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{
"id": "mp-1043246",
"created_at": "2022-09-04T14:39:06.009588Z",
"structure_string": "Mn4 Zn2 O10\n1.0\n1.839563 -4.847768 0.000000\n1.839563 4.847768 0.000000\n0.000000 0.000000 11.645003\nMn Zn O\n4 2 10\ndirect\n0.780907 0.219093 0.598379 Mn\n0.219093 0.780907 0.401621 Mn\n0.219093 0.780907 0.098379 Mn\n0.780907 0.219093 0.901621 Mn\n0.081995 0.918005 0.750000 Zn\n0.918005 0.081995 0.250000 Zn\n0.302314 0.697686 0.250000 O\n0.697686 0.302314 0.750000 O\n0.764876 0.235124 0.074924 O\n0.235124 0.764876 0.925076 O\n0.235124 0.764876 0.574924 O\n0.764876 0.235124 0.425076 O\n0.958754 0.041246 0.618320 O\n0.041246 0.958754 0.381680 O\n0.958754 0.041246 0.881680 O\n0.041246 0.958754 0.118320 O\n",
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{
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"structure_string": "Li4 V2 P2 C2 O14\n1.0\n8.413782 0.108849 0.000270\n0.475832 5.065488 -0.000165\n0.000209 -0.000229 6.450784\nLi V P C O\n4 2 2 2 14\ndirect\n0.100655 0.787130 0.245374 Li\n0.276649 0.269779 0.457959 Li\n0.723367 0.730186 0.957915 Li\n0.899314 0.212799 0.745326 Li\n0.323978 0.799074 0.757693 V\n0.676005 0.200991 0.257553 V\n0.417344 0.730546 0.253092 P\n0.582657 0.269478 0.753027 P\n0.044596 0.679955 0.748461 C\n0.955424 0.320011 0.248424 C\n0.071831 0.929015 0.760293 O\n0.090766 0.401281 0.275295 O\n0.174584 0.516673 0.712643 O\n0.303569 0.789176 0.063841 O\n0.309684 0.844830 0.436792 O\n0.427839 0.137550 0.732087 O\n0.456642 0.428552 0.284867 O\n0.543359 0.571471 0.784888 O\n0.572143 0.862507 0.232063 O\n0.696378 0.210876 0.563720 O\n0.690349 0.155159 0.936672 O\n0.825466 0.483354 0.212573 O\n0.909255 0.598633 0.775258 O\n0.928147 0.070975 0.260206 O\n",
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"formula_full": "Li4 V2 P2 C2 O14",
"formula_reduced": "Li2VPCO7",
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"energy": -183.742367,
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{
"id": "mp-18151",
"created_at": "2022-09-04T14:39:06.023529Z",
"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.526805 0.000000 0.000000\n0.000000 6.526805 0.000000\n0.000000 0.000000 10.346032\nRb Na Co O\n4 8 4 10\ndirect\n0.303598 0.303598 0.000000 Rb\n0.196402 0.803598 0.500000 Rb\n0.803598 0.196402 0.500000 Rb\n0.696402 0.696402 0.000000 Rb\n0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.777465 Na\n0.500000 0.000000 0.250000 Na\n0.500000 0.500000 0.277465 Na\n0.500000 0.500000 0.722535 Na\n0.000000 0.000000 0.222535 Na\n0.000000 0.500000 0.250000 Na\n0.710026 0.710026 0.500000 Co\n0.789974 0.210026 0.000000 Co\n0.210026 0.789974 0.000000 Co\n0.289974 0.289974 0.500000 Co\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.718353 0.281647 0.835729 O\n0.281647 0.718353 0.835729 O\n0.218353 0.218353 0.335729 O\n0.781647 0.781647 0.664271 O\n0.218353 0.218353 0.664271 O\n0.718353 0.281647 0.164271 O\n0.781647 0.781647 0.335729 O\n0.281647 0.718353 0.164271 O\n",
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"elements": [
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],
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"formula_full": "Rb4 Na8 Co4 O10",
"formula_reduced": "Rb2Na4Co2O5",
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{
"id": "mp-972439",
"created_at": "2022-09-04T14:39:06.026053Z",
"structure_string": "Zn6 P4 O16\n1.0\n9.140469 0.000000 0.000000\n0.000000 4.990593 0.000000\n0.000000 4.905765 6.626192\nZn P O\n6 4 16\ndirect\n0.371074 0.304280 0.665811 Zn\n0.871074 0.695720 0.834189 Zn\n0.628926 0.695720 0.334189 Zn\n0.128926 0.304280 0.165811 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.687952 0.184857 0.830829 P\n0.187952 0.815143 0.669171 P\n0.312048 0.815143 0.169171 P\n0.812048 0.184857 0.330829 P\n0.848016 0.138729 0.788566 O\n0.348016 0.861271 0.711434 O\n0.151984 0.861271 0.211434 O\n0.651984 0.138729 0.288566 O\n0.588911 0.304282 0.647342 O\n0.088911 0.695718 0.852658 O\n0.411089 0.695718 0.352658 O\n0.911089 0.304282 0.147342 O\n0.681993 0.456794 0.869910 O\n0.181993 0.543206 0.630090 O\n0.318007 0.543206 0.130090 O\n0.818007 0.456794 0.369910 O\n0.628581 0.846340 0.018970 O\n0.128581 0.153660 0.481030 O\n0.371419 0.153660 0.981030 O\n0.871419 0.846340 0.518970 O\n",
"nsites": 26,
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"elements": [
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"density": 4.242996425531455,
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"volume": 302.26276373061995,
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"formula_full": "Zn6 P4 O16",
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{
"id": "mp-766303",
"created_at": "2022-09-04T14:39:06.027376Z",
"structure_string": "Ba2 Ca7 I18\n1.0\n10.371577 0.000000 0.000000\n-0.958979 11.174171 0.000000\n-5.013840 -1.572907 10.209068\nBa Ca I\n2 7 18\ndirect\n0.692277 0.390098 0.231673 Ba\n0.307723 0.609902 0.768327 Ba\n0.795003 0.818284 0.117376 Ca\n0.000000 0.500000 0.000000 Ca\n0.799492 0.789482 0.611347 Ca\n0.593756 0.113483 0.703201 Ca\n0.406244 0.886517 0.296799 Ca\n0.200508 0.210518 0.388653 Ca\n0.204997 0.181716 0.882624 Ca\n0.878823 0.087159 0.242149 I\n0.863160 0.698460 0.371261 I\n0.940052 0.560676 0.720474 I\n0.917988 0.222428 0.898247 I\n0.708433 0.029326 0.500725 I\n0.475127 0.817927 0.060244 I\n0.488586 0.658972 0.425853 I\n0.662236 0.857308 0.809369 I\n0.314389 0.459408 0.029590 I\n0.685611 0.540592 0.970410 I\n0.337764 0.142692 0.190631 I\n0.511414 0.341028 0.574147 I\n0.524873 0.182073 0.939756 I\n0.291567 0.970674 0.499275 I\n0.082012 0.777572 0.101753 I\n0.059948 0.439324 0.279526 I\n0.136840 0.301540 0.628739 I\n0.121177 0.912841 0.757851 I\n",
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{
"id": "mp-4271",
"created_at": "2022-09-04T14:39:06.033944Z",
"structure_string": "Eu2 Ta2 O8\n1.0\n5.632070 3.581244 0.000000\n-5.632070 3.581244 0.000000\n0.000000 3.292252 3.958528\nEu Ta O\n2 2 8\ndirect\n0.633354 0.366646 0.750000 Eu\n0.366646 0.633354 0.250000 Eu\n0.097456 0.902544 0.750000 Ta\n0.902544 0.097456 0.250000 Ta\n0.796064 0.735594 0.205760 O\n0.264406 0.203936 0.294240 O\n0.203936 0.264406 0.794240 O\n0.735594 0.796064 0.705760 O\n0.359184 0.944395 0.837744 O\n0.055605 0.640816 0.662256 O\n0.640816 0.055605 0.162256 O\n0.944395 0.359184 0.337744 O\n",
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"density": 8.254768392514315,
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"volume": 159.68556986809446,
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"formula_full": "Eu2 Ta2 O8",
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"formula_anonymous": "ABC4",
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{
"id": "mp-1233443",
"created_at": "2022-09-04T14:39:06.034097Z",
"structure_string": "Ba10 Mg1 As6 Cl2 O24\n1.0\n11.008296 0.321424 -0.173603\n-5.228287 9.541956 0.152953\n-0.122527 0.056763 7.794533\nBa Mg As Cl O\n10 1 6 2 24\ndirect\n0.662622 0.308288 0.521032 Ba\n0.331620 0.660332 0.501856 Ba\n0.035910 0.290441 0.243738 Ba\n0.320508 0.653975 0.001516 Ba\n0.761343 0.765202 0.239052 Ba\n0.263278 0.015168 0.236415 Ba\n0.782806 0.011729 0.735595 Ba\n0.991073 0.739516 0.739257 Ba\n0.686827 0.390617 0.005940 Ba\n0.267057 0.275538 0.751853 Ba\n0.575310 0.079427 0.920901 Mg\n0.969146 0.592086 0.250742 As\n0.617205 0.642710 0.732187 As\n0.337173 0.949197 0.752812 As\n0.418649 0.382081 0.258304 As\n0.041729 0.428212 0.736832 As\n0.615158 0.007591 0.250488 As\n0.024096 0.026095 0.995756 Cl\n0.012957 0.018969 0.481954 Cl\n0.691389 0.748206 0.904985 O\n0.326150 0.474222 0.259671 O\n0.381420 0.266967 0.430317 O\n0.442131 0.552530 0.756416 O\n0.121184 0.381310 0.568136 O\n0.687442 0.529180 0.719305 O\n0.720869 0.220324 0.800379 O\n0.148409 0.613673 0.738627 O\n0.592340 0.489026 0.262415 O\n0.715230 0.017831 0.079856 O\n0.117809 0.384218 0.922695 O\n0.873437 0.413023 0.267867 O\n0.465519 0.897277 0.794328 O\n0.908973 0.638610 0.064087 O\n0.928229 0.669196 0.412449 O\n0.427119 0.125645 0.779450 O\n0.378684 0.282338 0.076555 O\n0.708845 0.083301 0.430286 O\n0.139421 0.634337 0.245349 O\n0.227116 0.881569 0.921089 O\n0.491451 0.840425 0.268969 O\n0.260670 0.898063 0.555968 O\n0.651694 0.751071 0.555414 O\n0.536253 0.107985 0.170824 O\n",
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"formula_full": "Ba10 Mg1 As6 Cl2 O24",
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{
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"created_at": "2022-09-04T14:39:06.034902Z",
"structure_string": "Co6 O3 F9\n1.0\n3.239253 -3.398322 0.000000\n3.239253 3.398322 0.000000\n0.000000 0.000000 9.525228\nCo O F\n6 3 9\ndirect\n0.964332 0.964332 0.000000 Co\n0.026963 0.026963 0.331395 Co\n0.026963 0.026963 0.668605 Co\n0.497633 0.497633 0.165212 Co\n0.497633 0.497633 0.834788 Co\n0.485981 0.485981 0.500000 Co\n0.303897 0.303897 0.331312 O\n0.303897 0.303897 0.668688 O\n0.688935 0.688935 0.000000 O\n0.802197 0.189561 0.165995 F\n0.802197 0.189561 0.834005 F\n0.810817 0.201959 0.500000 F\n0.276035 0.276035 0.000000 F\n0.715718 0.715718 0.664431 F\n0.715718 0.715718 0.335569 F\n0.189561 0.802197 0.165995 F\n0.189561 0.802197 0.834005 F\n0.201959 0.810817 0.500000 F\n",
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"formula_full": "Co6 O3 F9",
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{
"id": "mp-729824",
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"structure_string": "Mn6 Mo4 H68 C44 N32 O10\n1.0\n11.785489 6.312209 -5.816275\n-11.785489 6.312209 5.816275\n-0.010224 0.000000 13.669698\nMn Mo H C N O\n6 4 68 44 32 10\ndirect\n0.067201 0.067201 0.250000 Mn\n0.932799 0.932799 0.750000 Mn\n0.304022 0.728770 0.539574 Mn\n0.728770 0.304022 0.960426 Mn\n0.695978 0.271230 0.460426 Mn\n0.271230 0.695978 0.039574 Mn\n0.053130 0.338518 0.826289 Mo\n0.338518 0.053130 0.673711 Mo\n0.946870 0.661482 0.173711 Mo\n0.661482 0.946870 0.326289 Mo\n0.255698 0.320216 0.231578 H\n0.320216 0.255698 0.268422 H\n0.744302 0.679784 0.768422 H\n0.679784 0.744302 0.731578 H\n0.461675 0.649844 0.642118 H\n0.649844 0.461675 0.857882 H\n0.538325 0.350156 0.357882 H\n0.350156 0.538325 0.142118 H\n0.376555 0.588917 0.721986 H\n0.588917 0.376555 0.778014 H\n0.623445 0.411083 0.278014 H\n0.411083 0.623445 0.221986 H\n0.628098 0.545766 0.966729 H\n0.545766 0.628098 0.533271 H\n0.371902 0.454234 0.033271 H\n0.454234 0.371902 0.466729 H\n0.511714 0.492431 0.877278 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H\n0.740733 0.821817 0.028312 H\n0.821817 0.740733 0.471688 H\n0.170177 0.048218 0.064371 H\n0.048218 0.170177 0.435629 H\n0.829823 0.951782 0.935629 H\n0.951782 0.829823 0.564371 H\n0.396530 0.979299 0.222505 H\n0.979299 0.396530 0.277495 H\n0.603470 0.020701 0.777495 H\n0.020701 0.603470 0.722505 H\n0.366369 0.060939 0.260244 H\n0.060939 0.366369 0.239756 H\n0.633631 0.939061 0.739756 H\n0.939061 0.633631 0.760244 H\n0.245196 0.933388 0.200638 H\n0.933388 0.245196 0.299362 H\n0.754804 0.066612 0.799362 H\n0.066612 0.754804 0.700638 H\n0.047677 0.224245 0.992210 C\n0.224245 0.047677 0.507790 C\n0.952323 0.775755 0.007790 C\n0.775755 0.952323 0.492210 C\n0.119882 0.483658 0.688924 C\n0.483658 0.119882 0.811076 C\n0.880118 0.516342 0.311076 C\n0.516342 0.880118 0.188924 C\n0.820718 0.992811 0.293816 C\n0.992811 0.820718 0.206184 C\n0.179282 0.007189 0.706184 C\n0.007189 0.179282 0.793816 C\n0.905116 0.293673 0.689579 C\n0.293673 0.905116 0.810421 C\n0.094884 0.706327 0.310421 C\n0.706327 0.094884 0.189579 C\n0.922546 0.337847 0.864149 C\n0.337847 0.922546 0.635851 C\n0.077454 0.662153 0.135851 C\n0.662153 0.077454 0.364149 C\n0.156870 0.490417 0.906565 C\n0.490417 0.156870 0.593435 C\n0.843130 0.509583 0.093435 C\n0.509583 0.843130 0.406565 C\n0.239141 0.386196 0.851573 C\n0.386196 0.239141 0.648427 C\n0.760859 0.613804 0.148427 C\n0.613804 0.760859 0.351573 C\n0.472599 0.199234 0.088449 C\n0.199234 0.472599 0.411551 C\n0.527401 0.800766 0.911551 C\n0.800766 0.527401 0.588449 C\n0.309637 0.020391 0.008213 C\n0.020391 0.309637 0.491787 C\n0.690363 0.979609 0.991787 C\n0.979609 0.690363 0.508213 C\n0.260356 0.128156 0.056273 C\n0.128156 0.260356 0.443727 C\n0.739644 0.871844 0.943727 C\n0.871844 0.739644 0.556273 C\n0.338086 0.010462 0.200995 C\n0.010462 0.338086 0.299005 C\n0.661914 0.989538 0.799005 C\n0.989538 0.661914 0.700995 C\n0.042605 0.160936 0.079139 N\n0.160936 0.042605 0.420861 N\n0.957395 0.839064 0.920861 N\n0.839064 0.957395 0.579139 N\n0.165782 0.564483 0.618480 N\n0.564483 0.165782 0.881520 N\n0.834218 0.435517 0.381520 N\n0.435517 0.834218 0.118480 N\n0.912416 0.022783 0.283044 N\n0.022783 0.912416 0.216956 N\n0.087584 0.977217 0.716956 N\n0.977217 0.087584 0.783044 N\n0.825211 0.270374 0.613142 N\n0.270374 0.825211 0.886858 N\n0.174789 0.729626 0.386858 N\n0.729626 0.174789 0.113142 N\n0.855425 0.337529 0.891394 N\n0.337529 0.855425 0.608606 N\n0.144575 0.662471 0.108606 N\n0.662471 0.144575 0.391394 N\n0.209384 0.568963 0.951962 N\n0.568963 0.209384 0.548038 N\n0.790616 0.431037 0.048038 N\n0.431037 0.790616 0.451962 N\n0.340883 0.423048 0.864853 N\n0.423048 0.340883 0.635147 N\n0.659117 0.576952 0.135147 N\n0.576952 0.659117 0.364853 N\n0.345650 0.090185 0.088567 N\n0.090185 0.345650 0.411433 N\n0.654350 0.909815 0.911433 N\n0.909815 0.654350 0.588567 N\n0.241032 0.241032 0.250000 O\n0.758968 0.758968 0.750000 O\n0.424741 0.665998 0.675319 O\n0.665998 0.424741 0.824681 O\n0.575259 0.334002 0.324681 O\n0.334002 0.575259 0.175319 O\n0.599187 0.529132 0.893812 O\n0.529132 0.599187 0.606188 O\n0.400813 0.470868 0.106188 O\n0.470868 0.400813 0.393812 O\n",
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"elements": [
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],
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"formula_full": "Mn6 Mo4 H68 C44 N32 O10",
"formula_reduced": "Mn3Mo2H34C22N16O5",
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"updated_at": "2021-11-28T01:34:35.434000Z",
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},
{
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"created_at": "2022-09-04T14:39:06.041287Z",
"structure_string": "Rb1 P1\n1.0\n4.428720 -2.443925 0.000000\n4.428720 2.443925 0.000000\n3.080076 0.000000 4.012413\nRb P\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 P\n",
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{
"id": "mp-554784",
"created_at": "2022-09-04T14:39:06.041628Z",
"structure_string": "V4 Ni2 P4 O20\n1.0\n7.417650 0.000000 0.000000\n0.000000 6.422647 0.000000\n0.000000 0.015710 7.390297\nV Ni P O\n4 2 4 20\ndirect\n0.279290 0.745024 0.834183 V\n0.779290 0.254976 0.665817 V\n0.720710 0.254976 0.165817 V\n0.220710 0.745024 0.334183 V\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.621969 0.749713 0.127739 P\n0.878031 0.749713 0.627739 P\n0.121969 0.250287 0.372261 P\n0.378031 0.250287 0.872261 P\n0.004970 0.778986 0.794578 O\n0.664219 0.227239 0.390488 O\n0.745786 0.938118 0.623990 O\n0.254214 0.061882 0.376010 O\n0.754214 0.938118 0.123990 O\n0.504970 0.221014 0.705422 O\n0.995030 0.221014 0.205422 O\n0.739559 0.554052 0.146252 O\n0.009564 0.254542 0.546448 O\n0.760441 0.554052 0.646252 O\n0.490436 0.254542 0.046448 O\n0.990436 0.745458 0.453552 O\n0.335781 0.772761 0.609512 O\n0.260441 0.445948 0.853748 O\n0.835781 0.227239 0.890488 O\n0.164219 0.772761 0.109512 O\n0.509564 0.745458 0.953552 O\n0.245786 0.061882 0.876010 O\n0.495030 0.778986 0.294578 O\n0.239559 0.445948 0.353748 O\n",
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},
{
"id": "mp-1097440",
"created_at": "2022-09-04T14:39:06.043753Z",
"structure_string": "Ca1 Sc1 Rh2\n1.0\n-4.754107 5.927602 8.382780\n4.754107 -5.927602 8.382780\n4.754107 5.927602 -8.382780\nCa Sc Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.270543 0.270543 Rh\n0.000000 0.729457 0.729457 Rh\n",
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],
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"density": 0.5111101673100065,
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"volume": 944.9221901408724,
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"formula_full": "Ca1 Sc1 Rh2",
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}
]
}