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{
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"results": [
{
"id": "mp-1295192",
"created_at": "2022-09-04T14:46:27.645448Z",
"structure_string": "Li4 Mn4 C8 O24\n1.0\n2.460278 1.118735 -3.878510\n0.327694 19.170886 7.637475\n2.335664 -1.017841 3.828574\nLi Mn C O\n4 4 8 24\ndirect\n0.000369 0.999941 0.000290 Li\n0.750163 0.249954 0.250204 Li\n0.499771 0.500010 0.499911 Li\n0.250121 0.749992 0.750139 Li\n0.875148 0.625071 0.124918 Mn\n0.624470 0.875018 0.374458 Mn\n0.374948 0.124865 0.625201 Mn\n0.125282 0.375056 0.875592 Mn\n0.068274 0.183415 0.950970 C\n0.818253 0.433567 0.201008 C\n0.568220 0.683491 0.450814 C\n0.318211 0.933536 0.700964 C\n0.681609 0.066377 0.298861 C\n0.431790 0.316539 0.549152 C\n0.181855 0.566538 0.799080 C\n0.931701 0.816559 0.049013 C\n0.953194 0.062728 0.308064 O\n0.703230 0.312737 0.558137 O\n0.453054 0.562737 0.808091 O\n0.203055 0.812730 0.058105 O\n0.336185 0.181816 0.228825 O\n0.086003 0.432216 0.478980 O\n0.836229 0.681952 0.728673 O\n0.585960 0.932136 0.978842 O\n0.085910 0.182820 0.675256 O\n0.835718 0.432869 0.925215 O\n0.585719 0.682873 0.174982 O\n0.335693 0.932876 0.425068 O\n0.664277 0.067121 0.574679 O\n0.414283 0.317140 0.824910 O\n0.164355 0.567125 0.074866 O\n0.914172 0.817156 0.324691 O\n0.413820 0.067594 0.020845 O\n0.163940 0.318112 0.271391 O\n0.913828 0.568139 0.521186 O\n0.663773 0.818137 0.771195 O\n0.796973 0.187256 0.941878 O\n0.546780 0.437270 0.191855 O\n0.296943 0.687274 0.441860 O\n0.046719 0.937258 0.691832 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
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"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 3.072573365152582,
"density_atomic": 0.10172507008997397,
"volume": 393.2167357036051,
"volume_molar": 5.920016328987069,
"formula_full": "Li4 Mn4 C8 O24",
"formula_reduced": "LiMn(CO3)2",
"formula_anonymous": "ABC2D6",
"energy": -316.25200055000005,
"energy_per_atom": -7.906300013750001,
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"band_gap": 0.9049999999999998,
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"updated_at": "2021-11-28T01:37:35.109000Z",
"spacegroup": 2
},
{
"id": "mp-766727",
"created_at": "2022-09-04T14:44:04.696414Z",
"structure_string": "Li10 Fe22 O32\n1.0\n12.099181 0.000000 0.000000\n0.000000 6.092754 0.000000\n0.000000 6.095583 8.534584\nLi Fe O\n10 22 32\ndirect\n0.126664 0.011525 0.741365 Li\n0.626664 0.988475 0.758635 Li\n0.746023 0.508529 0.999343 Li\n0.500000 0.500000 0.000000 Li\n0.253977 0.491471 0.000657 Li\n0.873336 0.988475 0.258635 Li\n0.373336 0.011525 0.241365 Li\n0.000000 0.500000 0.500000 Li\n0.246023 0.491471 0.500657 Li\n0.753977 0.508529 0.499343 Li\n0.127883 0.506921 0.740332 Fe\n0.373801 0.495254 0.754452 Fe\n0.873801 0.504746 0.745548 Fe\n0.627883 0.493079 0.759668 Fe\n0.371640 0.989946 0.758328 Fe\n0.871640 0.010054 0.741672 Fe\n0.749205 0.005305 0.000000 Fe\n0.250795 0.994695 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.626199 0.504746 0.245548 Fe\n0.126199 0.495254 0.254452 Fe\n0.628360 0.010054 0.241672 Fe\n0.872117 0.493079 0.259668 Fe\n0.372117 0.506921 0.240332 Fe\n0.128360 0.989946 0.258328 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.750795 0.005305 0.500000 Fe\n0.249205 0.994695 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.501862 0.269868 0.746498 O\n0.249856 0.270134 0.744915 O\n0.749286 0.275340 0.745567 O\n0.000798 0.257645 0.757909 O\n0.500798 0.742355 0.742091 O\n0.001862 0.730132 0.753502 O\n0.249286 0.724660 0.754433 O\n0.749856 0.729866 0.755085 O\n0.625292 0.755082 0.011007 O\n0.120927 0.754821 0.009857 O\n0.119733 0.238880 0.999506 O\n0.624170 0.264566 0.996325 O\n0.879073 0.245179 0.990143 O\n0.880267 0.761120 0.000494 O\n0.374708 0.244918 0.988993 O\n0.375830 0.735434 0.003675 O\n0.250144 0.270134 0.244915 O\n0.998138 0.269868 0.246498 O\n0.750714 0.275340 0.245567 O\n0.499202 0.257645 0.257909 O\n0.250714 0.724660 0.254433 O\n0.999202 0.742355 0.242091 O\n0.750144 0.729866 0.255085 O\n0.498138 0.730132 0.253502 O\n0.379073 0.754821 0.509857 O\n0.875830 0.264566 0.496325 O\n0.380267 0.238880 0.499506 O\n0.874708 0.755082 0.511007 O\n0.619733 0.761120 0.500494 O\n0.125292 0.244918 0.488993 O\n0.620927 0.245179 0.490143 O\n0.124170 0.735434 0.503675 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.777174341887544,
"density_atomic": 0.10172507052220325,
"volume": 629.1467744525269,
"volume_molar": 5.920016303832951,
"formula_full": "Li10 Fe22 O32",
"formula_reduced": "Li5Fe11O16",
"formula_anonymous": "A5B11C16",
"energy": -475.84223705,
"energy_per_atom": -7.43503495390625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -404.22623705,
"band_gap": 0.5926,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 98.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.748000Z",
"spacegroup": 14
},
{
"id": "mp-973818",
"created_at": "2022-09-04T14:47:36.862766Z",
"structure_string": "Li1 Ho1 O3\n1.0\n3.663060 0.000000 0.000000\n0.000000 3.663060 0.000000\n0.000000 0.000000 3.663060\nLi Ho O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ho",
"O"
],
"chemical_system": "Ho-Li-O",
"density": 7.428173323527167,
"density_atomic": 0.10172739122597932,
"volume": 49.15097044898062,
"volume_molar": 5.919881250687234,
"formula_full": "Li1 Ho1 O3",
"formula_reduced": "LiHoO3",
"formula_anonymous": "ABC3",
"energy": -32.57309505,
"energy_per_atom": -6.51461901,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -30.51209505,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9973634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.750000Z",
"spacegroup": 221
},
{
"id": "mp-1299461",
"created_at": "2022-09-04T14:39:13.820471Z",
"structure_string": "Li6 Mn6 Co2 O16\n1.0\n-0.057286 -3.148758 4.907730\n1.712989 -5.766608 -0.003013\n8.754583 5.703445 -0.155137\nLi Mn Co O\n6 6 2 16\ndirect\n0.760994 0.242494 0.243346 Li\n0.239006 0.757519 0.756586 Li\n0.244858 0.246940 0.252715 Li\n0.755151 0.752984 0.747276 Li\n0.253296 0.756944 0.247701 Li\n0.746722 0.243096 0.752289 Li\n0.000133 0.500000 0.499994 Mn\n0.999903 0.999790 0.500024 Mn\n0.999879 0.500261 0.999948 Mn\n0.500054 0.999957 0.999940 Mn\n0.499795 0.500377 0.000041 Mn\n0.499829 0.999918 0.500057 Mn\n0.999975 0.000136 0.999990 Co\n0.500085 0.499798 0.499952 Co\n0.363994 0.400531 0.114276 O\n0.851358 0.886241 0.622529 O\n0.148932 0.113301 0.377522 O\n0.635577 0.599764 0.885653 O\n0.866246 0.344577 0.109753 O\n0.372788 0.876084 0.606279 O\n0.374603 0.857013 0.102426 O\n0.866570 0.369090 0.603941 O\n0.873958 0.874413 0.102018 O\n0.373087 0.354204 0.604776 O\n0.627285 0.645458 0.395304 O\n0.126255 0.125709 0.897960 O\n0.133548 0.630640 0.395999 O\n0.625405 0.143388 0.897641 O\n0.627130 0.123729 0.393870 O\n0.133583 0.655645 0.890198 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.195648968462428,
"density_atomic": 0.10172756189908874,
"volume": 294.9053279165313,
"volume_molar": 5.919871318624362,
"formula_full": "Li6 Mn6 Co2 O16",
"formula_reduced": "Li3Mn3CoO8",
"formula_anonymous": "AB3C3D8",
"energy": -218.20240375,
"energy_per_atom": -7.273413458333334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:38.135000Z",
"spacegroup": 2
},
{
"id": "mp-1036531",
"created_at": "2022-09-04T14:42:43.977462Z",
"structure_string": "Mg14 Ti1 Al1 O16\n1.0\n8.579803 0.000000 0.000000\n0.000000 8.579803 0.000000\n0.000000 0.000000 4.273198\nMg Ti Al O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.250047 0.000000 0.500000 Mg\n0.749953 0.000000 0.500000 Mg\n0.249649 0.500000 0.500000 Mg\n0.750351 0.500000 0.500000 Mg\n0.000000 0.250047 0.500000 Mg\n0.500000 0.249649 0.500000 Mg\n0.000000 0.749953 0.500000 Mg\n0.500000 0.750351 0.500000 Mg\n0.251580 0.251580 0.000000 Mg\n0.748420 0.251580 0.000000 Mg\n0.251580 0.748420 0.000000 Mg\n0.748420 0.748420 0.000000 Mg\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.229324 0.000000 O\n0.500000 0.236757 0.000000 O\n0.000000 0.770676 0.000000 O\n0.500000 0.763243 0.000000 O\n0.249228 0.249228 0.500000 O\n0.750772 0.249228 0.500000 O\n0.249228 0.750772 0.500000 O\n0.750772 0.750772 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.229324 0.000000 0.000000 O\n0.770676 0.000000 0.000000 O\n0.236757 0.500000 0.000000 O\n0.763243 0.500000 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Mg-O-Ti",
"density": 3.5427007719324908,
"density_atomic": 0.10172842708257576,
"volume": 314.56300778173556,
"volume_molar": 5.919820971095585,
"formula_full": "Mg14 Ti1 Al1 O16",
"formula_reduced": "Mg14TiAlO16",
"formula_anonymous": "ABC14D16",
"energy": -206.5172034,
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"updated_at": "2021-11-28T01:35:57.417000Z",
"spacegroup": 123
},
{
"id": "mp-729136",
"created_at": "2022-09-04T14:44:22.003800Z",
"structure_string": "Mn4 P12 H40 C12 N4 O36\n1.0\n8.525152 0.000000 0.000000\n0.000000 9.248456 0.000000\n0.000000 7.355867 13.465031\nMn P H C N O\n4 12 40 12 4 36\ndirect\n0.534823 0.536815 0.745602 Mn\n0.965177 0.536815 0.245602 Mn\n0.465177 0.463185 0.254398 Mn\n0.034823 0.463185 0.754398 Mn\n0.299697 0.429625 0.941998 P\n0.200303 0.429625 0.441998 P\n0.700303 0.570375 0.058002 P\n0.799697 0.570375 0.558002 P\n0.174339 0.203941 0.255297 P\n0.325661 0.203941 0.755297 P\n0.825661 0.796059 0.744703 P\n0.674339 0.796059 0.244703 P\n0.203687 0.832171 0.083358 P\n0.296313 0.832171 0.583358 P\n0.796313 0.167829 0.916642 P\n0.703687 0.167829 0.416642 P\n0.355706 0.547407 0.032055 H\n0.144294 0.547407 0.532055 H\n0.644294 0.452593 0.967945 H\n0.855706 0.452593 0.467945 H\n0.391307 0.209759 0.101215 H\n0.108693 0.209759 0.601215 H\n0.608693 0.790241 0.898785 H\n0.891307 0.790241 0.398785 H\n0.251555 0.972097 0.388302 H\n0.248445 0.972097 0.888302 H\n0.748445 0.027903 0.611698 H\n0.751555 0.027903 0.111698 H\n0.456537 0.811640 0.113703 H\n0.043463 0.811640 0.613703 H\n0.543463 0.188360 0.886297 H\n0.956537 0.188360 0.386297 H\n0.366982 0.141553 0.011754 H\n0.133018 0.141553 0.511754 H\n0.633018 0.858447 0.988246 H\n0.866982 0.858447 0.488246 H\n0.074692 0.156321 0.032574 H\n0.425308 0.156321 0.532574 H\n0.925308 0.843679 0.967426 H\n0.574692 0.843679 0.467426 H\n0.064476 0.346624 0.091615 H\n0.435524 0.346624 0.591615 H\n0.935524 0.653376 0.908385 H\n0.564476 0.653376 0.408385 H\n0.966519 0.157407 0.166320 H\n0.533481 0.157407 0.666320 H\n0.033481 0.842593 0.833680 H\n0.466519 0.842593 0.333680 H\n0.258012 0.918561 0.205715 H\n0.241988 0.918561 0.705715 H\n0.741988 0.081439 0.794285 H\n0.758012 0.081439 0.294285 H\n0.053557 0.909992 0.186912 H\n0.446443 0.909992 0.686912 H\n0.946443 0.090008 0.813088 H\n0.553557 0.090008 0.313088 H\n0.313654 0.215263 0.042439 C\n0.186346 0.215263 0.542439 C\n0.686346 0.784737 0.957561 C\n0.813654 0.784737 0.457561 C\n0.082450 0.215205 0.143915 C\n0.417550 0.215205 0.643915 C\n0.917550 0.784795 0.856085 C\n0.582450 0.784795 0.356085 C\n0.166713 0.952139 0.148870 C\n0.333287 0.952139 0.648870 C\n0.833287 0.047861 0.851130 C\n0.666713 0.047861 0.351130 C\n0.158939 0.137448 0.087809 N\n0.341061 0.137448 0.587809 N\n0.841061 0.862552 0.912191 N\n0.658939 0.862552 0.412191 N\n0.462496 0.471863 0.895163 O\n0.037504 0.471863 0.395163 O\n0.537504 0.528137 0.104837 O\n0.962496 0.528137 0.604837 O\n0.264229 0.540548 0.993709 O\n0.235771 0.540548 0.493709 O\n0.735771 0.459452 0.006291 O\n0.764229 0.459452 0.506291 O\n0.159512 0.441645 0.879209 O\n0.340488 0.441645 0.379209 O\n0.840488 0.558355 0.120791 O\n0.659512 0.558355 0.620791 O\n0.049934 0.287787 0.287569 O\n0.450066 0.287787 0.787569 O\n0.950066 0.712213 0.712431 O\n0.549934 0.712213 0.212431 O\n0.178262 0.011278 0.329275 O\n0.321738 0.011278 0.829275 O\n0.821738 0.988722 0.670725 O\n0.678262 0.988722 0.170725 O\n0.337873 0.276068 0.238991 O\n0.162127 0.276068 0.738991 O\n0.662127 0.723932 0.761009 O\n0.837873 0.723932 0.261009 O\n0.383394 0.860687 0.054100 O\n0.116606 0.860687 0.554100 O\n0.616606 0.139313 0.945900 O\n0.883394 0.139313 0.445900 O\n0.172041 0.656359 0.164711 O\n0.327959 0.656359 0.664711 O\n0.827959 0.343641 0.835289 O\n0.672041 0.343641 0.335289 O\n0.117506 0.897223 0.985454 O\n0.382494 0.897223 0.485454 O\n0.882494 0.102777 0.014546 O\n0.617506 0.102777 0.514546 O\n",
"nsites": 108,
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"elements": [
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"P",
"H",
"C",
"N",
"O"
],
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"density": 2.202108143830967,
"density_atomic": 0.10172906013909158,
"volume": 1061.6435446502142,
"volume_molar": 5.919784132249013,
"formula_full": "Mn4 P12 H40 C12 N4 O36",
"formula_reduced": "MnP3H10C3NO9",
"formula_anonymous": "ABC3D3E9F10",
"energy": -702.95393643,
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"updated_at": "2021-11-28T01:36:37.868000Z",
"spacegroup": 14
},
{
"id": "mp-1222123",
"created_at": "2022-09-04T14:42:07.272985Z",
"structure_string": "Mg2 Zn1 O3\n1.0\n1.516499 -2.626654 0.000000\n1.516499 2.626654 0.000000\n0.000000 0.000000 7.403316\nMg Zn O\n2 1 3\ndirect\n0.333333 0.666667 0.665800 Mg\n0.666667 0.333333 0.334200 Mg\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.172619 O\n0.666667 0.333333 0.827381 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 6,
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"elements": [
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"Zn",
"O"
],
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"density": 4.56151324709191,
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"volume": 58.97952619838674,
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"formula_full": "Mg2 Zn1 O3",
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"formula_anonymous": "AB2C3",
"energy": -34.81557134,
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"spacegroup": 164
},
{
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{
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{
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"structure_string": "Na2 Cu1 H20 C12 N12 O18\n1.0\n-6.861703 0.000000 0.000000\n3.387752 9.936996 0.000000\n-1.103310 -4.707026 -9.370698\nNa Cu H C N O\n2 1 20 12 12 18\ndirect\n0.757345 0.463866 0.397086 Na\n0.242655 0.536134 0.602914 Na\n0.000000 0.000000 0.000000 Cu\n0.122254 0.863155 0.367323 H\n0.877746 0.136845 0.632677 H\n0.773249 0.508011 0.012856 H\n0.226751 0.491989 0.987144 H\n0.697718 0.881873 0.560302 H\n0.302282 0.118127 0.439698 H\n0.336846 0.532987 0.212277 H\n0.663154 0.467013 0.787723 H\n0.698251 0.114357 0.127407 H\n0.301749 0.885643 0.872593 H\n0.683529 0.974546 0.165494 H\n0.316471 0.025454 0.834506 H\n0.082686 0.294908 0.322940 H\n0.917314 0.705092 0.677060 H\n0.928600 0.240767 0.419971 H\n0.071400 0.759233 0.580029 H\n0.428181 0.182678 0.180461 H\n0.571819 0.817322 0.819539 H\n0.560674 0.269013 0.096572 H\n0.439326 0.730987 0.903428 H\n0.099098 0.914561 0.199633 C\n0.900902 0.085439 0.800367 C\n0.945814 0.670512 0.198586 C\n0.054186 0.329488 0.801414 C\n0.895126 0.710219 0.995750 C\n0.104874 0.289781 0.004250 C\n0.675478 0.934858 0.392428 C\n0.324522 0.065142 0.607572 C\n0.513414 0.693814 0.395507 C\n0.486586 0.306186 0.604493 C\n0.471100 0.734347 0.191910 C\n0.528900 0.265653 0.808090 C\n0.008199 0.857884 0.068446 N\n0.991801 0.142116 0.931554 N\n0.063105 0.819636 0.262906 N\n0.936895 0.180364 0.737094 N\n0.870334 0.619322 0.062522 N\n0.129666 0.380678 0.937478 N\n0.594737 0.879042 0.258750 N\n0.405263 0.120958 0.741250 N\n0.636844 0.840407 0.457275 N\n0.363156 0.159593 0.542725 N\n0.428774 0.645489 0.263229 N\n0.571226 0.354511 0.736771 N\n0.209215 0.049540 0.263716 O\n0.790785 0.950460 0.736284 O\n0.910157 0.588394 0.258714 O\n0.089843 0.411606 0.741286 O\n0.813788 0.657818 0.874166 O\n0.186212 0.342182 0.125834 O\n0.786893 0.069511 0.460364 O\n0.213107 0.930489 0.539636 O\n0.482506 0.610365 0.454434 O\n0.517494 0.389635 0.545566 O\n0.392730 0.676686 0.067545 O\n0.607270 0.323314 0.932455 O\n0.745352 0.025257 0.101459 O\n0.254648 0.974743 0.898541 O\n0.003819 0.331264 0.407483 O\n0.996181 0.668736 0.592517 O\n0.568120 0.244955 0.175741 O\n0.431880 0.755045 0.824259 O\n",
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{
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"structure_string": "Zn4 Fe8 O16\n1.0\n2.921110 0.000000 0.000000\n0.000000 9.051798 0.000000\n0.000000 0.304020 10.409284\nZn Fe O\n4 8 16\ndirect\n0.000000 0.754713 0.354106 Zn\n0.500000 0.243072 0.652527 Zn\n0.000000 0.249103 0.152348 Zn\n0.500000 0.754230 0.844529 Zn\n0.500000 0.590249 0.101464 Fe\n0.000000 0.915680 0.601554 Fe\n0.500000 0.086850 0.401216 Fe\n0.000000 0.406636 0.896862 Fe\n0.000000 0.432252 0.383042 Fe\n0.500000 0.565340 0.618135 Fe\n0.000000 0.941471 0.120510 Fe\n0.500000 0.057608 0.878084 Fe\n0.500000 0.091015 0.065286 O\n0.000000 0.918897 0.928324 O\n0.500000 0.594222 0.426475 O\n0.000000 0.405571 0.572876 O\n0.500000 0.959993 0.714945 O\n0.000000 0.045193 0.286320 O\n0.500000 0.461586 0.782324 O\n0.000000 0.525685 0.212836 O\n0.500000 0.376400 0.033528 O\n0.000000 0.628746 0.962018 O\n0.500000 0.884384 0.469608 O\n0.000000 0.116918 0.532486 O\n0.000000 0.197070 0.822314 O\n0.500000 0.797284 0.182408 O\n0.500000 0.290219 0.331138 O\n0.000000 0.709616 0.672737 O\n",
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{
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"structure_string": "Mg6 Zn1 Fe1 O8\n1.0\n8.605651 0.000000 -0.000000\n-0.000000 4.275047 0.000000\n0.000000 0.000000 4.275047\nMg Zn Fe O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250792 0.000000 0.500000 Mg\n0.749208 0.000000 0.500000 Mg\n0.250792 0.500000 0.000000 Mg\n0.749208 0.500000 -0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Fe\n0.252130 -0.000000 0.000000 O\n0.747870 0.000000 -0.000000 O\n0.255962 0.500000 0.500000 O\n0.744038 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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}