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{
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"results": [
{
"id": "mp-760142",
"created_at": "2022-09-04T14:40:24.627367Z",
"structure_string": "Li12 Fe5 O16\n1.0\n5.870277 0.000000 0.000000\n-2.822326 5.172695 0.000000\n-0.092710 -0.531461 9.775795\nLi Fe O\n12 5 16\ndirect\n0.669625 0.912788 0.223499 Li\n0.585342 0.789597 0.966961 Li\n0.986861 0.013198 0.029702 Li\n0.227472 0.915904 0.223521 Li\n0.900566 0.803337 0.453227 Li\n0.159591 0.779689 0.956890 Li\n0.321811 0.656734 0.721580 Li\n0.184611 0.381768 0.948297 Li\n0.717658 0.436168 0.234703 Li\n0.815438 0.656115 0.719755 Li\n0.879063 0.260405 0.446141 Li\n0.375938 0.261040 0.448512 Li\n0.326426 0.163288 0.715157 Fe\n0.385941 0.769850 0.459657 Fe\n0.659487 0.346183 0.972466 Fe\n0.196048 0.401251 0.214173 Fe\n0.833586 0.167447 0.714092 Fe\n0.664399 0.853564 0.598125 O\n0.526340 0.063178 0.357222 O\n0.193115 0.847862 0.587178 O\n0.319539 0.675037 0.102358 O\n0.522330 0.590066 0.352255 O\n0.068251 0.579613 0.345327 O\n0.819533 0.668341 0.065448 O\n0.157005 0.322761 0.604734 O\n0.971529 0.468271 0.835528 O\n0.827155 0.212445 0.087280 O\n0.042974 0.104201 0.312816 O\n0.653449 0.308809 0.617662 O\n0.004703 0.017399 0.822310 O\n0.496623 0.477346 0.846357 O\n0.330913 0.220509 0.095160 O\n0.499582 0.021415 0.853694 O\n",
"nsites": 33,
"nelements": 3,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.459923092249051,
"density_atomic": 0.11116968823452389,
"volume": 296.8435058519109,
"volume_molar": 5.417070836157852,
"formula_full": "Li12 Fe5 O16",
"formula_reduced": "Li12Fe5O16",
"formula_anonymous": "A5B12C16",
"energy": -204.46314103,
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"updated_at": "2021-11-28T01:34:55.038000Z",
"spacegroup": 1
},
{
"id": "mp-1174725",
"created_at": "2022-09-04T14:40:24.676030Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n3.025585 0.000000 0.000000\n0.126403 8.036577 0.000000\n0.605888 2.126811 10.458472\nLi Mn Co O\n8 2 4 14\ndirect\n0.144357 0.068600 0.710883 Li\n0.855198 0.929806 0.286868 Li\n0.574062 0.783168 0.855063 Li\n0.713536 0.356990 0.571626 Li\n0.427406 0.213907 0.143196 Li\n0.285389 0.647404 0.432912 Li\n0.001444 0.500341 0.999322 Li\n0.714563 0.856833 0.571953 Li\n0.999510 0.000757 0.999039 Mn\n0.855319 0.426778 0.286705 Mn\n0.429061 0.714307 0.143131 Co\n0.147299 0.582620 0.708045 Co\n0.573605 0.289261 0.855306 Co\n0.278707 0.129915 0.435913 Co\n0.591193 0.047079 0.858686 O\n0.292499 0.916341 0.426411 O\n0.020084 0.755312 0.007916 O\n0.160834 0.339657 0.723117 O\n0.877228 0.183970 0.293622 O\n0.729842 0.603069 0.582112 O\n0.447825 0.474555 0.146715 O\n0.700167 0.110164 0.561099 O\n0.409578 0.954251 0.138004 O\n0.135732 0.796245 0.718230 O\n0.268653 0.374360 0.424452 O\n0.979506 0.245397 0.992542 O\n0.835586 0.672648 0.279940 O\n0.551819 0.526266 0.847192 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.081968689758011,
"density_atomic": 0.1101055789399028,
"volume": 254.30137391387586,
"volume_molar": 5.469423818466973,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -181.74632935,
"energy_per_atom": -6.490940333928571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -162.24032935,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 15.9999305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.087000Z",
"spacegroup": 1
},
{
"id": "mp-1219381",
"created_at": "2022-09-04T14:40:24.957846Z",
"structure_string": "Sm12 Sn1 Ge4 S28\n1.0\n10.101954 0.000000 0.000000\n-0.004066 11.607879 0.000000\n-5.047961 -5.796593 8.735135\nSm Sn Ge S\n12 1 4 28\ndirect\n0.779036 0.479545 0.656590 Sm\n0.769179 0.984611 0.629282 Sm\n0.863009 0.284064 0.230721 Sm\n0.875698 0.763366 0.221290 Sm\n0.369299 0.237457 0.135970 Sm\n0.344095 0.714167 0.124299 Sm\n0.219987 0.593419 0.346142 Sm\n0.235503 0.084070 0.368506 Sm\n0.128398 0.780827 0.761813 Sm\n0.128619 0.311237 0.781576 Sm\n0.633116 0.833564 0.866385 Sm\n0.652396 0.357460 0.874314 Sm\n0.000274 0.020121 0.999922 Sn\n0.666094 0.620232 0.332594 Ge\n0.667266 0.119591 0.334595 Ge\n0.334573 0.531248 0.663971 Ge\n0.332353 0.035593 0.670036 Ge\n0.672824 0.438073 0.347350 S\n0.660626 0.923245 0.319922 S\n0.334091 0.345443 0.669233 S\n0.332305 0.843269 0.664353 S\n0.898582 0.271092 0.479536 S\n0.898386 0.773048 0.481021 S\n0.583246 0.083089 0.101781 S\n0.580966 0.582680 0.101388 S\n0.518204 0.240211 0.416348 S\n0.520872 0.741797 0.419601 S\n0.105124 0.534090 0.508821 S\n0.099802 0.044321 0.528097 S\n0.412945 0.725641 0.896868 S\n0.420886 0.232427 0.900282 S\n0.474496 0.566767 0.572741 S\n0.489015 0.077636 0.595843 S\n0.735775 0.605384 0.904131 S\n0.753938 0.088458 0.905451 S\n0.152976 0.258259 0.245973 S\n0.168060 0.786728 0.265421 S\n0.094023 0.568331 0.831578 S\n0.094427 0.059744 0.846632 S\n0.261904 0.448563 0.096955 S\n0.250252 0.948704 0.089707 S\n0.839559 0.778641 0.749594 S\n0.834840 0.269116 0.737868 S\n0.902747 0.482774 0.164780 S\n0.910236 0.983890 0.160720 S\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Sm",
"Sn",
"Ge",
"S"
],
"chemical_system": "Ge-S-Sm-Sn",
"density": 5.044039284863799,
"density_atomic": 0.04393237009044954,
"volume": 1024.3016688458279,
"volume_molar": 13.707752956649959,
"formula_full": "Sm12 Sn1 Ge4 S28",
"formula_reduced": "Sm12Sn(GeS7)4",
"formula_anonymous": "AB4C12D28",
"energy": -276.45344611,
"energy_per_atom": -6.143409913555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.36944611,
"band_gap": 1.4773999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.428000Z",
"spacegroup": 1
},
{
"id": "mp-1177646",
"created_at": "2022-09-04T14:40:24.703957Z",
"structure_string": "Li6 Mn4 P4 C4 O28\n1.0\n8.204131 0.000000 0.000000\n-1.985945 7.994144 0.000000\n-2.703790 -3.630420 8.417706\nLi Mn P C O\n6 4 4 4 28\ndirect\n0.220149 0.271002 0.264488 Li\n0.490807 0.984400 0.243003 Li\n0.729742 0.723000 0.224448 Li\n0.467769 0.036391 0.727262 Li\n0.778999 0.776984 0.766191 Li\n0.028129 0.519237 0.779372 Li\n0.693875 0.438395 0.337888 Mn\n0.183747 0.930886 0.336610 Mn\n0.817619 0.068304 0.666542 Mn\n0.308258 0.554847 0.657980 Mn\n0.940697 0.202109 0.419338 P\n0.461089 0.698569 0.426703 P\n0.055222 0.795196 0.579100 P\n0.544206 0.303465 0.573129 P\n0.513924 0.253715 0.057165 C\n0.004299 0.764380 0.052659 C\n0.997113 0.243773 0.948251 C\n0.481345 0.734043 0.942573 C\n0.165092 0.896317 0.117618 O\n0.653032 0.406987 0.113513 O\n0.100121 0.323037 0.089515 O\n0.475413 0.223905 0.176288 O\n0.571407 0.823159 0.088872 O\n0.946096 0.734375 0.159736 O\n0.041935 0.116706 0.324913 O\n0.556632 0.601030 0.326809 O\n0.370357 0.793610 0.330949 O\n0.823331 0.275831 0.314286 O\n0.402088 0.163309 0.407250 O\n0.323979 0.552547 0.454001 O\n0.811705 0.059183 0.453983 O\n0.911018 0.653374 0.413911 O\n0.075390 0.356356 0.582522 O\n0.196514 0.927054 0.544819 O\n0.688919 0.440418 0.544244 O\n0.600035 0.837767 0.594615 O\n0.158717 0.705981 0.678195 O\n0.455660 0.408699 0.673585 O\n0.631145 0.207767 0.670775 O\n0.967185 0.892567 0.680828 O\n0.015083 0.298872 0.834748 O\n0.431628 0.148025 0.916565 O\n0.528544 0.768748 0.830591 O\n0.920775 0.678653 0.905052 O\n0.854963 0.089481 0.887127 O\n0.330060 0.593726 0.881983 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.650843178846821,
"density_atomic": 0.08332196912150366,
"volume": 552.0752868060623,
"volume_molar": 7.227554537529301,
"formula_full": "Li6 Mn4 P4 C4 O28",
"formula_reduced": "Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -349.52633409000003,
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"energy_uncorrected": -323.61833409,
"band_gap": 0.6622,
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"updated_at": "2021-11-28T01:35:05.930000Z",
"spacegroup": 1
},
{
"id": "mp-1246279",
"created_at": "2022-09-04T14:40:24.722504Z",
"structure_string": "Zr7 Se8 N4\n1.0\n7.766333 0.587958 -0.100577\n9.627333 8.447050 0.128746\n4.633612 -5.574722 6.355366\nZr Se N\n7 8 4\ndirect\n0.007599 0.076247 0.006877 Zr\n0.163315 0.501040 0.611032 Zr\n0.617042 0.771654 0.128299 Zr\n0.290416 0.601591 0.258704 Zr\n0.714773 0.552746 0.373906 Zr\n0.234524 0.242829 0.894171 Zr\n0.833362 0.327992 0.734271 Zr\n0.039256 0.747816 0.075029 Se\n0.621092 0.622861 0.689144 Se\n0.508547 0.165390 0.054759 Se\n0.943512 0.238762 0.404256 Se\n0.501182 0.127472 0.524081 Se\n0.014822 0.777951 0.627393 Se\n0.429865 0.346244 0.784777 Se\n0.524757 0.843752 0.468012 Se\n0.478638 0.375248 0.300240 N\n0.541411 0.822328 0.947438 N\n0.909211 0.265619 0.934078 N\n0.634175 0.588857 0.179732 N\n",
"nsites": 19,
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"elements": [
"Zr",
"Se",
"N"
],
"chemical_system": "N-Se-Zr",
"density": 5.558444067983278,
"density_atomic": 0.04795393227070681,
"volume": 396.2135970986129,
"volume_molar": 12.558179225019867,
"formula_full": "Zr7 Se8 N4",
"formula_reduced": "Zr7(Se2N)4",
"formula_anonymous": "A4B7C8",
"energy": -149.50055516,
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"updated_at": "2021-11-28T01:34:49.006000Z",
"spacegroup": 1
},
{
"id": "mp-760969",
"created_at": "2022-09-04T14:40:24.728913Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n9.739526 0.000000 0.000000\n4.862116 8.482642 0.000000\n0.096087 0.083979 14.263014\nLi V P O\n6 6 16 58\ndirect\n0.310616 0.915757 0.437772 Li\n0.909052 0.323101 0.943318 Li\n0.224626 0.685285 0.555978 Li\n0.773420 0.317520 0.439607 Li\n0.693051 0.083902 0.559301 Li\n0.014620 0.943424 0.007468 Li\n0.435272 0.569101 0.758913 V\n0.562285 0.433905 0.241567 V\n0.998604 0.568135 0.251613 V\n0.002751 0.434975 0.746377 V\n0.564898 0.995917 0.758215 V\n0.435833 0.004515 0.242860 V\n0.783643 0.916488 0.161346 P\n0.912243 0.775242 0.660444 P\n0.319049 0.910896 0.657547 P\n0.671390 0.661908 0.870897 P\n0.661770 0.665842 0.366239 P\n0.304920 0.780593 0.159271 P\n0.230249 0.680165 0.340693 P\n0.916062 0.314574 0.156295 P\n0.079938 0.692229 0.843699 P\n0.766760 0.323312 0.657809 P\n0.692739 0.222432 0.838589 P\n0.341270 0.333774 0.634271 P\n0.327859 0.337709 0.130020 P\n0.681224 0.090715 0.342590 P\n0.087372 0.225472 0.337537 P\n0.217606 0.084813 0.839023 P\n0.747537 0.017681 0.434993 O\n0.741760 0.918485 0.662404 O\n0.008930 0.782839 0.929457 O\n0.915352 0.741177 0.170897 O\n0.620136 0.920866 0.170842 O\n0.672516 0.811033 0.826513 O\n0.478195 0.903746 0.682332 O\n0.203414 0.001636 0.921840 O\n0.349482 0.912411 0.168772 O\n0.814641 0.659002 0.322117 O\n0.904420 0.620699 0.677675 O\n0.516612 0.819623 0.326206 O\n0.668017 0.659822 0.974585 O\n0.664082 0.657644 0.470417 O\n0.517877 0.669980 0.826013 O\n0.914301 0.471471 0.172923 O\n0.815626 0.511330 0.828575 O\n0.338666 0.743178 0.666921 O\n0.208972 0.798202 0.255888 O\n0.242367 0.752990 0.430226 O\n0.205667 0.801500 0.077342 O\n0.461659 0.618505 0.168411 O\n0.657828 0.520149 0.322518 O\n0.256386 0.651980 0.830420 O\n0.616875 0.481277 0.679851 O\n0.913293 0.345168 0.666953 O\n0.992961 0.798375 0.752656 O\n0.005404 0.767264 0.576034 O\n0.992366 0.227646 0.419854 O\n0.085006 0.656879 0.335673 O\n0.381118 0.521751 0.319787 O\n0.743163 0.345421 0.169887 O\n0.340838 0.481762 0.675553 O\n0.533728 0.382228 0.829498 O\n0.793547 0.213807 0.918101 O\n0.757128 0.251827 0.567408 O\n0.785736 0.202259 0.740461 O\n0.658239 0.259959 0.334660 O\n0.185359 0.482668 0.176945 O\n0.077499 0.536161 0.828790 O\n0.481176 0.331315 0.173773 O\n0.330431 0.334383 0.026518 O\n0.337101 0.336620 0.530251 O\n0.485299 0.181141 0.676072 O\n0.092759 0.380119 0.323203 O\n0.186635 0.341079 0.680036 O\n0.654810 0.086079 0.834759 O\n0.798906 0.994277 0.258015 O\n0.804971 0.994802 0.078252 O\n0.522937 0.096013 0.319349 O\n0.328589 0.187379 0.174842 O\n0.380333 0.083121 0.827763 O\n0.082211 0.260653 0.834356 O\n0.981678 0.238559 0.064883 O\n0.012708 0.199974 0.241659 O\n0.258297 0.081893 0.337373 O\n0.256010 0.982161 0.564403 O\n0.200185 0.011923 0.740944 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4954464149773874,
"density_atomic": 0.07298240707112295,
"volume": 1178.3661768813834,
"volume_molar": 8.251496493026451,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -656.9622834,
"energy_per_atom": -7.639096318604651,
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"total_magnetization": 9.21e-05,
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"updated_at": "2021-11-28T01:34:54.389000Z",
"spacegroup": 1
},
{
"id": "mp-532554",
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"structure_string": "Al3 Cu6 Sb3 H36 O36\n1.0\n9.209496 0.000000 0.000000\n-4.491238 8.085027 0.000000\n-0.024406 -0.033386 9.743427\nAl Cu Sb H O\n3 6 3 36 36\ndirect\n0.999524 0.002637 0.502660 Al\n0.332373 0.664600 0.493591 Al\n0.666171 0.329421 0.509139 Al\n0.013222 0.671966 0.507182 Cu\n0.659374 0.986550 0.494473 Cu\n0.671741 0.657289 0.503989 Cu\n0.326053 0.339902 0.504012 Cu\n0.340275 0.013775 0.496362 Cu\n0.986466 0.327063 0.498538 Cu\n0.004077 0.997679 0.003155 Sb\n0.321259 0.661050 0.986297 Sb\n0.667621 0.352842 0.011873 Sb\n0.143694 0.961719 0.296255 H\n0.095845 0.804021 0.886274 H\n0.434889 0.944473 0.848824 H\n0.159877 0.764285 0.116868 H\n0.246896 0.783276 0.701148 H\n0.461409 0.854304 0.287565 H\n0.727880 0.932304 0.891869 H\n0.131014 0.600325 0.295621 H\n0.594832 0.828431 0.109562 H\n0.795186 0.864943 0.299654 H\n0.530258 0.737384 0.699522 H\n0.051638 0.426884 0.885488 H\n0.207437 0.460006 0.700108 H\n0.951420 0.811471 0.706794 H\n0.564466 0.624238 0.889734 H\n0.388354 0.527016 0.292807 H\n0.807561 0.726668 0.119755 H\n0.218189 0.391603 0.111415 H\n0.797743 0.633607 0.893716 H\n0.184624 0.273999 0.886354 H\n0.607274 0.467365 0.712184 H\n0.439509 0.396759 0.119459 H\n0.050084 0.193860 0.294909 H\n0.791907 0.538365 0.308957 H\n0.945250 0.560983 0.122163 H\n0.466748 0.265922 0.303860 H\n0.197568 0.138149 0.706028 H\n0.376062 0.183453 0.898343 H\n0.859302 0.389371 0.712343 H\n0.153093 0.988990 0.109622 H\n0.551969 0.078501 0.702316 H\n0.747002 0.219016 0.294353 H\n0.814327 0.227931 0.887815 H\n0.607169 0.066264 0.103524 H\n0.913226 0.191858 0.110993 H\n0.858500 0.058183 0.704911 H\n0.126606 0.931244 0.393099 O\n0.492967 0.839195 0.114095 O\n0.242605 0.781482 0.597018 O\n0.447396 0.862879 0.388486 O\n0.266564 0.800932 0.874133 O\n0.146905 0.653072 0.124577 O\n0.126972 0.577851 0.395924 O\n0.791176 0.875800 0.401559 O\n0.535562 0.748637 0.596924 O\n0.513698 0.697025 0.869196 O\n0.810884 0.835648 0.123538 O\n0.170744 0.455789 0.873608 O\n0.216740 0.459839 0.597560 O\n0.931796 0.805419 0.605668 O\n0.415156 0.544835 0.392368 O\n0.987800 0.811531 0.883496 O\n0.329261 0.492217 0.116457 O\n0.681744 0.538058 0.892658 O\n0.017513 0.186588 0.122269 O\n0.581734 0.447509 0.612765 O\n0.070278 0.199022 0.396054 O\n0.783032 0.540999 0.411475 O\n0.826042 0.530061 0.139194 O\n0.185700 0.166107 0.882039 O\n0.488111 0.322843 0.140350 O\n0.460789 0.247120 0.406158 O\n0.200586 0.127926 0.604372 O\n0.865170 0.410418 0.611831 O\n0.842597 0.345989 0.888515 O\n0.494359 0.218738 0.871969 O\n0.553351 0.112985 0.590467 O\n0.762990 0.227298 0.396089 O\n0.693688 0.182399 0.123079 O\n0.556650 0.032268 0.826425 O\n0.870507 0.076960 0.603726 O\n0.842969 0.022514 0.880277 O\n",
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{
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"structure_string": "K4 Mg1 Zn4 H16 Br12 O8\n1.0\n5.726215 0.013748 -4.991905\n0.220480 13.162056 0.186412\n-1.080587 0.248152 13.765877\nK Mg Zn H Br O\n4 1 4 16 12 8\ndirect\n0.290655 0.803794 0.009845 K\n0.675802 0.325075 0.488710 K\n0.764427 0.152229 0.002989 K\n0.283101 0.710813 0.503913 K\n0.795131 0.474172 0.267213 Mg\n0.483349 0.930756 0.750961 Zn\n0.485741 0.418421 0.754285 Zn\n0.519781 0.065416 0.258115 Zn\n0.551083 0.556561 0.308952 Zn\n0.778404 0.267917 0.785351 H\n0.202441 0.780214 0.711151 H\n0.287137 0.733964 0.243653 H\n0.785596 0.222565 0.295923 H\n0.927405 0.323871 0.930660 H\n0.036948 0.854251 0.570579 H\n0.102596 0.653038 0.137683 H\n0.954417 0.159245 0.440584 H\n0.940514 0.154837 0.745326 H\n0.070144 0.655192 0.740030 H\n0.094536 0.855070 0.241531 H\n0.884491 0.345438 0.170776 H\n0.655294 0.136599 0.642017 H\n0.365005 0.655614 0.851831 H\n0.372968 0.880916 0.363494 H\n0.589055 0.348333 0.067521 H\n0.224977 0.386266 0.505866 Br\n0.715162 0.903498 0.991638 Br\n0.695237 0.581067 0.541141 Br\n0.294258 0.098940 0.021055 Br\n0.292305 0.356208 0.826562 Br\n0.719179 0.898046 0.699511 Br\n0.816098 0.629427 0.165429 Br\n0.321858 0.083693 0.334930 Br\n0.276282 0.098083 0.668498 Br\n0.637856 0.584679 0.815063 Br\n0.737485 0.900782 0.332163 Br\n0.148231 0.359213 0.159025 Br\n0.207330 0.825140 0.651799 O\n0.760999 0.306378 0.839753 O\n0.780166 0.183358 0.355446 O\n0.264803 0.682476 0.183726 O\n0.215117 0.698626 0.807647 O\n0.776205 0.190812 0.683663 O\n0.747192 0.346395 0.168388 O\n0.260274 0.823652 0.322750 O\n",
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{
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{
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{
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{
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}
]
}