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{
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"results": [
{
"id": "mp-1094731",
"created_at": "2022-09-04T14:46:06.795557Z",
"structure_string": "Sr1 Mg3\n1.0\n4.942526 0.000000 0.000000\n0.000000 4.942526 0.000000\n0.000000 0.000000 4.942526\nSr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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{
"id": "mp-1218937",
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"nsites": 4,
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"formula_full": "Sn1 Pd3",
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"spacegroup": 166
},
{
"id": "mp-1106292",
"created_at": "2022-09-04T14:46:06.923872Z",
"structure_string": "C8 Se4 N8\n1.0\n3.933095 -4.195964 0.000000\n3.933095 4.195964 0.000000\n0.000000 0.000000 14.036702\nC Se N\n8 4 8\ndirect\n0.351449 0.022214 0.624290 C\n0.977786 0.648551 0.375710 C\n0.477786 0.148551 0.124290 C\n0.851449 0.522214 0.875710 C\n0.648551 0.977786 0.375710 C\n0.022214 0.351449 0.624290 C\n0.522214 0.851449 0.875710 C\n0.148551 0.477786 0.124290 C\n0.349003 0.349003 0.624482 Se\n0.650997 0.650997 0.375518 Se\n0.150997 0.150997 0.124482 Se\n0.849003 0.849003 0.875518 Se\n0.390526 0.825274 0.623728 N\n0.174726 0.609474 0.376272 N\n0.674726 0.109474 0.123728 N\n0.890526 0.325274 0.876272 N\n0.609474 0.174726 0.376272 N\n0.825274 0.390526 0.623728 N\n0.325274 0.890526 0.876272 N\n0.109474 0.674726 0.123728 N\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "C-N-Se",
"density": 1.8780272062838974,
"density_atomic": 0.04316867612782948,
"volume": 463.2988961898378,
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"formula_full": "C8 Se4 N8",
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"total_magnetization": 1.46e-05,
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"updated_at": "2021-11-28T01:37:23.510000Z",
"spacegroup": 64
},
{
"id": "mp-1210098",
"created_at": "2022-09-04T14:46:07.174175Z",
"structure_string": "Rb8 Ce4 Cl20\n1.0\n8.228742 0.000000 0.000000\n0.000000 9.072563 0.000000\n0.000000 0.000000 13.619847\nRb Ce Cl\n8 4 20\ndirect\n0.532400 0.499307 0.825945 Rb\n0.467600 0.500693 0.174055 Rb\n0.032400 0.500693 0.674055 Rb\n0.467600 0.999307 0.174055 Rb\n0.967600 0.499307 0.325945 Rb\n0.532400 0.000693 0.825945 Rb\n0.967600 0.000693 0.325945 Rb\n0.032400 0.999307 0.674055 Rb\n0.570518 0.750000 0.503037 Ce\n0.429482 0.250000 0.496963 Ce\n0.070518 0.250000 0.996963 Ce\n0.929482 0.750000 0.003037 Ce\n0.829649 0.750000 0.805067 Cl\n0.170351 0.250000 0.194933 Cl\n0.329649 0.250000 0.694933 Cl\n0.670351 0.750000 0.305067 Cl\n0.361715 0.750000 0.664867 Cl\n0.638285 0.250000 0.335133 Cl\n0.861715 0.250000 0.835133 Cl\n0.138285 0.750000 0.164867 Cl\n0.912223 0.750000 0.511281 Cl\n0.087777 0.250000 0.488719 Cl\n0.412223 0.250000 0.988719 Cl\n0.587777 0.750000 0.011281 Cl\n0.650851 0.038015 0.580967 Cl\n0.349149 0.961985 0.419033 Cl\n0.150851 0.961985 0.919033 Cl\n0.349149 0.538015 0.419033 Cl\n0.849149 0.038015 0.080967 Cl\n0.650851 0.461985 0.580967 Cl\n0.849149 0.461985 0.080967 Cl\n0.150851 0.538015 0.919033 Cl\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Ce-Cl-Rb",
"density": 3.189884141164245,
"density_atomic": 0.031471273043466204,
"volume": 1016.8003040678892,
"volume_molar": 19.135357987211343,
"formula_full": "Rb8 Ce4 Cl20",
"formula_reduced": "Rb2CeCl5",
"formula_anonymous": "AB2C5",
"energy": -151.7919133,
"energy_per_atom": -4.743497290625,
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"updated_at": "2021-11-28T01:37:22.305000Z",
"spacegroup": 62
},
{
"id": "mp-1175305",
"created_at": "2022-09-04T14:46:07.221782Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n1.441599 4.915277 0.000000\n-1.441599 4.915277 0.000000\n0.000000 2.418121 15.507478\nLi Mn Co O\n7 4 1 12\ndirect\n0.259034 0.259034 0.075297 Li\n0.749799 0.749799 0.250789 Li\n0.246957 0.246957 0.423565 Li\n0.741791 0.741791 0.586657 Li\n0.246379 0.246379 0.757601 Li\n0.753451 0.753451 0.907125 Li\n0.500481 0.500481 0.831555 Li\n0.013113 0.013113 0.987364 Mn\n0.992532 0.992532 0.674934 Mn\n0.508402 0.508402 0.162112 Mn\n0.994771 0.994771 0.338087 Mn\n0.491588 0.491588 0.506322 Co\n0.396084 0.396084 0.961666 O\n0.898639 0.898639 0.119317 O\n0.384134 0.384134 0.296768 O\n0.872892 0.872892 0.467340 O\n0.386260 0.386260 0.630269 O\n0.880965 0.880965 0.779953 O\n0.120715 0.120715 0.200095 O\n0.607820 0.607820 0.376628 O\n0.106336 0.106336 0.550042 O\n0.606907 0.606907 0.704136 O\n0.120071 0.120071 0.882123 O\n0.620879 0.620879 0.030258 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9235090205406555,
"density_atomic": 0.10920627721121116,
"volume": 219.7675867439619,
"volume_molar": 5.51446392440687,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.52418167,
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"updated_at": "2021-11-28T01:37:26.900000Z",
"spacegroup": 8
},
{
"id": "mp-1176557",
"created_at": "2022-09-04T14:46:07.310524Z",
"structure_string": "Li2 V8 O2 F22\n1.0\n5.194455 0.000000 0.000000\n-2.587496 -4.862909 0.000000\n-2.372538 0.921924 -16.999335\nLi V O F\n2 8 2 22\ndirect\n0.562833 0.447002 0.667088 Li\n0.437167 0.552998 0.332912 Li\n0.737722 0.150340 0.381042 V\n0.500000 0.500000 0.500000 V\n0.262278 0.849660 0.618958 V\n0.500000 0.000000 0.000000 V\n0.247607 0.376339 0.125006 V\n0.998932 0.242323 0.749521 V\n0.001068 0.757677 0.250479 V\n0.752393 0.623661 0.874994 V\n0.561694 0.351800 0.406848 O\n0.438306 0.648200 0.593152 O\n0.520262 0.205749 0.570527 F\n0.479738 0.794251 0.429473 F\n0.514761 0.311492 0.935532 F\n0.437789 0.164194 0.091751 F\n0.449818 0.471564 0.777736 F\n0.550182 0.528436 0.222264 F\n0.562211 0.835806 0.908249 F\n0.561986 0.038615 0.718349 F\n0.058074 0.268182 0.467584 F\n0.485239 0.688508 0.064468 F\n0.986343 0.546010 0.689527 F\n0.438014 0.961385 0.281651 F\n0.942307 0.410165 0.842132 F\n0.930445 0.207853 0.033084 F\n0.941926 0.731818 0.532416 F\n0.091597 0.095607 0.662545 F\n0.069555 0.792147 0.966916 F\n0.057693 0.589835 0.157868 F\n0.994549 0.937792 0.812782 F\n0.013657 0.453990 0.310473 F\n0.005451 0.062208 0.187218 F\n0.908403 0.904393 0.337455 F\n",
"nsites": 34,
"nelements": 4,
"elements": [
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"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.369670692760046,
"density_atomic": 0.07917915335468001,
"volume": 429.40595547540516,
"volume_molar": 7.605715020750536,
"formula_full": "Li2 V8 O2 F22",
"formula_reduced": "LiV4OF11",
"formula_anonymous": "ABC4D11",
"energy": -234.14113932,
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"spacegroup": 2
},
{
"id": "mp-673024",
"created_at": "2022-09-04T14:46:06.816310Z",
"structure_string": "Li2 Sn8 P6 O24\n1.0\n8.727594 -4.892739 0.000000\n8.727594 4.892739 0.000000\n5.984696 0.000000 8.018304\nLi Sn P O\n2 8 6 24\ndirect\n0.043133 0.043133 0.043133 Li\n0.543133 0.543133 0.543133 Li\n0.587088 0.257180 0.128167 Sn\n0.757180 0.087088 0.628167 Sn\n0.257180 0.128167 0.587088 Sn\n0.190280 0.190280 0.190280 Sn\n0.690280 0.690280 0.690280 Sn\n0.628167 0.757180 0.087088 Sn\n0.087088 0.628167 0.757180 Sn\n0.128167 0.587088 0.257180 Sn\n0.290778 0.733643 0.829422 P\n0.829422 0.290778 0.733643 P\n0.233643 0.790778 0.329422 P\n0.329422 0.233643 0.790778 P\n0.790778 0.329422 0.233643 P\n0.733643 0.829422 0.290778 P\n0.500267 0.155037 0.672161 O\n0.256110 0.743050 0.688992 O\n0.258528 0.911603 0.811145 O\n0.655037 0.000267 0.172161 O\n0.155037 0.672161 0.500267 O\n0.411603 0.758528 0.311145 O\n0.672161 0.500267 0.155037 O\n0.243050 0.756110 0.188992 O\n0.620265 0.815119 0.475175 O\n0.311145 0.411603 0.758528 O\n0.815119 0.475175 0.620265 O\n0.000267 0.172161 0.655037 O\n0.975175 0.315119 0.120265 O\n0.756110 0.188992 0.243050 O\n0.811145 0.258528 0.911603 O\n0.120265 0.975175 0.315119 O\n0.743050 0.688992 0.256110 O\n0.475175 0.620265 0.815119 O\n0.688992 0.256110 0.743050 O\n0.911603 0.811145 0.258528 O\n0.188992 0.243050 0.756110 O\n0.758528 0.311145 0.411603 O\n0.315119 0.120265 0.975175 O\n0.172161 0.655037 0.000267 O\n",
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],
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"formula_full": "Li2 Sn8 P6 O24",
"formula_reduced": "LiSn4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -280.24162348,
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"spacegroup": 161
},
{
"id": "mp-1247127",
"created_at": "2022-09-04T14:46:06.903105Z",
"structure_string": "Mg2 Ti2 Ni2 S8\n1.0\n6.280099 0.000835 3.627489\n2.080622 5.845803 3.650848\n0.031962 0.051252 7.199548\nMg Ti Ni S\n2 2 2 8\ndirect\n0.871141 0.878494 0.878492 Mg\n0.128855 0.121511 0.121515 Mg\n0.500005 0.499991 0.000000 Ti\n0.499995 0.999996 0.500009 Ti\n0.500005 0.500015 0.499976 Ni\n0.000000 0.499996 0.500011 Ni\n0.743148 0.737803 0.737797 S\n0.262843 0.272799 0.704949 S\n0.262842 0.704951 0.272797 S\n0.717178 0.264600 0.264590 S\n0.737148 0.295054 0.727189 S\n0.282823 0.735392 0.735409 S\n0.256850 0.262189 0.262217 S\n0.737171 0.727206 0.295049 S\n",
"nsites": 14,
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"elements": [
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"Ti",
"Ni",
"S"
],
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"density": 3.2742306555685987,
"density_atomic": 0.0532657721965839,
"volume": 262.8329492404855,
"volume_molar": 11.305835833515278,
"formula_full": "Mg2 Ti2 Ni2 S8",
"formula_reduced": "MgTiNiS4",
"formula_anonymous": "ABCD4",
"energy": -80.51517171,
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"spacegroup": 74
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{
"id": "mp-18808",
"created_at": "2022-09-04T14:46:06.904038Z",
"structure_string": "Lu6 Mn6 O18\n1.0\n3.051422 -5.285218 0.000000\n3.051422 5.285218 0.000000\n0.000000 0.000000 11.445298\nLu Mn O\n6 6 18\ndirect\n0.666667 0.333333 0.231500 Lu\n0.333333 0.666667 0.731500 Lu\n0.666667 0.333333 0.731500 Lu\n0.333333 0.666667 0.231500 Lu\n0.000000 0.000000 0.775265 Lu\n0.000000 0.000000 0.275265 Lu\n0.666725 0.000000 0.500736 Mn\n0.666725 0.666725 0.000736 Mn\n0.000000 0.333275 0.000736 Mn\n0.000000 0.666725 0.500736 Mn\n0.333275 0.333275 0.500736 Mn\n0.333275 0.000000 0.000736 Mn\n0.666667 0.333333 0.023977 O\n0.333333 0.666667 0.523977 O\n0.666667 0.333333 0.523977 O\n0.333333 0.666667 0.023977 O\n0.000000 0.000000 0.973245 O\n0.000000 0.000000 0.473245 O\n0.360791 0.000000 0.834376 O\n0.360791 0.360791 0.334376 O\n0.000000 0.639209 0.334376 O\n0.000000 0.360791 0.834376 O\n0.639209 0.639209 0.834376 O\n0.639209 0.000000 0.334376 O\n0.305859 0.000000 0.167400 O\n0.305859 0.305859 0.667400 O\n0.000000 0.694141 0.667400 O\n0.000000 0.305859 0.167400 O\n0.694141 0.694141 0.167400 O\n0.694141 0.000000 0.667400 O\n",
"nsites": 30,
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"elements": [
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"volume": 369.1664956356745,
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"formula_full": "Lu6 Mn6 O18",
"formula_reduced": "LuMnO3",
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{
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"created_at": "2022-09-04T14:46:06.917765Z",
"structure_string": "Ca4 Ti4 Ge8 O24\n1.0\n8.694751 0.000000 0.000000\n0.000000 5.417338 0.000000\n0.000000 2.688052 11.887462\nCa Ti Ge O\n4 4 8 24\ndirect\n0.417642 0.520873 0.262359 Ca\n0.917642 0.979127 0.737641 Ca\n0.582358 0.479127 0.737641 Ca\n0.082358 0.020873 0.262359 Ca\n0.664263 0.018788 0.279858 Ti\n0.164263 0.481212 0.720142 Ti\n0.335737 0.981212 0.720142 Ti\n0.835737 0.518788 0.279858 Ti\n0.367429 0.167304 0.069958 Ge\n0.867429 0.332696 0.930042 Ge\n0.632571 0.832696 0.930042 Ge\n0.132571 0.667304 0.069958 Ge\n0.352455 0.875207 0.477893 Ge\n0.852455 0.624793 0.522107 Ge\n0.647545 0.124793 0.522107 Ge\n0.147545 0.375207 0.477893 Ge\n0.252795 0.651383 0.402781 O\n0.752795 0.848617 0.597219 O\n0.747205 0.348617 0.597219 O\n0.247205 0.151383 0.402781 O\n0.278150 0.854562 0.146057 O\n0.778150 0.645438 0.853943 O\n0.721850 0.145438 0.853943 O\n0.221850 0.354562 0.146057 O\n0.959860 0.359198 0.424023 O\n0.459860 0.140802 0.575977 O\n0.040140 0.640802 0.575977 O\n0.540140 0.859198 0.424023 O\n0.992944 0.676541 0.194963 O\n0.492944 0.823459 0.805037 O\n0.007056 0.323459 0.805037 O\n0.507056 0.176541 0.194963 O\n0.335172 0.274821 0.779413 O\n0.835172 0.225179 0.220587 O\n0.664828 0.725179 0.220587 O\n0.164828 0.774821 0.779413 O\n0.340980 0.700204 0.618841 O\n0.840980 0.799796 0.381159 O\n0.659020 0.299796 0.381159 O\n0.159020 0.200204 0.618841 O\n",
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"formula_full": "Ca4 Ti4 Ge8 O24",
"formula_reduced": "CaTi(GeO3)2",
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"updated_at": "2021-11-28T01:37:15.439000Z",
"spacegroup": 14
},
{
"id": "mp-1174091",
"created_at": "2022-09-04T14:46:06.923905Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n2.752881 -0.000665 0.813301\n-2.270592 10.063051 2.611857\n-2.761203 -0.024785 9.346646\nLi Mn Co O\n10 4 2 16\ndirect\n0.625086 0.250215 0.874907 Li\n0.124915 0.249785 0.375094 Li\n0.569751 0.139653 0.185491 Li\n0.069952 0.139924 0.685216 Li\n0.180250 0.360347 0.064509 Li\n0.680050 0.360076 0.564784 Li\n0.809007 0.617777 0.936329 Li\n0.309205 0.618155 0.435862 Li\n0.440794 0.881842 0.814144 Li\n0.940994 0.882225 0.313671 Li\n0.005462 0.011483 0.006430 Mn\n0.505626 0.011294 0.506332 Mn\n0.744529 0.488516 0.243569 Mn\n0.244373 0.488705 0.743667 Mn\n0.375000 0.750000 0.125001 Co\n0.875001 0.750001 0.625000 Co\n0.086800 0.173552 0.034601 O\n0.586812 0.173361 0.534663 O\n0.663200 0.326447 0.215398 O\n0.163189 0.326640 0.715337 O\n0.723520 0.447176 0.881267 O\n0.223921 0.447572 0.380830 O\n0.026482 0.052825 0.368733 O\n0.526077 0.052427 0.869167 O\n0.342365 0.684464 0.761999 O\n0.843146 0.686050 0.262225 O\n0.906854 0.813949 0.987776 O\n0.407637 0.815537 0.488002 O\n0.971507 0.943294 0.647794 O\n0.471090 0.943525 0.147938 O\n0.278908 0.556474 0.102060 O\n0.778495 0.556707 0.602205 O\n",
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9077825802597888,
"density_atomic": 0.11358090350112554,
"volume": 281.7375017595532,
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"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
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"updated_at": "2021-11-28T01:37:17.650000Z",
"spacegroup": 12
},
{
"id": "mp-1041860",
"created_at": "2022-09-04T14:46:07.115667Z",
"structure_string": "Te2 W4 O16\n1.0\n5.748535 0.000000 0.000000\n0.000000 5.279015 0.000000\n0.000000 4.034788 10.140982\nTe W O\n2 4 16\ndirect\n0.403818 0.500000 0.750000 Te\n0.596182 0.500000 0.250000 Te\n0.153187 0.249642 0.509563 W\n0.153187 0.750358 0.990437 W\n0.846813 0.750358 0.490437 W\n0.846813 0.249642 0.009563 W\n0.389894 0.719224 0.882234 O\n0.389894 0.280776 0.617766 O\n0.610106 0.280776 0.117766 O\n0.610106 0.719224 0.382234 O\n0.874934 0.138230 0.409911 O\n0.874934 0.861770 0.090089 O\n0.125066 0.861770 0.590089 O\n0.125066 0.138230 0.909911 O\n0.637328 0.266488 0.865756 O\n0.637328 0.733512 0.634244 O\n0.362672 0.733512 0.134244 O\n0.362672 0.266488 0.365756 O\n0.922810 0.639002 0.892530 O\n0.077190 0.360998 0.107470 O\n0.922810 0.360998 0.607470 O\n0.077190 0.639002 0.392530 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "O-Te-W",
"density": 6.726185680054342,
"density_atomic": 0.07148790879678793,
"volume": 307.74434964292163,
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"formula_full": "Te2 W4 O16",
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"formula_anonymous": "AB2C8",
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"updated_at": "2021-11-28T01:37:26.475000Z",
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}
]
}