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{
"id": "mp-1276118",
"created_at": "2022-09-04T14:41:21.343518Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n-1.892655 -1.906581 6.275795\n-0.051761 7.656043 -0.006307\n-7.610029 -3.777308 -0.000972\nSr Y Co O\n4 4 4 16\ndirect\n0.291971 0.412177 0.177078 Sr\n0.296084 0.910759 0.173538 Sr\n0.293045 0.156157 0.675237 Sr\n0.297744 0.667372 0.677032 Sr\n0.726072 0.565553 0.808338 Y\n0.724790 0.113607 0.822675 Y\n0.707867 0.339518 0.323661 Y\n0.716088 0.848815 0.327305 Y\n0.967589 0.997216 0.011550 Co\n0.976839 0.745508 0.501141 Co\n0.004532 0.500095 0.001373 Co\n0.016280 0.252997 0.493548 Co\n0.674766 0.426361 0.066641 O\n0.662643 0.004081 0.155966 O\n0.677192 0.233214 0.594978 O\n0.666049 0.663428 0.512481 O\n0.377461 0.555544 0.907956 O\n0.380286 0.029626 0.890094 O\n0.354174 0.293609 0.414995 O\n0.365026 0.808404 0.420978 O\n0.001121 0.377153 0.751514 O\n0.884235 0.860580 0.778225 O\n0.007947 0.125078 0.257417 O\n0.011256 0.624626 0.236083 O\n0.957482 0.747758 0.005526 O\n0.001146 0.237333 0.995422 O\n0.994693 0.510878 0.505885 O\n0.965623 0.992559 0.513363 O\n",
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"volume": 366.83960649464433,
"volume_molar": 7.889856238049137,
"formula_full": "Sr4 Y4 Co4 O16",
"formula_reduced": "SrYCoO4",
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"energy": -216.35782673,
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"updated_at": "2021-11-28T01:35:26.402000Z",
"spacegroup": 1
},
{
"id": "mp-1276017",
"created_at": "2022-09-04T14:48:31.270684Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n-3.754474 3.761174 0.003377\n-1.879605 1.883055 6.245512\n7.707212 7.714998 0.003233\nSr Y Co O\n4 4 4 16\ndirect\n0.856018 0.291797 0.254897 Sr\n0.360839 0.291372 0.495825 Sr\n0.851746 0.294061 0.750404 Sr\n0.346095 0.294083 0.999217 Sr\n0.657672 0.718618 0.512728 Y\n0.154118 0.717717 0.737151 Y\n0.620256 0.716131 0.011887 Y\n0.124976 0.716593 0.238645 Y\n0.993966 0.000983 0.000917 Co\n0.502625 0.996839 0.251582 Co\n0.006773 0.995526 0.498433 Co\n0.496097 0.004028 0.750492 Co\n0.710672 0.663666 0.212020 O\n0.144381 0.663875 0.536200 O\n0.628247 0.672906 0.720003 O\n0.194203 0.672925 0.030440 O\n0.818236 0.370275 0.483867 O\n0.319060 0.358589 0.765443 O\n0.814759 0.361651 0.983376 O\n0.320594 0.368683 0.266715 O\n0.289816 0.925179 0.376262 O\n0.756787 0.009579 0.624342 O\n0.248654 0.968189 0.876590 O\n0.742759 0.015520 0.121948 O\n0.774742 0.953698 0.373427 O\n0.247849 0.013704 0.623442 O\n0.764735 0.935583 0.873096 O\n0.253320 0.008230 0.130649 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density": 5.496797337206151,
"density_atomic": 0.07737928511722189,
"volume": 361.85395041557695,
"volume_molar": 7.782626514159518,
"formula_full": "Sr4 Y4 Co4 O16",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
"energy": -216.57522153,
"energy_per_atom": -7.734829340357143,
"energy_above_hull": null,
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"energy_uncorrected": -199.03122153,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.47e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:56.423000Z",
"spacegroup": 1
},
{
"id": "mp-1274913",
"created_at": "2022-09-04T14:39:22.771668Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n-3.777275 3.777911 0.000200\n-5.782749 -2.005826 6.036743\n2.026316 5.804319 6.065427\nSr Y Co O\n4 4 4 16\ndirect\n0.355522 0.639178 0.649855 Sr\n0.855330 0.398031 0.891096 Sr\n0.355361 0.139376 0.149651 Sr\n0.855517 0.898130 0.390829 Sr\n0.135113 0.602230 0.123276 Y\n0.639125 0.375364 0.346456 Y\n0.136993 0.102441 0.622835 Y\n0.639777 0.875651 0.846143 Y\n0.495437 0.256272 0.752797 Co\n0.002162 0.998319 0.997193 Co\n0.495349 0.756248 0.252715 Co\n0.002106 0.498500 0.497495 Co\n0.158729 0.870320 0.808934 O\n0.667726 0.551465 0.119704 O\n0.160408 0.370007 0.309555 O\n0.664863 0.051887 0.619185 O\n0.317991 0.447357 0.917282 O\n0.826275 0.158818 0.189170 O\n0.317687 0.947580 0.416768 O\n0.825931 0.658911 0.689276 O\n0.783302 0.851690 0.093106 O\n0.240885 0.624536 0.384259 O\n0.783679 0.351491 0.593114 O\n0.240987 0.124317 0.884231 O\n0.272132 0.850676 0.092468 O\n0.750099 0.624834 0.384790 O\n0.271555 0.351489 0.593257 O\n0.749955 0.124887 0.884563 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Co-O-Sr-Y",
"density": 5.571157935198696,
"density_atomic": 0.0784260710110014,
"volume": 357.0241329069288,
"volume_molar": 7.678748511008832,
"formula_full": "Sr4 Y4 Co4 O16",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
"energy": -216.74073426,
"energy_per_atom": -7.740740509285715,
"energy_above_hull": null,
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"energy_uncorrected": -199.19673426,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.787000Z",
"spacegroup": 8
},
{
"id": "mp-1294077",
"created_at": "2022-09-04T14:42:26.071323Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n-3.808338 3.809791 -0.000085\n-3.809222 -3.810670 0.000103\n-0.000473 -3.810551 12.273138\nSr Y Co O\n4 4 4 16\ndirect\n0.821747 0.178207 0.643890 Sr\n0.322409 0.677604 0.645273 Sr\n0.572450 0.927549 0.145502 Sr\n0.071835 0.428172 0.143950 Sr\n0.930714 0.569327 0.860600 Y\n0.431200 0.068745 0.862170 Y\n0.680787 0.319374 0.360669 Y\n0.181287 0.818692 0.362154 Y\n0.749735 0.750225 0.499489 Co\n0.499778 0.500227 0.999530 Co\n0.251974 0.248080 0.503886 Co\n0.001880 0.998030 0.003848 Co\n0.917116 0.083058 0.833897 O\n0.419591 0.580180 0.839328 O\n0.669748 0.830290 0.339474 O\n0.166676 0.333164 0.333822 O\n0.837838 0.662079 0.676004 O\n0.340719 0.159408 0.681396 O\n0.587893 0.412057 0.176301 O\n0.090613 0.909400 0.181412 O\n0.735494 0.748009 0.987445 O\n0.252077 0.264424 0.987523 O\n0.487308 0.498802 0.489241 O\n0.002040 0.011865 0.489306 O\n0.237571 0.762007 0.989236 O\n0.751810 0.248744 0.989316 O\n0.984767 0.513689 0.487678 O\n0.502944 0.998589 0.487666 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.07860290798661279,
"volume": 356.22091748525133,
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"formula_full": "Sr4 Y4 Co4 O16",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
"energy": -216.00476963,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:44.693000Z",
"spacegroup": 110
},
{
"id": "mp-1274545",
"created_at": "2022-09-04T14:41:05.647544Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n3.816860 -0.001824 -0.000006\n-1.914993 13.070784 6.288513\n-1.907513 -1.866122 6.288327\nSr Y Co O\n4 4 4 16\ndirect\n0.646253 0.411604 0.880731 Sr\n0.648051 0.660367 0.633061 Sr\n0.645057 0.911885 0.379361 Sr\n0.644216 0.161956 0.127858 Sr\n0.354392 0.593684 0.124802 Y\n0.362751 0.842008 0.885972 Y\n0.361972 0.087231 0.627794 Y\n0.356468 0.339079 0.373486 Y\n0.998419 0.749204 0.251216 Co\n0.000165 0.001268 0.997913 Co\n0.996301 0.499065 0.493719 Co\n0.998267 0.249516 0.746007 Co\n0.837424 0.449702 0.220772 O\n0.838595 0.694313 0.977171 O\n0.832360 0.971703 0.697456 O\n0.833620 0.215031 0.452954 O\n0.184219 0.545540 0.824079 O\n0.186876 0.798808 0.576887 O\n0.181998 0.044227 0.316443 O\n0.181093 0.294324 0.066589 O\n0.483154 0.495267 0.470901 O\n0.485972 0.747799 0.226335 O\n0.485864 0.995784 0.975002 O\n0.482575 0.246686 0.717693 O\n0.999025 0.621815 0.376991 O\n0.978523 0.869913 0.088862 O\n0.995378 0.126993 0.863451 O\n0.001016 0.375229 0.626492 O\n",
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"formula_full": "Sr4 Y4 Co4 O16",
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"updated_at": "2021-11-28T01:35:12.066000Z",
"spacegroup": 8
},
{
"id": "mp-1284215",
"created_at": "2022-09-04T14:42:08.575482Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n-3.858153 -3.811032 0.001765\n1.921487 -1.899402 6.141445\n-5.770794 5.694423 6.139443\nSr Y Co O\n4 4 4 16\ndirect\n0.006709 0.469992 0.823207 Sr\n0.002250 0.961589 0.323277 Sr\n0.493465 0.719112 0.571912 Sr\n0.497118 0.218093 0.071200 Sr\n0.524191 0.781263 0.945218 Y\n0.522586 0.278321 0.438897 Y\n0.977367 0.058286 0.663373 Y\n0.977265 0.549347 0.172680 Y\n0.500652 0.252087 0.749438 Co\n0.000773 0.503646 0.499191 Co\n0.495646 0.751555 0.252965 Co\n0.002372 0.998196 0.999165 Co\n0.958617 0.732423 0.946021 O\n0.938651 0.225879 0.435701 O\n0.548836 0.030816 0.640755 O\n0.546829 0.525264 0.151446 O\n0.485611 0.521824 0.843880 O\n0.474281 0.012151 0.338397 O\n0.024497 0.776442 0.593349 O\n0.016880 0.267293 0.085740 O\n0.761410 0.101290 0.869423 O\n0.754611 0.609375 0.374350 O\n0.243673 0.359069 0.613839 O\n0.243524 0.856556 0.116366 O\n0.741949 0.885277 0.132119 O\n0.750342 0.393305 0.631394 O\n0.263761 0.087426 0.859361 O\n0.246132 0.574120 0.357336 O\n",
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"formula_full": "Sr4 Y4 Co4 O16",
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"updated_at": "2021-11-28T01:35:43.508000Z",
"spacegroup": 1
},
{
"id": "mp-1047092",
"created_at": "2022-09-04T14:42:51.333268Z",
"structure_string": "Sr4 Y4 Cr4 O14\n1.0\n-2.811375 2.853682 12.256470\n2.811375 -2.853682 12.256470\n2.811375 2.853682 -12.256470\nSr Y Cr O\n4 4 4 14\ndirect\n0.829927 0.844598 0.963673 Sr\n0.170073 0.133746 0.014670 Sr\n0.619075 0.633746 0.963673 Sr\n0.380925 0.344598 0.014670 Sr\n0.500000 0.478026 0.978026 Y\n0.000000 0.978026 0.978026 Y\n0.200925 0.771865 0.472790 Y\n0.799075 0.271865 0.570940 Y\n0.930928 0.400772 0.473826 Cr\n0.069072 0.542898 0.469844 Cr\n0.573054 0.042898 0.473826 Cr\n0.426946 0.900772 0.469844 Cr\n0.832760 0.663424 0.996184 O\n0.167240 0.163424 0.830664 O\n0.729208 0.700115 0.548523 O\n0.270792 0.819316 0.970907 O\n0.348409 0.319316 0.548523 O\n0.651591 0.200115 0.970907 O\n0.141025 0.111300 0.381148 O\n0.858975 0.240123 0.970274 O\n0.769848 0.740123 0.381148 O\n0.230152 0.611300 0.970274 O\n0.383862 0.769337 0.488343 O\n0.616138 0.104482 0.385476 O\n0.219006 0.604482 0.488343 O\n0.780994 0.269337 0.385476 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 4.804762303437929,
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"volume": 393.3233706983736,
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"formula_full": "Sr4 Y4 Cr4 O14",
"formula_reduced": "Sr2Y2Cr2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -218.15102697000003,
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"updated_at": "2021-11-28T01:35:52.274000Z",
"spacegroup": 46
},
{
"id": "mp-1048239",
"created_at": "2022-09-04T14:40:20.612469Z",
"structure_string": "Sr4 Y4 Cu4 O14\n1.0\n-2.706464 2.719861 12.401771\n2.706464 -2.719861 12.401771\n2.706464 2.719861 -12.401771\nSr Y Cu O\n4 4 4 14\ndirect\n0.847393 0.833578 0.964588 Sr\n0.152607 0.117195 0.986185 Sr\n0.631011 0.617195 0.964588 Sr\n0.368989 0.333578 0.986185 Sr\n0.500000 0.477868 0.977868 Y\n0.000000 0.977868 0.977868 Y\n0.212841 0.756992 0.469833 Y\n0.787159 0.256992 0.544150 Y\n0.932396 0.407350 0.474618 Cu\n0.067604 0.542222 0.474954 Cu\n0.567268 0.042222 0.474618 Cu\n0.432732 0.907350 0.474954 Cu\n0.814930 0.669001 0.983931 O\n0.185070 0.169001 0.854071 O\n0.698044 0.672435 0.485375 O\n0.301956 0.787332 0.974391 O\n0.312940 0.287332 0.485375 O\n0.687060 0.172435 0.974391 O\n0.184513 0.159423 0.466833 O\n0.815487 0.282320 0.974911 O\n0.807409 0.782320 0.466833 O\n0.192591 0.659423 0.974911 O\n0.370719 0.771563 0.473434 O\n0.629281 0.102715 0.400844 O\n0.201871 0.602715 0.473434 O\n0.798129 0.271563 0.400844 O\n",
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"elements": [
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],
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"density": 5.385306951093617,
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"formula_full": "Sr4 Y4 Cu4 O14",
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"updated_at": "2021-11-28T01:34:51.135000Z",
"spacegroup": 46
},
{
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},
{
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"structure_string": "Sr4 Y4 Mn4 O14\n1.0\n-2.891075 2.961452 11.924963\n2.891075 -2.961452 11.924963\n2.891075 2.961452 -11.924963\nSr Y Mn O\n4 4 4 14\ndirect\n0.319636 0.851329 0.459376 Sr\n0.680364 0.139740 0.531692 Sr\n0.108047 0.639740 0.459376 Sr\n0.891953 0.351329 0.531692 Sr\n0.000000 0.474996 0.474996 Y\n0.500000 0.974996 0.474996 Y\n0.691468 0.777365 0.968833 Y\n0.308532 0.277365 0.085898 Y\n0.428103 0.395511 0.978686 Mn\n0.571897 0.550583 0.967408 Mn\n0.083175 0.050583 0.978686 Mn\n0.916825 0.895511 0.967408 Mn\n0.343627 0.655450 0.499077 O\n0.656373 0.155450 0.311823 O\n0.237755 0.702937 0.062911 O\n0.762245 0.825156 0.465182 O\n0.859974 0.325156 0.062911 O\n0.140026 0.202937 0.465182 O\n0.627849 0.099959 0.859998 O\n0.372151 0.232148 0.472110 O\n0.260039 0.732148 0.859998 O\n0.739961 0.599959 0.472110 O\n0.889360 0.769819 0.994369 O\n0.110640 0.105009 0.880460 O\n0.724550 0.605009 0.994369 O\n0.275450 0.269819 0.880460 O\n",
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"chemical_system": "Mn-O-Sr-Y",
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"formula_full": "Sr4 Y4 Mn4 O14",
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{
"id": "mp-1048742",
"created_at": "2022-09-04T14:47:21.031412Z",
"structure_string": "Sr4 Y4 Ni4 O14\n1.0\n-2.754547 2.765756 12.008605\n2.754547 -2.765756 12.008605\n2.754547 2.765756 -12.008605\nSr Y Ni O\n4 4 4 14\ndirect\n0.852279 0.835501 0.965103 Sr\n0.147721 0.112823 0.983222 Sr\n0.629602 0.612823 0.965103 Sr\n0.370398 0.335501 0.983222 Sr\n0.500000 0.471942 0.971942 Y\n0.000000 0.971942 0.971942 Y\n0.204332 0.767645 0.471977 Y\n0.795668 0.267645 0.563313 Y\n0.922883 0.392764 0.469905 Ni\n0.077117 0.547022 0.469881 Ni\n0.577141 0.047022 0.469905 Ni\n0.422859 0.892764 0.469881 Ni\n0.819560 0.668622 0.988182 O\n0.180440 0.168622 0.849062 O\n0.702170 0.671178 0.492400 O\n0.297830 0.790230 0.969008 O\n0.321222 0.290230 0.492400 O\n0.678778 0.171178 0.969008 O\n0.177387 0.146436 0.447672 O\n0.822613 0.270285 0.969049 O\n0.801236 0.770285 0.447672 O\n0.198764 0.646436 0.969049 O\n0.361435 0.789840 0.477150 O\n0.638565 0.115715 0.428405 O\n0.187310 0.615715 0.477150 O\n0.812690 0.289840 0.428405 O\n",
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],
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"formula_full": "Sr4 Y4 Ni4 O14",
"formula_reduced": "Sr2Y2Ni2O7",
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"energy": -196.30270225,
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"updated_at": "2021-11-28T01:38:07.405000Z",
"spacegroup": 46
},
{
"id": "mp-1046778",
"created_at": "2022-09-04T14:43:10.181441Z",
"structure_string": "Sr4 Y4 Sn4 O14\n1.0\n-10.948070 3.452280 3.201501\n10.948070 -3.452280 3.201501\n10.948070 3.452280 -3.201501\nSr Y Sn O\n4 4 4 14\ndirect\n0.047104 0.815116 0.923806 Sr\n0.891311 0.123298 0.076194 Sr\n0.047104 0.623298 0.731988 Sr\n0.891311 0.315116 0.268012 Sr\n0.011224 0.511224 0.500000 Y\n0.011224 0.011224 0.000000 Y\n0.551550 0.702020 0.349530 Y\n0.352490 0.202020 0.650470 Y\n0.489089 0.442767 0.896832 Sn\n0.545934 0.592257 0.103168 Sn\n0.489089 0.092257 0.546323 Sn\n0.545934 0.942767 0.453677 Sn\n0.993181 0.854068 0.639112 O\n0.214956 0.354068 0.360888 O\n0.344529 0.153592 0.055351 O\n0.098241 0.289180 0.944649 O\n0.344529 0.789180 0.690939 O\n0.098241 0.653592 0.309061 O\n0.719771 0.826857 0.731392 O\n0.095466 0.988379 0.268608 O\n0.719771 0.488379 0.392915 O\n0.095466 0.326857 0.607085 O\n0.493174 0.885877 0.257809 O\n0.628069 0.235364 0.742191 O\n0.493174 0.735364 0.107297 O\n0.628069 0.385877 0.892703 O\n",
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"formula_full": "Sr4 Y4 Sn4 O14",
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]
}