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{
"count": 146323,
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"results": [
{
"id": "mp-1250508",
"created_at": "2022-09-04T14:45:36.700030Z",
"structure_string": "Rb4 Al12 Cd4 Si12 O48\n1.0\n12.378628 0.074888 -0.010660\n0.074558 12.392970 0.012929\n-0.009527 0.013704 12.262094\nRb Al Cd Si O\n4 12 4 12 48\ndirect\n0.012074 0.533809 0.531841 Rb\n0.483756 0.523816 0.030535 Rb\n0.471859 0.041271 0.471910 Rb\n0.469769 0.747830 0.752842 Rb\n0.001640 0.189081 0.623601 Al\n0.368093 0.808492 0.001054 Al\n0.617813 0.016318 0.192936 Al\n0.616135 0.193063 0.983667 Al\n0.625735 0.989608 0.807095 Al\n0.621994 0.810774 0.013623 Al\n0.833591 0.001227 0.361553 Al\n0.838155 0.000413 0.635869 Al\n0.825806 0.370380 0.993309 Al\n0.835523 0.637509 0.008630 Al\n0.006348 0.632367 0.822754 Al\n0.001626 0.808323 0.373554 Al\n0.796374 0.179562 0.189364 Cd\n0.797526 0.200094 0.815426 Cd\n0.794387 0.803434 0.185801 Cd\n0.814072 0.830018 0.813740 Cd\n0.011500 0.185196 0.363719 Si\n0.998768 0.365387 0.179238 Si\n0.007609 0.378067 0.804172 Si\n0.021184 0.814587 0.633470 Si\n0.185057 0.999786 0.370644 Si\n0.190481 0.998659 0.618332 Si\n0.182006 0.369571 0.991801 Si\n0.191727 0.611127 0.017693 Si\n0.368323 0.002949 0.182604 Si\n0.360985 0.176498 0.993957 Si\n0.365011 0.991236 0.812899 Si\n0.015934 0.618466 0.197687 Si\n0.022890 0.293288 0.286858 O\n0.018791 0.310518 0.692820 O\n0.018677 0.679477 0.313871 O\n0.986488 0.776469 0.512076 O\n0.980751 0.502407 0.772701 O\n0.036496 0.706953 0.706564 O\n0.123970 0.116760 0.354609 O\n0.095364 0.352131 0.090809 O\n0.108436 0.097171 0.637068 O\n0.133677 0.620831 0.138132 O\n0.119986 0.368972 0.875450 O\n0.106277 0.899579 0.356423 O\n0.105748 0.627827 0.921611 O\n0.135196 0.880508 0.633125 O\n0.243435 0.001318 0.493410 O\n0.243972 0.484979 0.010755 O\n0.285771 0.997755 0.286409 O\n0.272194 0.274796 0.992099 O\n0.295366 0.002958 0.699225 O\n0.293964 0.689236 0.011494 O\n0.337751 0.107682 0.105010 O\n0.344980 0.099876 0.886292 O\n0.364170 0.893413 0.113448 O\n0.335737 0.881392 0.878736 O\n0.485158 0.024976 0.240791 O\n0.479806 0.230721 0.991219 O\n0.489779 0.979846 0.767863 O\n0.498880 0.752333 0.982603 O\n0.653610 0.126036 0.105582 O\n0.650563 0.115722 0.866359 O\n0.642640 0.891943 0.130479 O\n0.663226 0.879128 0.893251 O\n0.711574 0.036805 0.297840 O\n0.717980 0.965044 0.701915 O\n0.710193 0.296300 0.967390 O\n0.721457 0.713092 0.046584 O\n0.806518 0.504541 0.002113 O\n0.835454 0.001588 0.498579 O\n0.914140 0.112668 0.307581 O\n0.884016 0.128450 0.683317 O\n0.885253 0.320780 0.121996 O\n0.909717 0.326408 0.881324 O\n0.921621 0.673442 0.120862 O\n0.887403 0.689117 0.883542 O\n0.883290 0.872446 0.314676 O\n0.926228 0.893497 0.688707 O\n0.983920 0.223903 0.485372 O\n0.985023 0.489995 0.219736 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Rb",
"Al",
"Cd",
"Si",
"O"
],
"chemical_system": "Al-Cd-O-Rb-Si",
"density": 1.9600313898032422,
"density_atomic": 0.04252986893971422,
"volume": 1881.0309552893148,
"volume_molar": 14.1597914833369,
"formula_full": "Rb4 Al12 Cd4 Si12 O48",
"formula_reduced": "RbAl3Cd(SiO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -598.28111634,
"energy_per_atom": -7.47851395425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -565.30511634,
"band_gap": 2.795,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.565000Z",
"spacegroup": 1
},
{
"id": "mp-779368",
"created_at": "2022-09-04T14:45:31.509528Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n9.755823 0.000000 0.000000\n0.433817 9.841100 0.000000\n0.614460 0.891080 9.813424\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.242490 0.512221 0.986390 Li\n0.384916 0.259163 0.004993 Li\n0.472554 0.562455 0.774726 Li\n0.177994 0.734240 0.773220 Li\n0.604168 0.988578 0.747283 Li\n0.810629 0.745861 0.625889 Li\n0.752363 0.011645 0.495162 Li\n0.529982 0.225693 0.441094 Li\n0.978647 0.924638 0.303290 Li\n0.818494 0.231580 0.267972 Li\n0.193503 0.381983 0.248919 Li\n0.023238 0.693412 0.076201 Li\n0.218445 0.027268 0.740213 Mn\n0.506322 0.531251 0.464841 Mn\n0.499307 0.757916 0.247447 Mn\n0.722197 0.737423 0.028965 Mn\n0.784783 0.249160 0.971941 V\n0.000728 0.246963 0.753050 V\n0.001998 0.464143 0.531293 V\n0.281701 0.966134 0.253937 V\n0.404733 0.825200 0.948460 P\n0.899979 0.945722 0.825935 P\n0.929927 0.550683 0.838256 P\n0.304000 0.341648 0.678696 P\n0.697000 0.319316 0.663277 P\n0.425788 0.831529 0.556248 P\n0.071416 0.153172 0.449944 P\n0.802606 0.679903 0.347944 P\n0.199767 0.653660 0.313272 P\n0.576152 0.445292 0.159380 P\n0.591779 0.054356 0.185079 P\n0.095422 0.176749 0.055789 P\n0.856733 0.870314 0.967011 O\n0.563073 0.824333 0.917735 O\n0.791640 0.614259 0.886132 O\n0.345496 0.962755 0.882222 O\n0.339941 0.698481 0.903841 O\n0.924982 0.390384 0.873906 O\n0.054776 0.602266 0.903609 O\n0.120930 0.168810 0.897576 O\n0.873860 0.103988 0.839298 O\n0.669467 0.305109 0.820967 O\n0.056132 0.908144 0.802790 O\n0.348941 0.407360 0.802329 O\n0.812493 0.912542 0.711050 O\n0.943786 0.586892 0.679549 O\n0.332780 0.183996 0.690516 O\n0.142210 0.376358 0.670852 O\n0.287030 0.865601 0.631658 O\n0.549852 0.902204 0.598018 O\n0.860702 0.323295 0.623674 O\n0.633231 0.458595 0.615286 O\n0.444445 0.670604 0.585972 O\n0.647487 0.196323 0.598193 O\n0.076466 0.121209 0.612028 O\n0.372776 0.391601 0.538351 O\n0.843772 0.802783 0.419883 O\n0.141333 0.591106 0.450662 O\n0.862205 0.543067 0.409849 O\n0.412127 0.872991 0.398766 O\n0.639688 0.669635 0.371717 O\n0.939647 0.096613 0.402690 O\n0.072369 0.310999 0.411206 O\n0.204162 0.086145 0.391177 O\n0.361583 0.631229 0.318322 O\n0.155544 0.808998 0.296495 O\n0.561435 0.412694 0.319845 O\n0.650831 0.108843 0.309326 O\n0.844923 0.697365 0.192650 O\n0.624496 0.895299 0.186790 O\n0.156595 0.582436 0.191283 O\n0.433296 0.087895 0.181232 O\n0.591849 0.605391 0.120937 O\n0.372964 0.832123 0.109009 O\n0.713096 0.372395 0.116194 O\n0.939782 0.206873 0.096389 O\n0.449131 0.405084 0.093888 O\n0.132081 0.036059 0.129628 O\n0.186654 0.290837 0.089742 O\n0.658189 0.111555 0.047848 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.9018427996703084,
"density_atomic": 0.0849105915210028,
"volume": 942.1675030989725,
"volume_molar": 7.092331653949685,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -606.60638451,
"energy_per_atom": -7.582579806375,
"energy_above_hull": null,
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"band_gap": 0.2709999999999999,
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"is_magnetic": true,
"total_magnetization": 24.0004657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.001000Z",
"spacegroup": 1
},
{
"id": "mp-755440",
"created_at": "2022-09-04T14:45:30.587409Z",
"structure_string": "Li1 La3 Ti3 Cr1 O12\n1.0\n5.522529 -0.016289 -0.002013\n-0.016315 5.541203 -0.004445\n-0.004467 -0.006294 7.836954\nLi La Ti Cr O\n1 3 3 1 12\ndirect\n0.028785 0.970608 0.258872 Li\n0.493081 0.532560 0.253709 La\n0.502337 0.471455 0.748367 La\n0.991367 0.973096 0.746449 La\n0.999601 0.498784 0.006770 Ti\n0.999384 0.497076 0.490405 Ti\n0.500974 0.004148 0.013155 Ti\n0.498094 0.003088 0.495177 Cr\n0.931044 0.474979 0.248996 O\n0.218172 0.783826 0.046430 O\n0.209356 0.784752 0.450846 O\n0.287975 0.289934 0.026833 O\n0.287060 0.295407 0.472837 O\n0.584957 0.997812 0.247047 O\n0.422573 0.001669 0.749695 O\n0.713728 0.715965 0.533090 O\n0.716613 0.720714 0.964632 O\n0.775534 0.230349 0.548999 O\n0.772597 0.229432 0.948452 O\n0.066766 0.524344 0.749240 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"La",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-La-Li-O-Ti",
"density": 5.617164550229657,
"density_atomic": 0.08339591438584888,
"volume": 239.81990181756098,
"volume_molar": 7.22114602897366,
"formula_full": "Li1 La3 Ti3 Cr1 O12",
"formula_reduced": "LiLa3Ti3CrO12",
"formula_anonymous": "ABC3D3E12",
"energy": -178.31742171999997,
"energy_per_atom": -8.915871086,
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"energy_uncorrected": -168.07442172000003,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:05.304000Z",
"spacegroup": 1
},
{
"id": "mp-1227921",
"created_at": "2022-09-04T14:42:51.883558Z",
"structure_string": "Ca12 Sc4 Fe4 Si12 O48\n1.0\n-6.110301 6.110301 6.110301\n6.110301 -6.110301 6.110301\n6.110301 6.110301 -6.110301\nCa Sc Fe Si O\n12 4 4 12 48\ndirect\n0.123934 0.373934 0.750000 Ca\n0.376066 0.126066 0.250000 Ca\n0.250000 0.376066 0.126066 Ca\n0.750000 0.123934 0.373934 Ca\n0.126066 0.250000 0.376066 Ca\n0.373934 0.750000 0.123934 Ca\n0.876066 0.626066 0.250000 Ca\n0.623934 0.873934 0.750000 Ca\n0.750000 0.623934 0.873934 Ca\n0.250000 0.876066 0.626066 Ca\n0.873934 0.750000 0.623934 Ca\n0.626066 0.250000 0.876066 Ca\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.876630 0.126630 0.750000 Si\n0.623370 0.373370 0.250000 Si\n0.250000 0.623370 0.373370 Si\n0.750000 0.876630 0.126630 Si\n0.373370 0.250000 0.623370 Si\n0.126630 0.750000 0.876630 Si\n0.123370 0.873370 0.250000 Si\n0.376630 0.626630 0.750000 Si\n0.750000 0.376630 0.626630 Si\n0.250000 0.123370 0.873370 Si\n0.626630 0.750000 0.376630 Si\n0.873370 0.250000 0.123370 Si\n0.801252 0.510260 0.392470 O\n0.617790 0.408782 0.107530 O\n0.698748 0.091218 0.709008 O\n0.882210 0.989740 0.790992 O\n0.709008 0.698748 0.091218 O\n0.790992 0.882210 0.989740 O\n0.392470 0.801252 0.510260 O\n0.107530 0.617790 0.408782 O\n0.989740 0.790992 0.882210 O\n0.091218 0.709008 0.698748 O\n0.408782 0.107530 0.617790 O\n0.510260 0.392470 0.801252 O\n0.198748 0.489740 0.607530 O\n0.382210 0.591218 0.892470 O\n0.301252 0.908782 0.290992 O\n0.117790 0.010260 0.209008 O\n0.290992 0.301252 0.908782 O\n0.209008 0.117790 0.010260 O\n0.607530 0.198748 0.489740 O\n0.892470 0.382210 0.591218 O\n0.010260 0.209008 0.117790 O\n0.908782 0.290992 0.301252 O\n0.591218 0.892470 0.382210 O\n0.489740 0.607530 0.198748 O\n0.298598 0.490976 0.384289 O\n0.201402 0.585691 0.192378 O\n0.606687 0.914309 0.115711 O\n0.893313 0.009024 0.307622 O\n0.009024 0.307622 0.893313 O\n0.914309 0.115711 0.606687 O\n0.585691 0.192378 0.201402 O\n0.490976 0.384289 0.298598 O\n0.192378 0.201402 0.585691 O\n0.384289 0.298598 0.490976 O\n0.307622 0.893313 0.009024 O\n0.115711 0.606687 0.914309 O\n0.701402 0.509024 0.615711 O\n0.798598 0.414309 0.807622 O\n0.393313 0.085691 0.884289 O\n0.106687 0.990976 0.692378 O\n0.990976 0.692378 0.106687 O\n0.085691 0.884289 0.393313 O\n0.414309 0.807622 0.798598 O\n0.509024 0.615711 0.701402 O\n0.807622 0.798598 0.414309 O\n0.615711 0.701402 0.509024 O\n0.692378 0.106687 0.990976 O\n0.884289 0.393313 0.085691 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
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"Sc",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-O-Sc-Si",
"density": 3.619644801644333,
"density_atomic": 0.08766821860910953,
"volume": 912.5313741881744,
"volume_molar": 6.869240479096771,
"formula_full": "Ca12 Sc4 Fe4 Si12 O48",
"formula_reduced": "Ca3ScFe(SiO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -649.95184517,
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"energy_uncorrected": -607.95184517,
"band_gap": 3.0517000000000003,
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"total_magnetization": 20.0010964,
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"updated_at": "2021-11-28T01:35:57.793000Z",
"spacegroup": 206
},
{
"id": "mp-761199",
"created_at": "2022-09-04T14:43:05.650981Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n9.875381 0.000000 0.000000\n0.288791 9.881735 0.000000\n0.603110 0.490011 9.885645\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.049073 0.974952 0.010862 Li\n0.739906 0.140601 0.064829 Li\n0.071154 0.724269 0.137306 Li\n0.562623 0.642521 0.233995 Li\n0.855606 0.942871 0.272025 Li\n0.771075 0.417182 0.364168 Li\n0.360559 0.765182 0.436549 Li\n0.525722 0.450256 0.493129 Li\n0.231695 0.559941 0.640858 Li\n0.456783 0.365763 0.764744 Li\n0.130967 0.051685 0.738073 Li\n0.935819 0.272729 0.846320 Li\n0.019269 0.241050 0.475944 Mn\n0.966654 0.740035 0.527190 Mn\n0.745082 0.752513 0.753074 Mn\n0.761307 0.531681 0.972832 Mn\n0.256349 0.472673 0.031304 V\n0.246670 0.250269 0.252383 V\n0.464727 0.036140 0.250587 V\n0.529443 0.970007 0.748813 V\n0.669592 0.857461 0.052065 P\n0.953006 0.332909 0.141260 P\n0.551200 0.356687 0.172802 P\n0.144986 0.946534 0.326049 P\n0.170214 0.546292 0.352545 P\n0.642520 0.832950 0.448439 P\n0.352299 0.176767 0.549439 P\n0.824260 0.453694 0.646217 P\n0.843262 0.041822 0.670722 P\n0.453623 0.654773 0.827492 P\n0.050304 0.674044 0.857194 P\n0.320736 0.151857 0.953252 P\n0.619318 0.410124 0.035629 O\n0.906108 0.231257 0.043051 O\n0.329021 0.122540 0.112303 O\n0.115021 0.333811 0.120570 O\n0.690629 0.704975 0.089445 O\n0.895547 0.478232 0.106220 O\n0.783585 0.946953 0.092998 O\n0.531200 0.904323 0.117723 O\n0.392060 0.379794 0.167799 O\n0.587271 0.202952 0.185953 O\n0.202324 0.582224 0.198256 O\n0.060526 0.899891 0.211998 O\n0.121408 0.103995 0.327148 O\n0.594070 0.440190 0.289218 O\n0.911062 0.298679 0.290420 O\n0.299560 0.910656 0.312205 O\n0.170981 0.387895 0.377968 O\n0.379296 0.171527 0.388346 O\n0.026699 0.609049 0.386439 O\n0.600585 0.970092 0.377599 O\n0.552974 0.719242 0.407237 O\n0.274321 0.598574 0.444211 O\n0.795670 0.809378 0.412404 O\n0.092220 0.879515 0.464842 O\n0.873472 0.096495 0.526994 O\n0.199907 0.167809 0.587774 O\n0.417438 0.304413 0.592014 O\n0.712419 0.416522 0.556046 O\n0.421604 0.044549 0.610026 O\n0.964621 0.391914 0.607926 O\n0.618471 0.841925 0.607495 O\n0.833990 0.617059 0.623887 O\n0.087464 0.691946 0.703582 O\n0.687432 0.070532 0.711165 O\n0.404895 0.566801 0.718558 O\n0.872424 0.881624 0.676843 O\n0.933030 0.096997 0.774458 O\n0.426444 0.811063 0.796579 O\n0.793924 0.415613 0.798941 O\n0.613493 0.627850 0.828997 O\n0.451617 0.089319 0.883587 O\n0.191941 0.089849 0.911237 O\n0.119456 0.538420 0.906724 O\n0.327531 0.308461 0.921221 O\n0.889297 0.657215 0.880753 O\n0.083849 0.791066 0.942457 O\n0.662111 0.877710 0.891795 O\n0.391969 0.614130 0.968500 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8340657962450932,
"density_atomic": 0.08292737401073318,
"volume": 964.6995452870087,
"volume_molar": 7.261945566032951,
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{
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{
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.764275 0.000000 0.000000\n0.000000 8.575632 0.000000\n0.000000 0.342030 12.065163\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.512171 0.314875 0.404143 Li\n0.086249 0.329902 0.059646 Li\n0.779484 0.429600 0.572329 Li\n0.279484 0.570400 0.427671 Li\n0.586249 0.670098 0.940354 Li\n0.012171 0.685125 0.595857 Li\n0.985383 0.814408 0.902856 Li\n0.415202 0.830395 0.558766 Li\n0.720963 0.930746 0.072489 Li\n0.220963 0.069254 0.927511 Li\n0.915202 0.169605 0.441234 Li\n0.485383 0.185592 0.097144 Li\n0.036635 0.997537 0.140351 Mn\n0.471204 0.997740 0.355683 Mn\n0.536635 0.002463 0.859649 Mn\n0.971204 0.002260 0.644317 Mn\n0.027970 0.494170 0.854954 V\n0.464853 0.495102 0.641952 V\n0.527970 0.505830 0.145046 V\n0.964853 0.504898 0.358048 V\n0.248124 0.293878 0.260057 P\n0.382094 0.364409 0.904079 P\n0.111209 0.364564 0.603830 P\n0.882094 0.635591 0.095921 P\n0.611209 0.635436 0.396170 P\n0.748124 0.706122 0.739943 P\n0.249352 0.793034 0.759861 P\n0.389732 0.866824 0.100171 P\n0.118876 0.865863 0.397284 P\n0.889732 0.133176 0.899829 P\n0.618876 0.134137 0.602716 P\n0.749352 0.206966 0.240139 P\n0.893423 0.300857 0.855232 O\n0.867953 0.298520 0.306375 O\n0.663788 0.304474 0.150770 O\n0.580210 0.306253 0.563434 O\n0.360420 0.351061 0.168439 O\n0.205330 0.376355 0.920186 O\n0.421066 0.389954 0.781250 O\n0.994092 0.378451 0.504598 O\n0.269197 0.425616 0.562970 O\n0.177162 0.439378 0.315826 O\n0.471398 0.480935 0.974709 O\n0.050041 0.485362 0.688288 O\n0.550041 0.514638 0.311712 O\n0.971398 0.519065 0.025291 O\n0.677162 0.560622 0.684174 O\n0.769197 0.574384 0.437030 O\n0.921066 0.610046 0.218750 O\n0.494092 0.621549 0.495402 O\n0.705330 0.623645 0.079814 O\n0.860420 0.648939 0.831561 O\n0.163788 0.695526 0.849230 O\n0.080210 0.693747 0.436566 O\n0.393423 0.699143 0.144768 O\n0.367953 0.701480 0.693625 O\n0.626362 0.795381 0.803095 O\n0.613959 0.802708 0.350805 O\n0.918011 0.807076 0.057329 O\n0.831702 0.801475 0.647157 O\n0.136267 0.851416 0.665638 O\n0.297639 0.873443 0.415585 O\n0.507750 0.877138 0.999139 O\n0.083210 0.885263 0.273476 O\n0.230256 0.920340 0.058797 O\n0.319961 0.937385 0.814308 O\n0.030258 0.981488 0.467404 O\n0.451041 0.987713 0.182403 O\n0.951041 0.012287 0.817597 O\n0.530258 0.018512 0.532596 O\n0.819961 0.062615 0.185692 O\n0.730256 0.079660 0.941203 O\n0.007750 0.122862 0.000861 O\n0.583210 0.114737 0.726524 O\n0.797639 0.126557 0.584415 O\n0.636267 0.148584 0.334362 O\n0.418011 0.192924 0.942671 O\n0.331702 0.198525 0.352843 O\n0.126362 0.204619 0.196905 O\n0.113959 0.197292 0.649195 O\n",
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}
]
}