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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=11559",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=11557",
"results": [
{
"id": "mp-863405",
"created_at": "2022-09-04T14:41:47.249710Z",
"structure_string": "Mn8 Pb1 O16\n1.0\n5.954159 0.000000 0.000000\n1.500348 7.009398 0.000000\n1.481996 0.048652 7.049280\nMn Pb O\n8 1 16\ndirect\n0.575314 0.520240 0.183674 Mn\n0.075775 0.514322 0.185090 Mn\n0.167388 0.815920 0.513266 Mn\n0.666817 0.818411 0.521218 Mn\n0.334492 0.183720 0.480392 Mn\n0.833029 0.181885 0.485553 Mn\n0.429131 0.480253 0.815075 Mn\n0.924932 0.485617 0.816844 Mn\n0.092626 0.000505 0.998365 Pb\n0.831987 0.643912 0.048428 O\n0.321134 0.650113 0.052515 O\n0.979985 0.704314 0.379500 O\n0.479388 0.705689 0.381741 O\n0.858898 0.953181 0.644122 O\n0.338631 0.959077 0.649036 O\n0.336694 0.376671 0.286798 O\n0.834437 0.371452 0.285632 O\n0.166387 0.626868 0.714023 O\n0.666722 0.624967 0.713489 O\n0.145123 0.041383 0.346341 O\n0.652919 0.045963 0.360406 O\n0.020174 0.293717 0.621349 O\n0.524769 0.295631 0.617412 O\n0.172539 0.347624 0.947824 O\n0.677808 0.358566 0.951903 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Mn",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb",
"density": 5.094999074795752,
"density_atomic": 0.084975572504412,
"volume": 294.202195562754,
"volume_molar": 7.086908134319808,
"formula_full": "Mn8 Pb1 O16",
"formula_reduced": "Mn8PbO16",
"formula_anonymous": "AB8C16",
"energy": -202.45675038,
"energy_per_atom": -8.098270015199999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -178.12075038,
"band_gap": 0.1051999999999999,
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"total_magnetization": 26.0014378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.921000Z",
"spacegroup": 1
},
{
"id": "mp-1100543",
"created_at": "2022-09-04T14:47:09.367042Z",
"structure_string": "Li9 Mn7 O16\n1.0\n6.072345 0.000000 0.000000\n-2.564825 -5.997306 0.000000\n-2.923516 0.057599 -8.205234\nLi Mn O\n9 7 16\ndirect\n0.745957 0.760708 0.240230 Li\n0.252473 0.998621 0.503120 Li\n0.251949 0.748569 0.246292 Li\n0.747527 0.001379 0.496880 Li\n0.748051 0.251431 0.753708 Li\n0.254043 0.239292 0.759770 Li\n0.235373 0.491190 0.001327 Li\n0.764627 0.508810 0.998673 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.493507 0.243933 0.246860 Mn\n0.000000 0.500000 0.500000 Mn\n0.506493 0.756067 0.753140 Mn\n0.983923 0.241691 0.247245 Mn\n0.500000 0.500000 0.500000 Mn\n0.016077 0.758309 0.752755 Mn\n0.098495 0.000739 0.236787 O\n0.605338 0.256734 0.489691 O\n0.631954 0.022092 0.249976 O\n0.107515 0.258066 0.487593 O\n0.112421 0.507545 0.742014 O\n0.627353 0.516455 0.741308 O\n0.662296 0.775975 0.988021 O\n0.112487 0.760511 0.988763 O\n0.372647 0.483545 0.258692 O\n0.892485 0.741934 0.512407 O\n0.887579 0.492455 0.257986 O\n0.394662 0.743266 0.510309 O\n0.368046 0.977908 0.750024 O\n0.901505 0.999261 0.763213 O\n0.887513 0.239489 0.011237 O\n0.337704 0.224025 0.011979 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.906759626072673,
"density_atomic": 0.10708936934666774,
"volume": 298.8158413409849,
"volume_molar": 5.6234720558538696,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.78080278,
"energy_per_atom": -7.149400086875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.11280278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.001451,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.590000Z",
"spacegroup": 2
},
{
"id": "mp-1100556",
"created_at": "2022-09-04T14:41:30.045701Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.089069 0.000000 0.000000\n-1.336093 6.833531 0.000000\n-0.553552 -1.659470 8.552941\nLi Mn O\n9 7 16\ndirect\n0.258002 0.315758 0.692981 Li\n0.250218 0.561737 0.433370 Li\n0.731957 0.209704 0.814488 Li\n0.749782 0.438263 0.566630 Li\n0.260229 0.056231 0.938460 Li\n0.268043 0.790296 0.185512 Li\n0.741998 0.684242 0.307019 Li\n0.739771 0.943769 0.061540 Li\n0.500000 0.500000 0.000000 Li\n0.999740 0.613080 0.877583 Mn\n0.000260 0.386920 0.122417 Mn\n0.003665 0.872248 0.627580 Mn\n0.996335 0.127752 0.372420 Mn\n0.504252 0.736204 0.756278 Mn\n0.500000 0.000000 0.500000 Mn\n0.495748 0.263796 0.243722 Mn\n0.139371 0.593115 0.673309 O\n0.138347 0.850979 0.419770 O\n0.651518 0.473917 0.789155 O\n0.640985 0.723844 0.549759 O\n0.103797 0.368360 0.912798 O\n0.117130 0.132958 0.157959 O\n0.638405 0.970105 0.292563 O\n0.638749 0.222642 0.044540 O\n0.361595 0.029895 0.707437 O\n0.359015 0.276156 0.450241 O\n0.882870 0.867042 0.842041 O\n0.861653 0.149021 0.580230 O\n0.361251 0.777358 0.955460 O\n0.348482 0.526083 0.210845 O\n0.860629 0.406885 0.326691 O\n0.896203 0.631640 0.087202 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.92483427804389,
"density_atomic": 0.10758481909684957,
"volume": 297.4397342360458,
"volume_molar": 5.597574834957685,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -229.03346705,
"energy_per_atom": -7.1572958453125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -206.36546705,
"band_gap": 0.8506,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0014752,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.173000Z",
"spacegroup": 2
},
{
"id": "mp-757052",
"created_at": "2022-09-04T14:43:16.265873Z",
"structure_string": "Mn2 Fe3 P6 W1 O24\n1.0\n7.520626 -4.345872 0.000000\n7.520626 4.345872 0.000000\n5.009318 0.000000 7.095996\nMn Fe P W O\n2 3 6 1 24\ndirect\n0.995469 0.995469 0.995469 Mn\n0.499414 0.499414 0.499414 Mn\n0.644721 0.644721 0.644721 Fe\n0.853787 0.853787 0.853787 Fe\n0.355331 0.355331 0.355331 Fe\n0.955624 0.253299 0.547194 P\n0.547194 0.955624 0.253299 P\n0.253299 0.547194 0.955624 P\n0.745390 0.462250 0.042943 P\n0.462250 0.042943 0.745390 P\n0.042943 0.745390 0.462250 P\n0.143678 0.143678 0.143678 W\n0.502430 0.112557 0.315083 O\n0.315083 0.502430 0.112557 O\n0.112557 0.315083 0.502430 O\n0.941105 0.087050 0.735355 O\n0.999109 0.184885 0.387211 O\n0.763799 0.413499 0.553715 O\n0.735355 0.941105 0.087050 O\n0.553715 0.763799 0.413499 O\n0.813105 0.612717 0.004283 O\n0.413499 0.553715 0.763799 O\n0.912750 0.262484 0.065039 O\n0.612717 0.004283 0.813105 O\n0.387211 0.999109 0.184885 O\n0.087050 0.735355 0.941105 O\n0.588359 0.438392 0.237698 O\n0.184885 0.387211 0.999109 O\n0.438392 0.237698 0.588359 O\n0.262484 0.065039 0.912750 O\n0.237698 0.588359 0.438392 O\n0.004283 0.813105 0.612717 O\n0.065039 0.912750 0.262484 O\n0.883350 0.696255 0.490658 O\n0.696255 0.490658 0.883350 O\n0.490658 0.883350 0.696255 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Mn",
"Fe",
"P",
"W",
"O"
],
"chemical_system": "Fe-Mn-O-P-W",
"density": 3.691193982881031,
"density_atomic": 0.07761188303504367,
"volume": 463.8464960803118,
"volume_molar": 7.759302473412294,
"formula_full": "Mn2 Fe3 P6 W1 O24",
"formula_reduced": "Mn2Fe3P6WO24",
"formula_anonymous": "AB2C3D6E24",
"energy": -295.3444121,
"energy_per_atom": -8.204011447222221,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.3144121,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 26.0015197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.920000Z",
"spacegroup": 146
},
{
"id": "mp-780123",
"created_at": "2022-09-04T14:44:18.077790Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n5.759308 0.000000 0.000000\n-1.502389 7.988446 0.000000\n-2.409758 -3.652956 8.086811\nLi Mn B O\n2 6 6 18\ndirect\n0.833874 0.153376 0.268288 Li\n0.166126 0.846624 0.731712 Li\n0.255235 0.502950 0.628954 Mn\n0.438766 0.177345 0.678547 Mn\n0.744765 0.497050 0.371046 Mn\n0.561234 0.822655 0.321453 Mn\n0.893985 0.153999 0.945700 Mn\n0.106015 0.846001 0.054300 Mn\n0.099234 0.852865 0.396615 B\n0.565792 0.828165 0.968907 B\n0.434208 0.171835 0.031093 B\n0.900766 0.147135 0.603385 B\n0.799311 0.537346 0.726784 B\n0.200689 0.462654 0.273216 B\n0.459755 0.764007 0.803816 O\n0.080689 0.409375 0.369538 O\n0.818102 0.949289 0.055279 O\n0.204210 0.927729 0.565430 O\n0.854470 0.732824 0.315329 O\n0.566534 0.196025 0.928498 O\n0.919311 0.590625 0.630462 O\n0.145530 0.267176 0.684671 O\n0.540245 0.235993 0.196184 O\n0.795790 0.072271 0.434570 O\n0.181898 0.050711 0.944721 O\n0.433466 0.803975 0.071502 O\n0.759133 0.110403 0.696985 O\n0.429848 0.605070 0.356157 O\n0.109809 0.386943 0.106137 O\n0.570152 0.394930 0.643843 O\n0.240867 0.889597 0.303015 O\n0.890191 0.613057 0.893863 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.1079671790991,
"density_atomic": 0.08600824316674047,
"volume": 372.05736126900047,
"volume_molar": 7.0018181261127905,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.76219099,
"energy_per_atom": -8.2738184684375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -242.38819099,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 26.0015276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.230000Z",
"spacegroup": 2
},
{
"id": "mp-1199879",
"created_at": "2022-09-04T14:47:04.571599Z",
"structure_string": "Hg2 C12 N24 Cl6\n1.0\n7.176172 0.000000 0.000000\n0.000000 9.823765 0.000000\n0.000000 2.135413 12.239738\nHg C N Cl\n2 12 24 6\ndirect\n0.737057 0.007653 0.245373 Hg\n0.237057 0.992347 0.754627 Hg\n0.328556 0.376255 0.422155 C\n0.828556 0.623745 0.577845 C\n0.314965 0.376836 0.237976 C\n0.814965 0.623164 0.762024 C\n0.377963 0.577051 0.302193 C\n0.877963 0.422949 0.697807 C\n0.885122 0.592248 0.172323 C\n0.385122 0.407752 0.827677 C\n0.821627 0.392365 0.291388 C\n0.321627 0.607635 0.708612 C\n0.813895 0.394558 0.106655 C\n0.313895 0.605442 0.893345 C\n0.781456 0.321996 0.208648 N\n0.281456 0.678004 0.791352 N\n0.367000 0.513524 0.408561 N\n0.867000 0.486476 0.591439 N\n0.362597 0.512840 0.213385 N\n0.862597 0.487160 0.786615 N\n0.410431 0.714786 0.282534 N\n0.910431 0.285214 0.717466 N\n0.876920 0.526960 0.278295 N\n0.376920 0.473040 0.721705 N\n0.292838 0.303203 0.340622 N\n0.792838 0.696797 0.659378 N\n0.801906 0.322405 0.394654 N\n0.301906 0.677595 0.605346 N\n0.863837 0.530195 0.083339 N\n0.363837 0.469805 0.916661 N\n0.791900 0.325247 0.022170 N\n0.291900 0.674753 0.977830 N\n0.321435 0.305695 0.525976 N\n0.821435 0.694305 0.474024 N\n0.282883 0.309215 0.153480 N\n0.782883 0.690785 0.846520 N\n0.919121 0.730073 0.154810 N\n0.419121 0.269927 0.845190 N\n0.562081 0.012658 0.082892 Cl\n0.062081 0.987342 0.917108 Cl\n0.563146 0.009382 0.416279 Cl\n0.063146 0.990618 0.583721 Cl\n0.063566 0.007688 0.286174 Cl\n0.563566 0.992312 0.713826 Cl\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Hg",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Hg-N",
"density": 2.1057063248442627,
"density_atomic": 0.05099290461814335,
"volume": 862.8651442684193,
"volume_molar": 11.809762172004838,
"formula_full": "Hg2 C12 N24 Cl6",
"formula_reduced": "HgC6(N4Cl)3",
"formula_anonymous": "AB3C6D12",
"energy": -288.58987541,
"energy_per_atom": -6.558860804772727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -276.24187541,
"band_gap": 0.0283999999999999,
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"is_magnetic": true,
"total_magnetization": 26.0015447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.562000Z",
"spacegroup": 4
},
{
"id": "mp-752417",
"created_at": "2022-09-04T14:43:54.073358Z",
"structure_string": "Li4 Mn6 Cr2 O16\n1.0\n2.942341 -5.096285 0.000000\n2.942341 5.096285 0.000000\n0.000000 0.000000 9.444478\nLi Mn Cr O\n4 6 2 16\ndirect\n0.333333 0.666667 0.892155 Li\n0.000000 0.000000 0.997777 Li\n0.000000 0.000000 0.497777 Li\n0.666667 0.333333 0.392155 Li\n0.170723 0.829277 0.214873 Mn\n0.170723 0.341446 0.214873 Mn\n0.658554 0.829277 0.214873 Mn\n0.341446 0.170723 0.714873 Mn\n0.829277 0.658554 0.714873 Mn\n0.829277 0.170723 0.714873 Mn\n0.333333 0.666667 0.488451 Cr\n0.666667 0.333333 0.988451 Cr\n0.161800 0.838200 0.602402 O\n0.039863 0.519932 0.337845 O\n0.333333 0.666667 0.101108 O\n0.000000 0.000000 0.308742 O\n0.000000 0.000000 0.808742 O\n0.161800 0.323601 0.602402 O\n0.480068 0.960137 0.337845 O\n0.480068 0.519932 0.337845 O\n0.323601 0.161800 0.102402 O\n0.676399 0.838200 0.602402 O\n0.519932 0.480068 0.837845 O\n0.519932 0.039863 0.837845 O\n0.666667 0.333333 0.601108 O\n0.838200 0.676399 0.102402 O\n0.960137 0.480068 0.837845 O\n0.838200 0.161800 0.102402 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.205722278239372,
"density_atomic": 0.09885607560267395,
"volume": 283.24005205849613,
"volume_molar": 6.091826651307113,
"formula_full": "Li4 Mn6 Cr2 O16",
"formula_reduced": "Li2Mn3CrO8",
"formula_anonymous": "AB2C3D8",
"energy": -219.6554223,
"energy_per_atom": -7.844836510714286,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -194.6574223,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 26.0015691,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.665000Z",
"spacegroup": 186
},
{
"id": "mp-861258",
"created_at": "2022-09-04T14:45:59.615472Z",
"structure_string": "Mn6 Si6 O20\n1.0\n2.475777 7.853992 0.000000\n-2.475777 7.853992 0.000000\n0.000000 0.277916 10.213120\nMn Si O\n6 6 20\ndirect\n0.627393 0.065355 0.773424 Mn\n0.500000 0.000000 0.500000 Mn\n0.934645 0.372607 0.726576 Mn\n0.000000 0.500000 0.000000 Mn\n0.065355 0.627393 0.273424 Mn\n0.372607 0.934645 0.226576 Mn\n0.812796 0.187204 0.250000 Si\n0.552056 0.157358 0.089360 Si\n0.157358 0.552056 0.589360 Si\n0.187204 0.812796 0.750000 Si\n0.842642 0.447944 0.410640 Si\n0.447944 0.842642 0.910640 Si\n0.554618 0.337735 0.152106 O\n0.428781 0.248384 0.940259 O\n0.296373 0.268415 0.175136 O\n0.182021 0.135274 0.392848 O\n0.078684 0.058922 0.664238 O\n0.058922 0.078684 0.164238 O\n0.135274 0.182021 0.892848 O\n0.268415 0.296373 0.675136 O\n0.248384 0.428781 0.440259 O\n0.337735 0.554618 0.652106 O\n0.662265 0.445382 0.347894 O\n0.751616 0.571219 0.559741 O\n0.731585 0.703627 0.324864 O\n0.864726 0.817979 0.107152 O\n0.941078 0.921316 0.835762 O\n0.921316 0.941078 0.335762 O\n0.817979 0.864726 0.607152 O\n0.703627 0.731585 0.824864 O\n0.571219 0.751616 0.059741 O\n0.445382 0.662265 0.847894 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si",
"density": 3.4204293083034303,
"density_atomic": 0.08056744093304874,
"volume": 397.18277792380036,
"volume_molar": 7.4746581128279574,
"formula_full": "Mn6 Si6 O20",
"formula_reduced": "Mn3Si3O10",
"formula_anonymous": "A3B3C10",
"energy": -271.8489957,
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{
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{
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"formula_full": "Mn6 O4 F8",
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{
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"structure_string": "Na1 Mn7 O12\n1.0\n-3.723104 3.723104 3.723104\n3.723104 -3.723104 3.723104\n3.723104 3.723104 -3.723104\nNa Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.814819 0.129133 0.314314 O\n0.814819 0.500505 0.685686 O\n0.870867 0.685686 0.185181 O\n0.499495 0.314314 0.185181 O\n0.314314 0.814819 0.129133 O\n0.185181 0.870867 0.685686 O\n0.685686 0.814819 0.500505 O\n0.185181 0.499495 0.314314 O\n0.129133 0.314314 0.814819 O\n0.314314 0.185181 0.499495 O\n0.685686 0.185181 0.870867 O\n0.500505 0.685686 0.814819 O\n",
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{
"id": "mp-849514",
"created_at": "2022-09-04T14:48:25.550184Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n-5.345748 0.000000 0.000000\n2.485785 5.400524 0.000000\n-0.026089 -0.888011 -12.813910\nLi Mn B O\n2 6 6 18\ndirect\n0.803346 0.932244 0.261719 Li\n0.196654 0.067756 0.738281 Li\n0.244655 0.857064 0.124411 Mn\n0.416486 0.434507 0.193021 Mn\n0.102070 0.782438 0.527981 Mn\n0.897930 0.217562 0.472019 Mn\n0.583514 0.565493 0.806979 Mn\n0.755345 0.142936 0.875589 Mn\n0.718543 0.797668 0.029292 B\n0.956812 0.565375 0.305025 B\n0.632178 0.915060 0.645020 B\n0.367822 0.084940 0.354980 B\n0.043188 0.434625 0.694975 B\n0.281457 0.202332 0.970708 B\n0.944342 0.747087 0.026025 O\n0.593908 0.806815 0.123933 O\n0.405547 0.184644 0.063966 O\n0.116974 0.574870 0.218110 O\n0.725776 0.601801 0.303131 O\n0.063429 0.533164 0.403080 O\n0.779382 0.925662 0.553658 O\n0.235257 0.087004 0.262560 O\n0.375163 0.918183 0.643811 O\n0.624837 0.081817 0.356189 O\n0.764743 0.912996 0.737440 O\n0.220618 0.074338 0.446342 O\n0.936571 0.466836 0.596920 O\n0.274224 0.398199 0.696869 O\n0.883026 0.425130 0.781890 O\n0.594453 0.815356 0.936034 O\n0.406092 0.193185 0.876067 O\n0.055658 0.252913 0.973975 O\n",
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}