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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12169",
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"results": [
{
"id": "mp-759177",
"created_at": "2022-09-04T14:39:19.109933Z",
"structure_string": "Li6 Mn1 Co3 P6 O24\n1.0\n8.441181 0.000000 0.000000\n3.920651 7.510797 0.000000\n4.086062 2.354803 7.232733\nLi Mn Co P O\n6 1 3 6 24\ndirect\n0.976072 0.007729 0.986832 Li\n0.248274 0.646871 0.858261 Li\n0.524010 0.502663 0.495049 Li\n0.745178 0.348799 0.156457 Li\n0.341447 0.160857 0.730900 Li\n0.159300 0.741287 0.355977 Li\n0.146108 0.142493 0.149910 Mn\n0.854917 0.862190 0.851571 Co\n0.646447 0.647627 0.636622 Co\n0.351962 0.350579 0.350038 Co\n0.951800 0.550181 0.246136 P\n0.547885 0.252711 0.950919 P\n0.251678 0.947316 0.552202 P\n0.750794 0.045389 0.459959 P\n0.456508 0.750076 0.040623 P\n0.042043 0.462031 0.745159 P\n0.869463 0.514310 0.692428 O\n0.694468 0.885651 0.486347 O\n0.959325 0.729617 0.076951 O\n0.469014 0.704019 0.882163 O\n0.760648 0.570508 0.403677 O\n0.983036 0.384526 0.190368 O\n0.736455 0.093012 0.931484 O\n0.547762 0.420756 0.771289 O\n0.410668 0.754382 0.578816 O\n0.807667 0.011892 0.618717 O\n0.914442 0.066383 0.265347 O\n0.628439 0.800302 0.997590 O\n0.378670 0.197243 0.986702 O\n0.093476 0.930260 0.745247 O\n0.194928 0.968522 0.398756 O\n0.591041 0.239754 0.436723 O\n0.441302 0.588261 0.229118 O\n0.262839 0.911825 0.073977 O\n0.025882 0.617002 0.803234 O\n0.232814 0.442383 0.579016 O\n0.517854 0.307679 0.114953 O\n0.057754 0.267518 0.896131 O\n0.312038 0.112199 0.516585 O\n0.115589 0.512200 0.308767 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-Mn-O-P",
"density": 3.0534731390058982,
"density_atomic": 0.08723049185370495,
"volume": 458.5552500046012,
"volume_molar": 6.903710654411748,
"formula_full": "Li6 Mn1 Co3 P6 O24",
"formula_reduced": "Li6MnCo3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -285.91330854,
"energy_per_atom": -7.1478327135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.84330854,
"band_gap": 0.4883000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.886000Z",
"spacegroup": 1
},
{
"id": "mp-777053",
"created_at": "2022-09-04T14:39:19.955860Z",
"structure_string": "Li4 Mn3 Fe2 Sn3 O16\n1.0\n6.103796 0.000000 0.000000\n3.029174 5.324412 0.000000\n0.168986 0.029544 9.640162\nLi Mn Fe Sn O\n4 3 2 3 16\ndirect\n0.325406 0.332312 0.114198 Li\n0.018228 0.013260 0.006867 Li\n0.011154 0.010049 0.498572 Li\n0.661182 0.666502 0.604401 Li\n0.168401 0.169539 0.779757 Mn\n0.341942 0.830454 0.286197 Mn\n0.825117 0.340471 0.283245 Mn\n0.334181 0.326630 0.503979 Fe\n0.656400 0.662299 0.009962 Fe\n0.168651 0.658414 0.787611 Sn\n0.658815 0.168422 0.788670 Sn\n0.833041 0.828094 0.286646 Sn\n0.171479 0.674942 0.401619 O\n0.482644 0.477991 0.653508 O\n0.336936 0.340175 0.909005 O\n0.991729 0.989752 0.681445 O\n0.024784 0.987569 0.190789 O\n0.679697 0.169733 0.398584 O\n0.039096 0.470582 0.657646 O\n0.471189 0.039392 0.659861 O\n0.835736 0.837534 0.912623 O\n0.182378 0.152530 0.395399 O\n0.510080 0.957880 0.160761 O\n0.953358 0.508969 0.161453 O\n0.643416 0.680526 0.398103 O\n0.328056 0.843614 0.897143 O\n0.503247 0.535878 0.164448 O\n0.843357 0.326787 0.899670 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-Mn-O-Sn",
"density": 4.857051949066114,
"density_atomic": 0.08937211493250131,
"volume": 313.29682665725346,
"volume_molar": 6.738277106397502,
"formula_full": "Li4 Mn3 Fe2 Sn3 O16",
"formula_reduced": "Li4Mn3Fe2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -199.60507131,
"energy_per_atom": -7.128752546785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.09707131,
"band_gap": 0.2812999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.0008069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.598000Z",
"spacegroup": 1
},
{
"id": "mp-1040835",
"created_at": "2022-09-04T14:39:19.701978Z",
"structure_string": "La1 Cr1 Re1 O6\n1.0\n5.492302 0.003106 0.003282\n0.003199 5.489119 0.067448\n-2.747233 2.693077 3.900221\nLa Cr Re O\n1 1 1 6\ndirect\n0.755348 0.260319 0.501357 La\n0.000832 0.510319 0.999622 Cr\n0.501375 0.009904 0.001165 Re\n0.306157 0.253517 0.507583 O\n0.230508 0.282474 0.949983 O\n0.762956 0.728437 0.051112 O\n0.225107 0.793338 0.956105 O\n0.770022 0.233643 0.040896 O\n0.707933 0.769461 0.492590 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"La",
"Cr",
"Re",
"O"
],
"chemical_system": "Cr-La-O-Re",
"density": 6.735637148393098,
"density_atomic": 0.07716397383636309,
"volume": 116.63473966602275,
"volume_molar": 7.804342441941605,
"formula_full": "La1 Cr1 Re1 O6",
"formula_reduced": "LaCrReO6",
"formula_anonymous": "ABCD6",
"energy": -80.25290941,
"energy_per_atom": -8.916989934444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.13190941000002,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0001823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.110000Z",
"spacegroup": 1
},
{
"id": "mp-1346917",
"created_at": "2022-09-04T14:39:19.539376Z",
"structure_string": "Zn3 Cu2 As4 O16\n1.0\n5.445404 0.000000 0.000000\n2.556048 6.493706 0.000000\n1.620639 1.110794 9.275670\nZn Cu As O\n3 2 4 16\ndirect\n0.621206 0.829780 0.105180 Zn\n0.125499 0.814575 0.616801 Zn\n0.865866 0.190300 0.386113 Zn\n0.250988 0.496840 0.248187 Cu\n0.744498 0.499916 0.753388 Cu\n0.723986 0.724077 0.432642 As\n0.232588 0.722123 0.933318 As\n0.778531 0.268855 0.064841 As\n0.282187 0.268913 0.575351 As\n0.561780 0.504286 0.137093 O\n0.056039 0.505727 0.634028 O\n0.937296 0.493207 0.363828 O\n0.439056 0.489764 0.863278 O\n0.009514 0.158384 0.183879 O\n0.528585 0.146140 0.675821 O\n0.494338 0.846632 0.316994 O\n0.995930 0.842581 0.819340 O\n0.603508 0.120049 0.051426 O\n0.101015 0.123459 0.544711 O\n0.047032 0.654920 0.095920 O\n0.545771 0.657083 0.596166 O\n0.446464 0.345225 0.404516 O\n0.938926 0.356304 0.903367 O\n0.902284 0.874777 0.454063 O\n0.397604 0.877115 0.953291 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"As",
"O"
],
"chemical_system": "As-Cu-O-Zn",
"density": 4.450080628436281,
"density_atomic": 0.07622053469155854,
"volume": 327.9955998887628,
"volume_molar": 7.900942684763079,
"formula_full": "Zn3 Cu2 As4 O16",
"formula_reduced": "Zn3Cu2(AsO4)4",
"formula_anonymous": "A2B3C4D16",
"energy": -147.08412694,
"energy_per_atom": -5.883365077600001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -136.09212694,
"band_gap": 0.5019,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.389000Z",
"spacegroup": 1
},
{
"id": "mp-1245216",
"created_at": "2022-09-04T14:39:19.392071Z",
"structure_string": "Zn50 S50\n1.0\n11.860548 -0.095675 -0.412960\n-0.038202 13.708630 -0.121844\n-0.506687 -0.144852 14.083961\nZn S\n50 50\ndirect\n0.306597 0.801444 0.142419 Zn\n0.054352 0.942677 0.949441 Zn\n0.537823 0.011766 0.812780 Zn\n0.180484 0.255398 0.274662 Zn\n0.022213 0.729323 0.254308 Zn\n0.381251 0.413528 0.428707 Zn\n0.136049 0.213698 0.707860 Zn\n0.874934 0.835460 0.938900 Zn\n0.910963 0.560649 0.783587 Zn\n0.111863 0.296679 0.536352 Zn\n0.581675 0.141212 0.584067 Zn\n0.978899 0.977594 0.593198 Zn\n0.258770 0.333469 0.811148 Zn\n0.199428 0.538906 0.554123 Zn\n0.893364 0.503263 0.479494 Zn\n0.599819 0.223413 0.410538 Zn\n0.223162 0.150985 0.084383 Zn\n0.847732 0.090847 0.677985 Zn\n0.343257 0.906529 0.896744 Zn\n0.186017 0.364713 0.122089 Zn\n0.124283 0.715192 0.869517 Zn\n0.612241 0.903958 0.401031 Zn\n0.858899 0.334106 0.646692 Zn\n0.766156 0.028301 0.358926 Zn\n0.166726 0.123914 0.554269 Zn\n0.729974 0.023002 0.533240 Zn\n0.749564 0.845316 0.204453 Zn\n0.601765 0.742692 0.823154 Zn\n0.316903 0.963929 0.636187 Zn\n0.514155 0.086685 0.179755 Zn\n0.661417 0.478824 0.953539 Zn\n0.734340 0.580398 0.648426 Zn\n0.387215 0.210061 0.982409 Zn\n0.864742 0.019591 0.962191 Zn\n0.390196 0.057498 0.413962 Zn\n0.177360 0.207785 0.912239 Zn\n0.902739 0.427056 0.187208 Zn\n0.360926 0.602877 0.945067 Zn\n0.116354 0.508995 0.709029 Zn\n0.757440 0.734413 0.428972 Zn\n0.015447 0.394440 0.822192 Zn\n0.609878 0.457542 0.390478 Zn\n0.377552 0.307874 0.196592 Zn\n0.853593 0.652360 0.057909 Zn\n0.988389 0.126993 0.215888 Zn\n0.599717 0.397139 0.171121 Zn\n0.520910 0.785181 0.608511 Zn\n0.525496 0.860711 0.042200 Zn\n0.264227 0.621034 0.322066 Zn\n0.939596 0.661825 0.642140 Zn\n0.370239 0.109957 0.564421 S\n0.356804 0.837682 0.523552 S\n0.713875 0.015839 0.187245 S\n0.951832 0.750290 0.408382 S\n0.251941 0.607295 0.811224 S\n0.199537 0.354870 0.405014 S\n0.829046 0.091027 0.109603 S\n0.431125 0.705669 0.060295 S\n0.681381 0.789879 0.962575 S\n0.944695 0.231141 0.753888 S\n0.780722 0.439464 0.839571 S\n0.753057 0.380762 0.289799 S\n0.473647 0.017813 0.961810 S\n0.188177 0.530001 0.182115 S\n0.090115 0.768618 0.710552 S\n0.745145 0.231714 0.309173 S\n0.548599 0.351866 0.505152 S\n0.010822 0.295511 0.165549 S\n0.685882 0.848398 0.554034 S\n0.059445 0.016421 0.446902 S\n0.940796 0.113815 0.378250 S\n0.677717 0.193065 0.833056 S\n0.208804 0.773768 0.274388 S\n0.047785 0.106575 0.973254 S\n0.703162 0.412813 0.701383 S\n0.410328 0.894433 0.396072 S\n0.446032 0.168452 0.311936 S\n0.923044 0.345812 0.502746 S\n0.565360 0.647189 0.697934 S\n0.464078 0.463493 0.265933 S\n0.530576 0.243341 0.102519 S\n0.932077 0.833125 0.674874 S\n0.746979 0.052419 0.823835 S\n0.639407 0.768389 0.299251 S\n0.348064 0.578855 0.465734 S\n0.446748 0.341765 0.868922 S\n0.750083 0.515032 0.098001 S\n0.149379 0.378706 0.950729 S\n0.179329 0.090448 0.227540 S\n0.905155 0.800361 0.134474 S\n0.020187 0.633141 0.492691 S\n0.200097 0.840446 0.973716 S\n0.435193 0.875367 0.756477 S\n0.451957 0.925159 0.178536 S\n0.718969 0.576113 0.478087 S\n0.148300 0.026087 0.697954 S\n0.018054 0.567099 0.184257 S\n0.941025 0.672500 0.913741 S\n0.472356 0.457587 0.968655 S\n0.533061 0.168259 0.743300 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.538992931536629,
"density_atomic": 0.04372922746521883,
"volume": 2286.800060200871,
"volume_molar": 13.77143185250612,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -329.37440096999995,
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"band_gap": 0.8600999999999999,
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"updated_at": "2021-11-28T01:34:31.990000Z",
"spacegroup": 1
},
{
"id": "mp-1176881",
"created_at": "2022-09-04T14:39:19.420440Z",
"structure_string": "Li14 V6 P16 O58\n1.0\n9.835243 0.000000 0.000000\n4.916832 8.538840 0.000000\n0.104266 0.028168 13.931912\nLi V P O\n14 6 16 58\ndirect\n0.326592 0.907813 0.064557 Li\n0.767383 0.901358 0.557945 Li\n0.667882 0.659994 0.885997 Li\n0.902201 0.768803 0.064844 Li\n0.764489 0.326638 0.062759 Li\n0.097051 0.662333 0.437149 Li\n0.905491 0.329976 0.561215 Li\n0.093347 0.232714 0.938459 Li\n0.330656 0.344996 0.614337 Li\n0.231487 0.093911 0.434302 Li\n0.686612 0.224101 0.437363 Li\n0.650556 0.110062 0.948536 Li\n0.049810 0.927559 0.984521 Li\n0.079426 0.930219 0.520005 Li\n0.999562 0.567492 0.248022 V\n0.998963 0.436692 0.753461 V\n0.431635 0.570364 0.749407 V\n0.558622 0.439619 0.251800 V\n0.432724 0.999542 0.249978 V\n0.562906 0.000552 0.746277 V\n0.312693 0.910927 0.840360 P\n0.304873 0.775368 0.343897 P\n0.771977 0.910213 0.341925 P\n0.667466 0.663646 0.127701 P\n0.666706 0.666129 0.626806 P\n0.901253 0.778908 0.846270 P\n0.089826 0.686365 0.661163 P\n0.768687 0.316607 0.843833 P\n0.224078 0.692478 0.156176 P\n0.909037 0.319304 0.342313 P\n0.083760 0.231573 0.156740 P\n0.330808 0.336525 0.372290 P\n0.342187 0.330021 0.871751 P\n0.223694 0.090385 0.653191 P\n0.681715 0.229621 0.655616 P\n0.685865 0.089309 0.159507 P\n0.219070 0.006766 0.564409 O\n0.326333 0.918775 0.342173 O\n0.212535 0.794539 0.072373 O\n0.335226 0.746462 0.840155 O\n0.475445 0.900568 0.831623 O\n0.512412 0.810987 0.157897 O\n0.624719 0.900469 0.329794 O\n0.777106 0.002612 0.070189 O\n0.737906 0.928736 0.842222 O\n0.522040 0.663585 0.675193 O\n0.463471 0.622028 0.330310 O\n0.666273 0.815778 0.672614 O\n0.681906 0.644620 0.019727 O\n0.660749 0.681413 0.520669 O\n0.811952 0.676513 0.165817 O\n0.625419 0.482495 0.830834 O\n0.675566 0.513619 0.173837 O\n0.920865 0.743008 0.338111 O\n0.994589 0.789430 0.753113 O\n0.000013 0.776395 0.572087 O\n0.986328 0.780096 0.935263 O\n0.881946 0.633837 0.834699 O\n0.814366 0.516460 0.664166 O\n0.083278 0.662430 0.156142 O\n0.905998 0.474949 0.328536 O\n0.742030 0.341530 0.343898 O\n0.199532 0.794485 0.250899 O\n0.210658 0.774320 0.429112 O\n0.770967 0.234793 0.568342 O\n0.250961 0.673139 0.662811 O\n0.108772 0.521731 0.669896 O\n0.919171 0.327348 0.844230 O\n0.188839 0.489792 0.331197 O\n0.091693 0.383144 0.173749 O\n0.993612 0.242728 0.066637 O\n0.998529 0.230422 0.430648 O\n0.993372 0.212627 0.248502 O\n0.079862 0.255207 0.658645 O\n0.340687 0.476009 0.824355 O\n0.381647 0.539107 0.164806 O\n0.186276 0.334819 0.846340 O\n0.388405 0.302264 0.974815 O\n0.333150 0.349312 0.480376 O\n0.322369 0.190976 0.340615 O\n0.517305 0.375954 0.666531 O\n0.486710 0.325192 0.329499 O\n0.246927 0.086637 0.155946 O\n0.211457 0.999999 0.747134 O\n0.220798 0.000312 0.928919 O\n0.374798 0.101959 0.662253 O\n0.479246 0.184458 0.814569 O\n0.529060 0.096884 0.171317 O\n0.667400 0.255058 0.162583 O\n0.758351 0.232088 0.931861 O\n0.782032 0.213541 0.750266 O\n0.667009 0.080458 0.652998 O\n0.776899 0.993300 0.432246 O\n0.795684 0.999981 0.251580 O\n",
"nsites": 94,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5920464917533725,
"density_atomic": 0.08034024663018542,
"volume": 1170.0237918448502,
"volume_molar": 7.495795709615561,
"formula_full": "Li14 V6 P16 O58",
"formula_reduced": "Li7V3P8O29",
"formula_anonymous": "A3B7C8D29",
"energy": -705.6373527300001,
"energy_per_atom": -7.50678034819149,
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"energy_uncorrected": -655.59135273,
"band_gap": 0.4007,
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"updated_at": "2021-11-28T01:34:41.744000Z",
"spacegroup": 1
},
{
"id": "mp-1235434",
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{
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{
"id": "mp-1228616",
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"structure_string": "Ba4 Pb8 S12 O48\n1.0\n8.711293 0.000000 0.000000\n-0.042620 9.037195 0.000000\n-0.043276 -1.127010 13.124007\nBa Pb S O\n4 8 12 48\ndirect\n0.682001 0.688674 0.969252 Ba\n0.683179 0.023416 0.635923 Ba\n0.682982 0.356343 0.304042 Ba\n0.181679 0.810501 0.030178 Ba\n0.188510 0.136932 0.693463 Pb\n0.188968 0.470048 0.360369 Pb\n0.305006 0.305482 0.025242 Pb\n0.304158 0.635956 0.693516 Pb\n0.304147 0.969429 0.361588 Pb\n0.806902 0.196667 0.971882 Pb\n0.809723 0.528619 0.639396 Pb\n0.805965 0.861907 0.306988 Pb\n0.942855 0.206995 0.478545 S\n0.940113 0.539658 0.146098 S\n0.940068 0.874505 0.810941 S\n0.431945 0.295035 0.522472 S\n0.434530 0.626316 0.189926 S\n0.434655 0.961943 0.854290 S\n0.064308 0.129179 0.189578 S\n0.065578 0.457356 0.853752 S\n0.065111 0.793538 0.521673 S\n0.565520 0.040717 0.145357 S\n0.563080 0.372413 0.811000 S\n0.562923 0.706053 0.478246 S\n0.093803 0.145899 0.447893 O\n0.092493 0.483429 0.113554 O\n0.092476 0.812529 0.784405 O\n0.589070 0.348461 0.549264 O\n0.590510 0.681055 0.218683 O\n0.590606 0.018612 0.881176 O\n0.911465 0.185016 0.217787 O\n0.914188 0.517305 0.883891 O\n0.911924 0.850062 0.549606 O\n0.413186 0.980592 0.115449 O\n0.410766 0.311938 0.781007 O\n0.410534 0.646093 0.447826 O\n0.813122 0.114150 0.432061 O\n0.812412 0.444594 0.099494 O\n0.812485 0.780417 0.763018 O\n0.310072 0.391862 0.570938 O\n0.311189 0.724660 0.235437 O\n0.311293 0.055586 0.904684 O\n0.191251 0.223516 0.236474 O\n0.195053 0.548444 0.899412 O\n0.191755 0.888213 0.569148 O\n0.693334 0.949721 0.099943 O\n0.692170 0.282431 0.766110 O\n0.691856 0.616023 0.433179 O\n0.927772 0.215252 0.592549 O\n0.927769 0.545825 0.260106 O\n0.919421 0.885584 0.924425 O\n0.411374 0.287121 0.408566 O\n0.418405 0.614433 0.076172 O\n0.412290 0.957187 0.740592 O\n0.082140 0.973716 0.222343 O\n0.080280 0.301766 0.886832 O\n0.082335 0.638508 0.555034 O\n0.580701 0.196348 0.112424 O\n0.578627 0.528182 0.778384 O\n0.578628 0.862025 0.445315 O\n0.081694 0.121032 0.075005 O\n0.079785 0.450029 0.738990 O\n0.083113 0.785977 0.407233 O\n0.581072 0.048669 0.260164 O\n0.578512 0.380601 0.925952 O\n0.578197 0.714445 0.592957 O\n0.927846 0.361933 0.446299 O\n0.919583 0.694651 0.115580 O\n0.927480 0.028433 0.776911 O\n0.411422 0.140368 0.554963 O\n0.412197 0.473112 0.224614 O\n0.418439 0.806513 0.884431 O\n",
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{
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}
]
}