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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11503",
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"results": [
{
"id": "mp-760066",
"created_at": "2022-09-04T14:46:24.906123Z",
"structure_string": "Li16 Ni2 O10 F2\n1.0\n2.415489 -4.751882 0.126240\n7.917536 1.828100 4.795514\n-2.717717 1.271865 5.094956\nLi Ni O F\n16 2 10 2\ndirect\n0.468988 0.057691 0.301084 Li\n0.468992 0.557764 0.800965 Li\n0.231090 0.265947 0.395825 Li\n0.231130 0.765897 0.895934 Li\n0.892793 0.119106 0.531528 Li\n0.892757 0.619131 0.031530 Li\n0.367784 0.146148 0.867818 Li\n0.367752 0.646213 0.367810 Li\n0.675142 0.329336 0.646384 Li\n0.674978 0.829345 0.146340 Li\n0.092750 0.384759 0.958559 Li\n0.092812 0.884650 0.458698 Li\n0.794024 0.233639 0.130322 Li\n0.794189 0.733496 0.630371 Li\n0.522996 0.447983 0.208557 Li\n0.523028 0.947904 0.708486 Li\n0.961740 0.512111 0.461826 Ni\n0.961368 0.012390 0.961943 Ni\n0.584593 0.131855 0.630010 O\n0.584537 0.631949 0.129801 O\n0.106487 0.181832 0.049828 O\n0.106465 0.681845 0.549866 O\n0.773763 0.033588 0.194569 O\n0.773687 0.533525 0.694434 O\n0.204760 0.468232 0.285142 O\n0.204676 0.968216 0.785380 O\n0.885632 0.321437 0.433148 O\n0.885599 0.821548 0.933221 O\n0.437659 0.366433 0.905374 F\n0.437838 0.866026 0.405249 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 2.6895386359774256,
"density_atomic": 0.11394585235188245,
"volume": 263.2829487058059,
"volume_molar": 5.285089922714076,
"formula_full": "Li16 Ni2 O10 F2",
"formula_reduced": "Li8NiO5F",
"formula_anonymous": "ABC5D8",
"energy": -155.77528689000002,
"energy_per_atom": -5.192509563000001,
"energy_above_hull": null,
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"energy_uncorrected": -142.89928689,
"band_gap": 1.1136,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.951000Z",
"spacegroup": 1
},
{
"id": "mp-684817",
"created_at": "2022-09-04T14:46:26.906615Z",
"structure_string": "K2 Li1 Ta6 P3 O24\n1.0\n8.472025 0.000000 0.000000\n-2.070747 8.224211 0.000000\n-2.072423 -2.642514 7.789258\nK Li Ta P O\n2 1 6 3 24\ndirect\n0.703551 0.087107 0.400391 K\n0.296059 0.599335 0.913495 K\n0.566415 0.566368 0.564651 Li\n0.351257 0.160686 0.035686 Ta\n0.037308 0.353913 0.163128 Ta\n0.970430 0.843600 0.651940 Ta\n0.161298 0.036144 0.353380 Ta\n0.654307 0.971878 0.845786 Ta\n0.845094 0.652462 0.971552 Ta\n0.723719 0.499624 0.275097 P\n0.275225 0.723966 0.498978 P\n0.499243 0.275626 0.723623 P\n0.974030 0.500868 0.028994 O\n0.001287 0.847857 0.153658 O\n0.708740 0.581732 0.130983 O\n0.208318 0.314683 0.065446 O\n0.868721 0.418369 0.290628 O\n0.552587 0.356791 0.237860 O\n0.754808 0.635601 0.449343 O\n0.314649 0.066073 0.208358 O\n0.292376 0.870219 0.420264 O\n0.236087 0.551940 0.357944 O\n0.063324 0.204963 0.310695 O\n0.025045 0.970067 0.497114 O\n0.789245 0.929608 0.683949 O\n0.448614 0.752634 0.636555 O\n0.132705 0.710490 0.583633 O\n0.931538 0.688011 0.792613 O\n0.358833 0.236410 0.550702 O\n0.634571 0.450551 0.754254 O\n0.582302 0.131685 0.708106 O\n0.683849 0.789297 0.928868 O\n0.419778 0.293100 0.869552 O\n0.847661 0.153868 0.002222 O\n0.153968 0.000336 0.847693 O\n0.499059 0.027136 0.971858 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"K",
"Li",
"Ta",
"P",
"O"
],
"chemical_system": "K-Li-O-P-Ta",
"density": 5.041480017418095,
"density_atomic": 0.0663322821020369,
"volume": 542.7221687416439,
"volume_molar": 9.078748038151812,
"formula_full": "K2 Li1 Ta6 P3 O24",
"formula_reduced": "K2LiTa6(PO8)3",
"formula_anonymous": "AB2C3D6E24",
"energy": -322.80259542,
"energy_per_atom": -8.966738761666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.31459542,
"band_gap": 3.0471,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.313000Z",
"spacegroup": 1
},
{
"id": "mp-1397660",
"created_at": "2022-09-04T14:46:24.994945Z",
"structure_string": "Zn2 Cr2 Si2 O10\n1.0\n5.363157 0.000000 0.000000\n-0.827075 5.358798 0.000000\n-2.104256 -2.470218 6.285083\nZn Cr Si O\n2 2 2 10\ndirect\n0.292231 0.148343 0.770827 Zn\n0.734537 0.855991 0.277429 Zn\n0.000007 0.495870 0.510369 Cr\n0.007500 0.493683 0.010528 Cr\n0.674285 0.851376 0.767958 Si\n0.330086 0.133711 0.258573 Si\n0.756439 0.717570 0.948034 O\n0.843538 0.802227 0.607630 O\n0.255692 0.264587 0.075353 O\n0.145361 0.182019 0.406988 O\n0.658953 0.228902 0.399909 O\n0.313569 0.809431 0.156255 O\n0.342426 0.768176 0.638121 O\n0.702140 0.177793 0.877474 O\n0.924187 0.568737 0.263075 O\n0.087035 0.420330 0.764347 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si-Zn",
"density": 4.145747454912788,
"density_atomic": 0.08857702059900191,
"volume": 180.63375683444798,
"volume_molar": 6.798761935404111,
"formula_full": "Zn2 Cr2 Si2 O10",
"formula_reduced": "ZnCrSiO5",
"formula_anonymous": "ABCD5",
"energy": -120.14872349,
"energy_per_atom": -7.509295218125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -109.28072349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0003471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.088000Z",
"spacegroup": 1
},
{
"id": "mp-877684",
"created_at": "2022-09-04T14:46:24.999235Z",
"structure_string": "K3 Li3 Sb9 O24\n1.0\n8.803738 0.000000 0.000000\n-3.310790 8.160766 0.000000\n-2.691712 -4.113243 7.497049\nK Li Sb O\n3 3 9 24\ndirect\n0.951250 0.912364 0.929069 K\n0.478306 0.473438 0.016977 K\n0.090946 0.081362 0.038555 K\n0.812341 0.607762 0.542660 Li\n0.427549 0.223100 0.541646 Li\n0.451092 0.970055 0.747226 Li\n0.670649 0.153302 0.166347 Sb\n0.556268 0.673470 0.477775 Sb\n0.128931 0.317002 0.517223 Sb\n0.185988 0.001065 0.491732 Sb\n0.000452 0.508690 0.823798 Sb\n0.681518 0.189929 0.823929 Sb\n0.035106 0.674367 0.317680 Sb\n0.009791 0.491672 0.166488 Sb\n0.792404 0.980284 0.518021 Sb\n0.485168 0.763046 0.346646 O\n0.171747 0.221803 0.635498 O\n0.816128 0.874907 0.657264 O\n0.584676 0.206884 0.290183 O\n0.066326 0.430069 0.721813 O\n0.784074 0.178335 0.688715 O\n0.445701 0.407455 0.364529 O\n0.164488 0.868674 0.639974 O\n0.874004 0.577778 0.639853 O\n0.050634 0.410219 0.067014 O\n0.431954 0.766035 0.024508 O\n0.820579 0.155789 0.025103 O\n0.263597 0.916893 0.953298 O\n0.882874 0.537168 0.953760 O\n0.574693 0.206074 0.960291 O\n0.052933 0.373099 0.411909 O\n0.856799 0.135329 0.347832 O\n0.533208 0.583469 0.635354 O\n0.258618 0.895680 0.309091 O\n0.841922 0.480160 0.306906 O\n0.417416 0.811691 0.688905 O\n0.957752 0.874417 0.276662 O\n0.160767 0.122577 0.364778 O\n0.617555 0.330788 0.570988 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
"K",
"Li",
"Sb",
"O"
],
"chemical_system": "K-Li-O-Sb",
"density": 4.987972668415143,
"density_atomic": 0.07240627794096431,
"volume": 538.6273277546214,
"volume_molar": 8.317152781848678,
"formula_full": "K3 Li3 Sb9 O24",
"formula_reduced": "KLiSb3O8",
"formula_anonymous": "ABC3D8",
"energy": -46.09036335000001,
"energy_per_atom": -1.1818041884615387,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -29.60236335,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.8288808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.347000Z",
"spacegroup": 1
},
{
"id": "mp-1176828",
"created_at": "2022-09-04T14:46:25.034854Z",
"structure_string": "Li2 Mn2 H8 S4 O20\n1.0\n5.638168 0.000000 0.000000\n-2.768955 6.874456 0.000000\n-1.432126 -2.824792 9.943454\nLi Mn H S O\n2 2 8 4 20\ndirect\n0.661934 0.608875 0.034826 Li\n0.845860 0.703082 0.620796 Li\n0.498634 0.021577 0.750023 Mn\n0.508221 0.992330 0.249689 Mn\n0.622092 0.397024 0.802311 H\n0.324817 0.296309 0.713724 H\n0.397651 0.651093 0.616092 H\n0.484920 0.686078 0.774942 H\n0.548360 0.325240 0.223064 H\n0.568770 0.340064 0.381078 H\n0.663440 0.709617 0.291145 H\n0.375688 0.596678 0.188766 H\n0.850487 0.250257 0.078627 S\n0.142761 0.773783 0.431487 S\n0.862533 0.248524 0.572616 S\n0.175583 0.761102 0.923339 S\n0.747489 0.109703 0.941193 O\n0.448170 0.284427 0.788449 O\n0.132219 0.370328 0.104203 O\n0.540806 0.740190 0.697715 O\n0.274482 0.638778 0.437566 O\n0.192685 0.870455 0.316893 O\n0.809641 0.118031 0.177273 O\n0.150312 0.349190 0.604186 O\n0.229169 0.934474 0.562751 O\n0.359098 0.661896 0.912852 O\n0.702080 0.378468 0.102567 O\n0.756327 0.084347 0.445848 O\n0.851236 0.670705 0.407469 O\n0.179127 0.864770 0.808066 O\n0.806003 0.148569 0.687750 O\n0.739833 0.393145 0.571781 O\n0.467956 0.254170 0.289469 O\n0.898622 0.618154 0.900209 O\n0.549132 0.718317 0.210449 O\n0.251301 0.913059 0.053776 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Li-Mn-O-S",
"density": 2.4992839072203807,
"density_atomic": 0.09340903443858545,
"volume": 385.4016928487712,
"volume_molar": 6.447064565215515,
"formula_full": "Li2 Mn2 H8 S4 O20",
"formula_reduced": "LiMnH4(SO5)2",
"formula_anonymous": "ABC2D4E10",
"energy": -227.62477828,
"energy_per_atom": -6.322910507777777,
"energy_above_hull": null,
"is_stable": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.311000Z",
"spacegroup": 1
},
{
"id": "mp-1174956",
"created_at": "2022-09-04T14:46:25.205297Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.762760 0.000000 0.000000\n2.876252 5.170757 0.000000\n1.467425 2.427746 7.208883\nLi Mn Co O\n7 2 3 12\ndirect\n0.665190 0.839619 0.655646 Li\n0.828841 0.169626 0.342574 Li\n0.167698 0.838731 0.656550 Li\n0.326614 0.174994 0.350900 Li\n0.502209 0.493295 0.999715 Li\n0.006034 0.491931 0.996425 Li\n0.165737 0.337048 0.666200 Li\n0.005419 0.991304 0.996007 Mn\n0.501254 0.998203 0.994354 Mn\n0.329848 0.662887 0.345763 Co\n0.667886 0.331657 0.667075 Co\n0.831928 0.659315 0.345797 Co\n0.968951 0.283687 0.500442 O\n0.154133 0.609440 0.162456 O\n0.503764 0.279636 0.503361 O\n0.641903 0.621946 0.168253 O\n0.835660 0.900715 0.853623 O\n0.331996 0.912533 0.852114 O\n0.371283 0.368356 0.836835 O\n0.492499 0.768172 0.492529 O\n0.843212 0.366025 0.837532 O\n0.004439 0.756519 0.484545 O\n0.173078 0.079999 0.141436 O\n0.680424 0.064361 0.149870 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.075844034545598,
"density_atomic": 0.11172711976252755,
"volume": 214.8090817252896,
"volume_molar": 5.390043861150157,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.84238231,
"energy_per_atom": -6.576765929583334,
"energy_above_hull": null,
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"energy_uncorrected": -141.34838231,
"band_gap": 1.114,
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"is_magnetic": true,
"total_magnetization": 7.999898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.848000Z",
"spacegroup": 1
},
{
"id": "mp-1175219",
"created_at": "2022-09-04T14:46:25.244465Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.817191 0.000000 0.000000\n2.891236 5.168837 0.000000\n2.883675 0.406295 7.159149\nLi Mn Co O\n7 4 1 12\ndirect\n0.997680 0.505121 0.007512 Li\n0.996566 0.169790 0.337202 Li\n0.001555 0.827664 0.655731 Li\n0.500432 0.000466 0.999305 Li\n0.502445 0.665764 0.338560 Li\n0.502557 0.331867 0.661964 Li\n0.994436 0.668805 0.336725 Li\n0.001975 0.995678 0.001040 Mn\n0.501426 0.163094 0.336341 Mn\n0.998765 0.339741 0.661827 Mn\n0.491752 0.509147 0.003201 Mn\n0.504950 0.826861 0.663673 Co\n0.247977 0.139600 0.818928 O\n0.260249 0.811327 0.143893 O\n0.261028 0.462059 0.492057 O\n0.722861 0.675480 0.839634 O\n0.719500 0.347727 0.173596 O\n0.725993 0.002372 0.501170 O\n0.742320 0.871753 0.172441 O\n0.743657 0.518465 0.520892 O\n0.746994 0.196488 0.848601 O\n0.275685 0.331139 0.163268 O\n0.282235 0.986441 0.490857 O\n0.276962 0.653151 0.831578 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.005629095950216,
"density_atomic": 0.11149199330688774,
"volume": 215.2620945069903,
"volume_molar": 5.401410972556327,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -166.1036002,
"energy_per_atom": -6.920983341666666,
"energy_above_hull": null,
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"energy_uncorrected": -149.5496002,
"band_gap": 0.6917,
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"updated_at": "2021-11-28T01:37:30.204000Z",
"spacegroup": 1
},
{
"id": "mp-753419",
"created_at": "2022-09-04T14:46:25.325943Z",
"structure_string": "Li3 Mn3 O5 F3\n1.0\n5.818403 0.000000 0.000000\n-2.690956 5.257196 0.000000\n-2.908891 -1.811771 4.910063\nLi Mn O F\n3 3 5 3\ndirect\n0.009327 0.022665 0.995538 Li\n0.241170 0.619657 0.870826 Li\n0.495995 0.230712 0.748053 Li\n0.749923 0.130077 0.381526 Mn\n0.750030 0.613668 0.388110 Mn\n0.249672 0.625413 0.375205 Mn\n0.758086 0.386723 0.596866 O\n0.302303 0.423910 0.164129 O\n0.718996 0.872518 0.577361 O\n0.780447 0.376663 0.177190 O\n0.198092 0.828624 0.584650 O\n0.258446 0.380784 0.640937 F\n0.243934 0.867626 0.105956 F\n0.743577 0.870960 0.143652 F\n",
"nsites": 14,
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"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.5670396068979398,
"density_atomic": 0.09321439902066822,
"volume": 150.1913883164747,
"volume_molar": 6.460526295583072,
"formula_full": "Li3 Mn3 O5 F3",
"formula_reduced": "Li3Mn3O5F3",
"formula_anonymous": "A3B3C3D5",
"energy": -97.19493311,
"energy_per_atom": -6.942495222142857,
"energy_above_hull": null,
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"energy_uncorrected": -87.36993311,
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"updated_at": "2021-11-28T01:37:32.001000Z",
"spacegroup": 1
},
{
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{
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{
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"structure_string": "Na15 Ni6 P6 C6 O42\n1.0\n5.193419 0.000000 0.000000\n-0.216949 8.830580 0.000000\n-0.006494 -0.022272 20.045438\nNa Ni P C O\n15 6 6 6 42\ndirect\n0.224152 0.082329 0.416213 Na\n0.747242 0.264986 0.670922 Na\n0.747491 0.264267 0.829385 Na\n0.747993 0.263941 0.003711 Na\n0.751310 0.258402 0.162328 Na\n0.745911 0.266846 0.336221 Na\n0.743612 0.271560 0.497499 Na\n0.253954 0.734209 0.997362 Na\n0.254236 0.732938 0.663668 Na\n0.252339 0.735317 0.329415 Na\n0.256397 0.728559 0.502354 Na\n0.254278 0.733921 0.836176 Na\n0.248619 0.741352 0.171027 Na\n0.775728 0.917947 0.583452 Na\n0.776135 0.918932 0.916908 Na\n0.219315 0.348230 0.249404 Ni\n0.220863 0.347045 0.916660 Ni\n0.221026 0.346206 0.583675 Ni\n0.780770 0.651762 0.083921 Ni\n0.779086 0.653488 0.416202 Ni\n0.780968 0.652419 0.750055 Ni\n0.282949 0.417216 0.416450 P\n0.280641 0.418493 0.750258 P\n0.280534 0.418988 0.083289 P\n0.717048 0.582601 0.916829 P\n0.717146 0.582696 0.583412 P\n0.719974 0.581366 0.249767 P\n0.286059 0.067827 0.249598 C\n0.286305 0.063684 0.916703 C\n0.287095 0.062423 0.583340 C\n0.713115 0.937480 0.416622 C\n0.713862 0.932077 0.083729 C\n0.714072 0.933457 0.750033 C\n0.683015 0.073043 0.082545 O\n0.681658 0.074337 0.749896 O\n0.684414 0.081995 0.417251 O\n0.060404 0.128702 0.250188 O\n0.059729 0.121197 0.582271 O\n0.059421 0.122560 0.916684 O\n0.477710 0.166509 0.249208 O\n0.485763 0.156011 0.583781 O\n0.484874 0.157323 0.916673 O\n0.208316 0.325074 0.020588 O\n0.208127 0.324977 0.145750 O\n0.208317 0.324443 0.812944 O\n0.210984 0.317772 0.354412 O\n0.209621 0.318053 0.478246 O\n0.207621 0.324336 0.687625 O\n0.857527 0.426711 0.249394 O\n0.858026 0.430964 0.583877 O\n0.856232 0.430324 0.916775 O\n0.579875 0.453708 0.083018 O\n0.580054 0.450473 0.416763 O\n0.578614 0.453854 0.750322 O\n0.420565 0.546353 0.250009 O\n0.419549 0.550088 0.916766 O\n0.420022 0.549295 0.583185 O\n0.142955 0.573471 0.083662 O\n0.141452 0.572370 0.750179 O\n0.142303 0.569059 0.416104 O\n0.792038 0.675241 0.187205 O\n0.792296 0.675157 0.312388 O\n0.789206 0.682514 0.645311 O\n0.789557 0.682062 0.978771 O\n0.790021 0.681834 0.521588 O\n0.790017 0.682204 0.855119 O\n0.522201 0.833494 0.084109 O\n0.514527 0.843858 0.416173 O\n0.522261 0.834716 0.750069 O\n0.939586 0.871310 0.083039 O\n0.940471 0.878836 0.417737 O\n0.939814 0.873614 0.750134 O\n0.315500 0.917937 0.582664 O\n0.316896 0.926890 0.250880 O\n0.315187 0.919333 0.916775 O\n",
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{
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]
}