n0.774322 0.774322 0.000000 Li\n0.225678 0.774322 0.000000 Li\n0.500000 0.000000 0.037653 Li\n0.500000 0.000000 0.537653 Li\n0.774322 0.225678 0.000000 Li\n0.225678 0.225678 0.000000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.256917 0.715703 S\n0.756917 0.500000 0.215703 S\n0.243083 0.500000 0.215703 S\n0.000000 0.743083 0.715703 S\n0.500000 0.756917 0.784297 S\n0.743083 0.000000 0.284297 S\n0.256917 0.000000 0.284297 S\n0.500000 0.243083 0.784297 S\n",
"nsites": 22,
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"elements": [
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-S",
"density": 1.9868426002092043,
"density_atomic": 0.05853635301577593,
"volume": 375.83482513970176,
"volume_molar": 10.287864634096685,
"formula_full": "Li12 Mn2 S8",
"formula_reduced": "Li6MnS4",
"formula_anonymous": "AB4C6",
"energy": -104.67016439,
"energy_per_atom": -4.757734745,
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"band_gap": 1.5491,
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"is_magnetic": true,
"total_magnetization": 9.9995234,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.420000Z",
"spacegroup": 137
},
{
"id": "mp-1188169",
"created_at": "2022-09-04T14:40:28.590644Z",
"structure_string": "Li2 Fe2 Ge4 O12\n1.0\n4.377637 5.111297 0.000000\n-4.377637 5.111297 0.000000\n0.000000 1.923820 5.263786\nLi Fe Ge O\n2 2 4 12\ndirect\n0.280169 0.719831 0.750000 Li\n0.719831 0.280169 0.250000 Li\n0.906327 0.093673 0.750000 Fe\n0.093673 0.906327 0.250000 Fe\n0.803937 0.617239 0.748168 Ge\n0.382761 0.196063 0.751832 Ge\n0.196063 0.382761 0.251832 Ge\n0.617239 0.803937 0.248168 Ge\n0.986153 0.804716 0.643412 O\n0.195284 0.013847 0.856588 O\n0.013847 0.195284 0.356588 O\n0.804716 0.986153 0.143412 O\n0.918093 0.365137 0.794990 O\n0.634863 0.081907 0.705010 O\n0.081907 0.634863 0.205010 O\n0.365137 0.918093 0.294990 O\n0.614208 0.659142 0.566368 O\n0.340858 0.385792 0.933632 O\n0.385792 0.340858 0.433632 O\n0.659142 0.614208 0.066368 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ge",
"O"
],
"chemical_system": "Fe-Ge-Li-O",
"density": 4.286893836350532,
"density_atomic": 0.08490453970829953,
"volume": 235.55866469228351,
"volume_molar": 7.092837180072867,
"formula_full": "Li2 Fe2 Ge4 O12",
"formula_reduced": "LiFe(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -139.90370160999998,
"energy_per_atom": -6.995185080499999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -127.14770161,
"band_gap": 2.0351,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9995251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.222000Z",
"spacegroup": 15
},
{
"id": "mp-1100675",
"created_at": "2022-09-04T14:41:45.736330Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.448647 9.752443 0.000000\n-1.448647 9.752443 0.000000\n0.000000 0.955653 10.170679\nLi Mn Co O\n9 2 5 16\ndirect\n0.366535 0.366535 0.930752 Li\n0.133334 0.133334 0.817649 Li\n0.871861 0.871861 0.688612 Li\n0.627796 0.627796 0.562116 Li\n0.374612 0.374612 0.439903 Li\n0.127394 0.127394 0.318882 Li\n0.867124 0.867124 0.189075 Li\n0.629859 0.629859 0.061284 Li\n0.751829 0.751829 0.873767 Li\n0.997257 0.997257 0.998756 Mn\n0.252407 0.252407 0.632257 Mn\n0.501500 0.501500 0.743014 Co\n0.002703 0.002703 0.502457 Co\n0.750657 0.750657 0.370020 Co\n0.499004 0.499004 0.253309 Co\n0.245006 0.245006 0.106474 Co\n0.442045 0.442045 0.079386 O\n0.187361 0.187361 0.977758 O\n0.945247 0.945247 0.847450 O\n0.695217 0.695217 0.707978 O\n0.443024 0.443024 0.586949 O\n0.196232 0.196232 0.471960 O\n0.944768 0.944768 0.336911 O\n0.692557 0.692557 0.217773 O\n0.308868 0.308868 0.766758 O\n0.060902 0.060902 0.660947 O\n0.806043 0.806043 0.539055 O\n0.559831 0.559831 0.409859 O\n0.308624 0.308624 0.289649 O\n0.048925 0.048925 0.157272 O\n0.806756 0.806756 0.040113 O\n0.554723 0.554723 0.921853 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.177652761565679,
"density_atomic": 0.11135097983900412,
"volume": 287.3795995892172,
"volume_molar": 5.408251250870951,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.21075501,
"energy_per_atom": -6.5065860940625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -185.69275501,
"band_gap": 0.0562,
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"is_magnetic": true,
"total_magnetization": 9.9995254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.350000Z",
"spacegroup": 8
},
{
"id": "mp-1201453",
"created_at": "2022-09-04T14:47:59.605739Z",
"structure_string": "Mn2 Zn2 H44 C10 N20 Cl8 O12\n1.0\n7.820631 0.000000 0.000000\n-2.651868 12.245170 0.000000\n-3.086507 -5.430898 12.432448\nMn Zn H C N Cl O\n2 2 44 10 20 8 12\ndirect\n0.972573 0.773999 0.749275 Mn\n0.027427 0.226001 0.250725 Mn\n0.538215 0.277832 0.699424 Zn\n0.461785 0.722168 0.300576 Zn\n0.022252 0.785807 0.383920 H\n0.977748 0.214193 0.616080 H\n0.889572 0.862003 0.449984 H\n0.110428 0.137997 0.550016 H\n0.222238 0.719015 0.601360 H\n0.777762 0.280985 0.398640 H\n0.218833 0.706541 0.471549 H\n0.781167 0.293459 0.528451 H\n0.470922 0.909853 0.810801 H\n0.529078 0.090147 0.189199 H\n0.475494 0.000591 0.741380 H\n0.524506 0.999409 0.258620 H\n0.796377 0.910085 0.623801 H\n0.203623 0.089915 0.376199 H\n0.647629 0.997742 0.633801 H\n0.352371 0.002258 0.366199 H\n0.483025 0.556871 0.768891 H\n0.516975 0.443129 0.231109 H\n0.530040 0.692345 0.754745 H\n0.469960 0.307655 0.245255 H\n0.030841 0.545932 0.775407 H\n0.969159 0.454068 0.224593 H\n0.193733 0.469448 0.773057 H\n0.806267 0.530552 0.226943 H\n0.278079 0.114067 0.062502 H\n0.721921 0.885933 0.937498 H\n0.339227 0.219126 0.012968 H\n0.660773 0.780874 0.987032 H\n0.141022 0.022500 0.739825 H\n0.858978 0.977500 0.260175 H\n0.273827 0.168510 0.830699 H\n0.726173 0.831490 0.169301 H\n0.933634 0.620045 0.054455 H\n0.066366 0.379955 0.945545 H\n0.774424 0.540473 0.924976 H\n0.225576 0.459527 0.075024 H\n0.162521 0.792488 0.090113 H\n0.837479 0.207512 0.909887 H\n0.168631 0.847159 0.989142 H\n0.831369 0.152841 0.010858 H\n0.723243 0.539574 0.611597 H\n0.276757 0.460426 0.388403 H\n0.731143 0.618689 0.544932 H\n0.268857 0.381311 0.455068 H\n0.056422 0.800517 0.539486 C\n0.943578 0.199483 0.460514 C\n0.664288 0.910452 0.734796 C\n0.335712 0.089548 0.265204 C\n0.269785 0.630683 0.760783 C\n0.730215 0.369317 0.239217 C\n0.211931 0.047642 0.898588 C\n0.788069 0.952358 0.101412 C\n0.964608 0.691324 0.942581 C\n0.035392 0.308676 0.057419 C\n0.986528 0.819129 0.451446 N\n0.013472 0.180871 0.548554 N\n0.179068 0.739621 0.537397 N\n0.820932 0.260379 0.462603 N\n0.545689 0.958651 0.780139 N\n0.454311 0.041349 0.219861 N\n0.716205 0.949115 0.663499 N\n0.283795 0.050885 0.336501 N\n0.443712 0.628704 0.767081 N\n0.556288 0.371296 0.232919 N\n0.149987 0.536502 0.761485 N\n0.850013 0.463498 0.238515 N\n0.304028 0.131473 0.999905 N\n0.695972 0.868527 0.000095 N\n0.206113 0.082964 0.816945 N\n0.793887 0.917036 0.183055 N\n0.879101 0.614359 0.978558 N\n0.120899 0.385641 0.021442 N\n0.116835 0.781335 0.011873 N\n0.883165 0.218665 0.988127 N\n0.510436 0.371173 0.581716 Cl\n0.489564 0.628827 0.418284 Cl\n0.373109 0.080767 0.608181 Cl\n0.626891 0.919233 0.391819 Cl\n0.845603 0.292962 0.759816 Cl\n0.154397 0.707038 0.240184 Cl\n0.441104 0.367911 0.839736 Cl\n0.558896 0.632089 0.160264 Cl\n0.007915 0.841404 0.623515 O\n0.992085 0.158596 0.376485 O\n0.726944 0.836297 0.764395 O\n0.273056 0.163703 0.235605 O\n0.223145 0.720299 0.753698 O\n0.776855 0.279701 0.246302 O\n0.140393 0.939797 0.883506 O\n0.859607 0.060203 0.116494 O\n0.899505 0.677257 0.845025 O\n0.100495 0.322743 0.154975 O\n0.803488 0.608523 0.606821 O\n0.196512 0.391477 0.393179 O\n",
"nsites": 98,
"nelements": 7,
"elements": [
"Mn",
"Zn",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-Mn-N-O-Zn",
"density": 1.6191277305227554,
"density_atomic": 0.08231193482561111,
"volume": 1190.5928369637545,
"volume_molar": 7.316242502085164,
"formula_full": "Mn2 Zn2 H44 C10 N20 Cl8 O12",
"formula_reduced": "MnZnH22C5N10(Cl2O3)2",
"formula_anonymous": "ABC4D5E6F10G22",
"energy": -589.02075794,
"energy_per_atom": -6.010415897346938,
"energy_above_hull": null,
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"energy_uncorrected": -565.30875794,
"band_gap": 4.0945,
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"is_magnetic": true,
"total_magnetization": 9.9995307,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.223000Z",
"spacegroup": 2
},
{
"id": "mp-1174821",
"created_at": "2022-09-04T14:47:10.650403Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n2.932229 0.000000 0.000000\n-0.283623 5.968336 0.000000\n-1.250088 -1.420219 10.218407\nLi Mn Co O\n6 3 1 10\ndirect\n0.990286 0.487090 0.981856 Li\n0.604119 0.298199 0.201496 Li\n0.400489 0.700958 0.800496 Li\n0.808655 0.909584 0.612727 Li\n0.197395 0.103061 0.400677 Li\n0.399531 0.200165 0.798689 Li\n0.989107 0.004862 0.990952 Mn\n0.808681 0.396639 0.607009 Mn\n0.596726 0.799747 0.202799 Mn\n0.211968 0.596201 0.400949 Co\n0.511278 0.221477 0.999810 O\n0.054744 0.037344 0.192362 O\n0.888053 0.450408 0.784854 O\n0.317888 0.620829 0.591608 O\n0.667854 0.834980 0.399423 O\n0.476318 0.778440 0.004773 O\n0.137067 0.559548 0.208478 O\n0.909947 0.952826 0.813348 O\n0.286518 0.180815 0.599003 O\n0.743374 0.366826 0.408691 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9500200669072605,
"density_atomic": 0.11183961147108269,
"volume": 178.82751680670145,
"volume_molar": 5.384622389856109,
"formula_full": "Li6 Mn3 Co1 O10",
"formula_reduced": "Li6Mn3CoO10",
"formula_anonymous": "AB3C6D10",
"energy": -135.94903721999998,
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"updated_at": "2021-11-28T01:37:57.235000Z",
"spacegroup": 1
},
{
"id": "mp-1105566",
"created_at": "2022-09-04T14:45:04.913591Z",
"structure_string": "K2 La2 Mn2 W2 O12\n1.0\n5.727395 0.000000 -0.047649\n0.000000 5.762253 0.000000\n0.003748 0.000000 8.263775\nK La Mn W O\n2 2 2 2 12\ndirect\n0.243106 0.757695 0.000738 K\n0.756894 0.257695 0.999262 K\n0.249290 0.807666 0.499934 La\n0.750710 0.307666 0.500066 La\n0.746239 0.775169 0.244066 Mn\n0.253761 0.275169 0.755934 Mn\n0.757545 0.769268 0.750344 W\n0.242455 0.269268 0.249656 W\n0.542318 0.027519 0.693224 O\n0.457682 0.527519 0.306776 O\n0.510781 0.059061 0.307471 O\n0.489219 0.559061 0.692529 O\n0.978750 0.472008 0.246034 O\n0.021250 0.972008 0.753966 O\n0.950043 0.493900 0.756917 O\n0.049957 0.993900 0.243083 O\n0.825746 0.746826 0.505480 O\n0.174254 0.246826 0.494520 O\n0.707370 0.774277 0.974629 O\n0.292630 0.274277 0.025371 O\n",
"nsites": 20,
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"elements": [
"K",
"La",
"Mn",
"W",
"O"
],
"chemical_system": "K-La-Mn-O-W",
"density": 6.244232680192061,
"density_atomic": 0.07333316246928251,
"volume": 272.7279081735704,
"volume_molar": 8.212029261007979,
"formula_full": "K2 La2 Mn2 W2 O12",
"formula_reduced": "KLaMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -169.47981394,
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"energy_above_hull": null,
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"energy_uncorrected": -149.02381394,
"band_gap": 2.4917,
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"updated_at": "2021-11-28T01:36:48.252000Z",
"spacegroup": 4
},
{
"id": "mp-1042578",
"created_at": "2022-09-04T14:44:00.097851Z",
"structure_string": "Zn2 W4 O8\n1.0\n3.291812 0.000000 0.000000\n1.391172 7.463085 0.000000\n1.388745 0.936686 7.683931\nZn W O\n2 4 8\ndirect\n0.312675 0.948049 0.875883 Zn\n0.687190 0.066721 0.092096 Zn\n0.356138 0.825134 0.452839 W\n0.853885 0.509574 0.798086 W\n0.164743 0.512875 0.168765 W\n0.657803 0.197426 0.514280 W\n0.161970 0.329632 0.377052 O\n0.581128 0.652802 0.249677 O\n0.435000 0.370540 0.717058 O\n0.852134 0.693109 0.589816 O\n0.828440 0.993453 0.331419 O\n0.251027 0.652510 0.910382 O\n0.185259 0.029285 0.635421 O\n0.767164 0.372091 0.055783 O\n",
"nsites": 14,
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"elements": [
"Zn",
"W",
"O"
],
"chemical_system": "O-W-Zn",
"density": 8.745291311563706,
"density_atomic": 0.07416366222414603,
"volume": 188.77169195997328,
"volume_molar": 8.120069289187995,
"formula_full": "Zn2 W4 O8",
"formula_reduced": "Zn(WO2)2",
"formula_anonymous": "AB2C4",
"energy": -116.2073105,
"energy_per_atom": -8.300522178571429,
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"updated_at": "2021-11-28T01:36:28.845000Z",
"spacegroup": 1
},
{
"id": "mp-1219757",
"created_at": "2022-09-04T14:44:12.783710Z",
"structure_string": "Rb6 Mo4 Cl16\n1.0\n3.645153 -6.401092 0.000000\n3.645153 6.401092 0.000000\n0.000000 0.000000 17.597284\nRb Mo Cl\n6 4 16\ndirect\n0.002438 0.000178 0.250000 Rb\n0.000178 0.002438 0.750000 Rb\n0.336083 0.669625 0.934688 Rb\n0.336083 0.669625 0.565312 Rb\n0.669625 0.336083 0.434688 Rb\n0.669625 0.336083 0.065312 Rb\n0.325929 0.648957 0.325940 Mo\n0.325929 0.648957 0.174060 Mo\n0.648957 0.325929 0.825940 Mo\n0.648957 0.325929 0.674060 Mo\n0.184158 0.351060 0.414947 Cl\n0.184254 0.833457 0.392813 Cl\n0.652639 0.856704 0.393066 Cl\n0.184158 0.351060 0.085053 Cl\n0.184254 0.833457 0.107187 Cl\n0.652639 0.856704 0.106934 Cl\n0.856704 0.652639 0.893066 Cl\n0.351060 0.184158 0.914947 Cl\n0.833457 0.184254 0.892813 Cl\n0.856704 0.652639 0.606934 Cl\n0.351060 0.184158 0.585053 Cl\n0.833457 0.184254 0.607187 Cl\n0.489720 0.481408 0.250000 Cl\n0.992547 0.456915 0.250000 Cl\n0.456915 0.992547 0.750000 Cl\n0.481408 0.489720 0.750000 Cl\n",
"nsites": 26,
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"elements": [
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"Mo",
"Cl"
],
"chemical_system": "Cl-Mo-Rb",
"density": 2.9599867120144863,
"density_atomic": 0.03166123695939294,
"volume": 821.1934370519463,
"volume_molar": 19.020547958134692,
"formula_full": "Rb6 Mo4 Cl16",
"formula_reduced": "Rb3(MoCl4)2",
"formula_anonymous": "A2B3C8",
"energy": -121.35975246,
"energy_per_atom": -4.667682786923077,
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"energy_uncorrected": -111.53575245999998,
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{
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{
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"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.572019 0.000000 0.000000\n-2.206391 -6.641050 0.000000\n-0.060451 0.015457 -8.404293\nLi Mn O F\n12 2 4 8\ndirect\n0.972861 0.015333 0.344584 Li\n0.584317 0.176607 0.144660 Li\n0.331022 0.321580 0.317567 Li\n0.697469 0.171313 0.783169 Li\n0.607731 0.671505 0.322968 Li\n0.987997 0.512939 0.845238 Li\n0.012003 0.487061 0.154762 Li\n0.392269 0.328495 0.677032 Li\n0.302531 0.828687 0.216831 Li\n0.668978 0.678420 0.682433 Li\n0.415683 0.823393 0.855340 Li\n0.027139 0.984667 0.655416 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.229241 0.080579 0.188697 O\n0.750737 0.428422 0.676322 O\n0.249263 0.571578 0.323678 O\n0.770759 0.919421 0.811303 O\n0.694268 0.426556 0.273617 F\n0.859300 0.290353 0.993576 F\n0.863445 0.792756 0.485833 F\n0.672254 0.932698 0.210701 F\n0.327746 0.067302 0.789299 F\n0.136555 0.207244 0.514167 F\n0.140700 0.709647 0.006424 F\n0.305732 0.573444 0.726383 F\n",
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{
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"structure_string": "Sr8 Fe2 Ru2 O13\n1.0\n6.456007 5.917031 0.000000\n-6.456007 5.917031 0.000000\n0.000000 2.262765 4.955403\nSr Fe Ru O\n8 2 2 13\ndirect\n0.776424 0.474124 0.630525 Sr\n0.019635 0.731976 0.869099 Sr\n0.268024 0.980365 0.130901 Sr\n0.525876 0.223576 0.369475 Sr\n0.731976 0.019635 0.869099 Sr\n0.980365 0.268024 0.130901 Sr\n0.223576 0.525876 0.369475 Sr\n0.474124 0.776424 0.630525 Sr\n0.873187 0.873187 0.375413 Fe\n0.126813 0.126813 0.624587 Fe\n0.379805 0.379805 0.864150 Ru\n0.620195 0.620195 0.135850 Ru\n0.980715 0.295153 0.638499 O\n0.215791 0.536071 0.874509 O\n0.463929 0.784209 0.125491 O\n0.704847 0.019285 0.361501 O\n0.536071 0.215791 0.874509 O\n0.784209 0.463929 0.125491 O\n0.019285 0.704847 0.361501 O\n0.295153 0.980715 0.638499 O\n0.500000 0.500000 0.500000 O\n0.736201 0.736201 0.747491 O\n0.000000 0.000000 0.000000 O\n0.263799 0.263799 0.252509 O\n0.000000 0.000000 0.500000 O\n",
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}