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{
"id": "mp-1245089",
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"structure_string": "Co40 O40\n1.0\n10.069570 0.482136 -0.005117\n0.452197 10.002655 -0.225197\n0.015452 -0.219451 10.176912\nCo O\n40 40\ndirect\n0.350776 0.062033 0.030593 Co\n0.017632 0.597474 0.588034 Co\n0.050658 0.138846 0.663223 Co\n0.689186 0.711428 0.058224 Co\n0.144660 0.999139 0.169954 Co\n0.876009 0.554644 0.291428 Co\n0.956000 0.846663 0.825132 Co\n0.660609 0.367148 0.275704 Co\n0.504906 0.523143 0.730533 Co\n0.942532 0.327949 0.471303 Co\n0.326713 0.060334 0.432748 Co\n0.636124 0.156597 0.148603 Co\n0.205488 0.635409 0.254318 Co\n0.823023 0.931950 0.070118 Co\n0.774090 0.660371 0.792659 Co\n0.314425 0.651652 0.528707 Co\n0.443281 0.304540 0.948361 Co\n0.659366 0.566112 0.524543 Co\n0.228636 0.853132 0.680243 Co\n0.894746 0.160421 0.929063 Co\n0.477680 0.566877 0.273721 Co\n0.998343 0.833179 0.407249 Co\n0.448591 0.720565 0.956221 Co\n0.193151 0.852750 0.974186 Co\n0.418185 0.845228 0.225216 Co\n0.714015 0.447268 0.988692 Co\n0.997475 0.663069 0.065307 Co\n0.600215 0.980389 0.899864 Co\n0.990882 0.451159 0.828174 Co\n0.110777 0.321203 0.055554 Co\n0.265880 0.357477 0.652649 Co\n0.677539 0.965066 0.399666 Co\n0.363489 0.074295 0.703567 Co\n0.807765 0.020369 0.626234 Co\n0.782468 0.354000 0.679411 Co\n0.553412 0.219142 0.518080 Co\n0.916846 0.131118 0.258582 Co\n0.356864 0.273741 0.241065 Co\n0.219165 0.566433 0.839878 Co\n0.507910 0.869006 0.574014 Co\n0.848536 0.304219 0.301227 O\n0.615311 0.035662 0.596567 O\n0.213601 0.022528 0.601466 O\n0.214451 0.549244 0.638414 O\n0.292379 0.252302 0.052201 O\n0.323435 0.464128 0.265789 O\n0.290474 0.749925 0.835004 O\n0.001463 0.488940 0.424965 O\n0.000803 0.855607 0.016882 O\n0.674110 0.551896 0.338249 O\n0.477857 0.905241 0.028131 O\n0.240071 0.801805 0.147954 O\n0.095549 0.774232 0.553735 O\n0.522179 0.675922 0.130920 O\n0.614679 0.594922 0.877562 O\n0.500412 0.680354 0.605845 O\n0.748175 0.826436 0.909030 O\n0.029735 0.997794 0.328949 O\n0.296213 0.081945 0.245097 O\n0.545715 0.225609 0.318378 O\n0.604791 0.387621 0.606093 O\n0.080798 0.325332 0.693985 O\n0.107483 0.497244 0.986201 O\n0.489536 0.927887 0.389758 O\n0.827921 0.570691 0.095052 O\n0.819586 0.547468 0.635542 O\n0.942156 0.028977 0.775669 O\n0.007840 0.697515 0.263241 O\n0.590450 0.341098 0.077670 O\n0.840594 0.342406 0.865928 O\n0.350654 0.707864 0.364188 O\n0.873870 0.195844 0.574571 O\n0.729912 0.091504 0.988472 O\n0.372991 0.427695 0.817762 O\n0.014829 0.162754 0.090417 O\n0.761209 0.018158 0.237162 O\n0.980963 0.653521 0.804203 O\n0.453083 0.113914 0.860038 O\n0.830457 0.876049 0.490862 O\n0.364442 0.211713 0.555871 O\n",
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"spacegroup": 1
},
{
"id": "mp-759734",
"created_at": "2022-09-04T14:48:31.315064Z",
"structure_string": "Li12 Bi8 P12 O48\n1.0\n4.056151 8.830064 0.000000\n-4.056151 8.830064 0.000000\n0.000000 8.404859 15.221541\nLi Bi P O\n12 8 12 48\ndirect\n0.503475 0.767923 0.854483 Li\n0.132563 0.225091 0.449142 Li\n0.534597 0.465403 0.750000 Li\n0.774909 0.867437 0.050858 Li\n0.232077 0.496525 0.645517 Li\n0.000000 0.500000 0.000000 Li\n0.767923 0.503475 0.354483 Li\n0.225091 0.132563 0.949142 Li\n0.465403 0.534597 0.250000 Li\n0.867437 0.774909 0.550858 Li\n0.496525 0.232077 0.145517 Li\n0.500000 0.000000 0.500000 Li\n0.201971 0.718832 0.029951 Bi\n0.932585 0.749069 0.335311 Bi\n0.250931 0.067415 0.164689 Bi\n0.281168 0.798029 0.470049 Bi\n0.718832 0.201971 0.529951 Bi\n0.749069 0.932585 0.835311 Bi\n0.067415 0.250931 0.664689 Bi\n0.798029 0.281168 0.970049 Bi\n0.059131 0.936788 0.863100 P\n0.068360 0.507611 0.188835 P\n0.670654 0.613473 0.539014 P\n0.386527 0.329347 0.960986 P\n0.492389 0.931640 0.311165 P\n0.063212 0.940869 0.636900 P\n0.936788 0.059131 0.363100 P\n0.507611 0.068360 0.688835 P\n0.613473 0.670654 0.039014 P\n0.329346 0.386527 0.460986 P\n0.931640 0.492389 0.811165 P\n0.940869 0.063212 0.136900 P\n0.532145 0.969354 0.784677 O\n0.691290 0.955391 0.623038 O\n0.824546 0.035949 0.335168 O\n0.060071 0.047927 0.038095 O\n0.480813 0.749978 0.980937 O\n0.030140 0.857639 0.190174 O\n0.259287 0.837844 0.868589 O\n0.263380 0.468613 0.163847 O\n0.780697 0.706161 0.502132 O\n0.646574 0.923411 0.323079 O\n0.678813 0.508949 0.635580 O\n0.969354 0.532145 0.284677 O\n0.215565 0.531262 0.973448 O\n0.955391 0.691290 0.123038 O\n0.468738 0.784435 0.526552 O\n0.035949 0.824546 0.835168 O\n0.491051 0.321187 0.864420 O\n0.047927 0.060071 0.538095 O\n0.076589 0.353426 0.176921 O\n0.749978 0.480813 0.480937 O\n0.857639 0.030140 0.690174 O\n0.293839 0.219303 0.997868 O\n0.162156 0.740713 0.631411 O\n0.531387 0.736620 0.336153 O\n0.468613 0.263380 0.663847 O\n0.837844 0.259287 0.368589 O\n0.706161 0.780697 0.002132 O\n0.142361 0.969860 0.309826 O\n0.250022 0.519187 0.519063 O\n0.923411 0.646574 0.823079 O\n0.952073 0.939929 0.461905 O\n0.508949 0.678813 0.135580 O\n0.964051 0.175454 0.164832 O\n0.531262 0.215565 0.473448 O\n0.044609 0.308710 0.876962 O\n0.784435 0.468738 0.026552 O\n0.030646 0.467855 0.715323 O\n0.321187 0.491051 0.364420 O\n0.353426 0.076589 0.676921 O\n0.219303 0.293839 0.497868 O\n0.736620 0.531387 0.836153 O\n0.740713 0.162156 0.131411 O\n0.969860 0.142361 0.809826 O\n0.519187 0.250022 0.019063 O\n0.939929 0.952073 0.961905 O\n0.175454 0.964051 0.664832 O\n0.308710 0.044609 0.376962 O\n0.467855 0.030646 0.215323 O\n",
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],
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"formula_full": "Li12 Bi8 P12 O48",
"formula_reduced": "Li3Bi2(PO4)3",
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{
"id": "mp-1249333",
"created_at": "2022-09-04T14:48:29.001562Z",
"structure_string": "Mg10 Al8 Fe2 Si12 O48\n1.0\n7.080521 0.645228 -2.870675\n-0.242375 14.032935 -5.580031\n0.034628 0.150583 9.129192\nMg Al Fe Si O\n10 8 2 12 48\ndirect\n0.008811 0.981372 0.955824 Mg\n0.996854 0.292662 0.124459 Mg\n0.007592 0.795496 0.101169 Mg\n0.343054 0.145298 0.595808 Mg\n0.342055 0.620986 0.611832 Mg\n0.606741 0.515281 0.057966 Mg\n0.729865 0.428120 0.514185 Mg\n0.775364 0.925027 0.529205 Mg\n0.719868 0.123005 0.466696 Mg\n0.690062 0.620153 0.456597 Mg\n0.111087 0.070124 0.709922 Al\n0.094684 0.567802 0.726055 Al\n0.425343 0.420328 0.216400 Al\n0.452780 0.927483 0.207892 Al\n0.604711 0.347577 0.730586 Al\n0.603606 0.841762 0.699501 Al\n0.772467 0.174803 0.216916 Al\n0.894106 0.673493 0.222982 Al\n0.985342 0.463076 0.958849 Fe\n0.615823 0.988286 0.994943 Fe\n0.957940 0.276631 0.640085 Si\n0.972224 0.768385 0.624346 Si\n0.294469 0.397637 0.491610 Si\n0.313943 0.912506 0.474490 Si\n0.328365 0.114329 0.109826 Si\n0.282215 0.605360 0.128192 Si\n0.700685 0.082442 0.788178 Si\n0.703835 0.578630 0.800598 Si\n0.553890 0.283776 0.981117 Si\n0.564717 0.772100 0.979012 Si\n0.903922 0.472475 0.315923 Si\n0.915671 0.977092 0.290344 Si\n0.110016 0.184530 0.666679 O\n0.115491 0.678402 0.674667 O\n0.037406 0.379050 0.749818 O\n0.021630 0.874259 0.744986 O\n0.082239 0.382324 0.357465 O\n0.109460 0.894243 0.324401 O\n0.286484 0.019271 0.597771 O\n0.279784 0.502643 0.626378 O\n0.175531 0.193962 0.163202 O\n0.115332 0.682535 0.184645 O\n0.311672 0.072729 0.911523 O\n0.277655 0.575346 0.935223 O\n0.376613 0.827861 0.558003 O\n0.386401 0.311959 0.575128 O\n0.559585 0.372208 0.916633 O\n0.576847 0.843944 0.883197 O\n0.439962 0.400566 0.397844 O\n0.476627 0.907583 0.391945 O\n0.600029 0.080715 0.583152 O\n0.590663 0.574653 0.589224 O\n0.287334 0.016513 0.140860 O\n0.247851 0.506210 0.154641 O\n0.383499 0.312432 0.056839 O\n0.396845 0.816662 0.057158 O\n0.538331 0.186883 0.822262 O\n0.526712 0.667501 0.839545 O\n0.681010 0.455393 0.740951 O\n0.670968 0.957723 0.735276 O\n0.551893 0.142121 0.224266 O\n0.498751 0.628612 0.237979 O\n0.660121 0.455679 0.267290 O\n0.678678 0.959178 0.237097 O\n0.780496 0.256546 0.687878 O\n0.762625 0.750297 0.627301 O\n0.926932 0.008396 0.504979 O\n0.914047 0.510474 0.523685 O\n0.900977 0.422648 0.112479 O\n0.910034 0.926276 0.080706 O\n0.932045 0.079174 0.811814 O\n0.914971 0.602234 0.824484 O\n0.752982 0.266218 0.124709 O\n0.772341 0.762967 0.115101 O\n0.753758 0.087687 0.996229 O\n0.775654 0.579285 0.012193 O\n0.923353 0.090727 0.314485 O\n0.896525 0.586281 0.322058 O\n0.842738 0.273854 0.442852 O\n0.917009 0.769753 0.431488 O\n",
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{
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"structure_string": "Zn4 H32 C12 N8 O24\n1.0\n0.000000 -7.829853 0.000000\n-8.788186 0.000000 0.000000\n0.000000 0.000000 -11.675175\nZn H C N O\n4 32 12 8 24\ndirect\n0.999526 0.971136 0.888530 Zn\n0.000474 0.028864 0.388530 Zn\n0.499526 0.528864 0.388530 Zn\n0.500474 0.471136 0.888530 Zn\n0.684387 0.168402 0.895302 H\n0.315613 0.831598 0.395302 H\n0.184387 0.331598 0.395302 H\n0.815613 0.668402 0.895302 H\n0.232605 0.236553 0.839335 H\n0.767395 0.763447 0.339335 H\n0.732605 0.263447 0.339335 H\n0.267395 0.736553 0.839335 H\n0.923115 0.971900 0.641245 H\n0.076885 0.028100 0.141245 H\n0.423115 0.528100 0.141245 H\n0.576885 0.471900 0.641245 H\n0.128924 0.425645 0.689973 H\n0.871076 0.574355 0.189973 H\n0.628924 0.074355 0.189973 H\n0.371076 0.925645 0.689973 H\n0.915240 0.422313 0.721560 H\n0.084760 0.577687 0.221560 H\n0.415240 0.077687 0.221560 H\n0.584760 0.922313 0.721560 H\n0.982898 0.356423 0.592192 H\n0.017102 0.643577 0.092192 H\n0.482898 0.143577 0.092192 H\n0.517102 0.856423 0.592192 H\n0.102282 0.603825 0.563242 H\n0.897718 0.396175 0.063242 H\n0.602282 0.896175 0.063242 H\n0.397718 0.103825 0.563242 H\n0.892201 0.588268 0.555544 H\n0.107799 0.411732 0.055544 H\n0.392201 0.911732 0.055544 H\n0.607799 0.088268 0.555544 H\n0.776645 0.240220 0.848500 C\n0.223355 0.759780 0.348500 C\n0.276645 0.259780 0.348500 C\n0.723355 0.740220 0.848500 C\n0.289750 0.187970 0.917652 C\n0.710250 0.812030 0.417652 C\n0.789750 0.312030 0.417652 C\n0.210250 0.687970 0.917652 C\n0.063971 0.970382 0.638479 C\n0.936029 0.029618 0.138479 C\n0.563971 0.529618 0.138479 C\n0.436029 0.470382 0.638479 C\n0.005269 0.437818 0.656296 N\n0.994731 0.562182 0.156296 N\n0.505269 0.062182 0.156296 N\n0.494731 0.937818 0.656296 N\n0.993405 0.591451 0.611565 N\n0.006595 0.408549 0.111565 N\n0.493405 0.908549 0.111565 N\n0.506595 0.091451 0.611565 N\n0.921978 0.185328 0.824300 O\n0.078022 0.814672 0.324300 O\n0.421978 0.314672 0.324300 O\n0.578022 0.685328 0.824300 O\n0.732387 0.375350 0.821437 O\n0.267613 0.624650 0.321437 O\n0.232387 0.124650 0.321437 O\n0.767613 0.875350 0.821437 O\n0.225938 0.067556 0.959657 O\n0.774062 0.932444 0.459657 O\n0.725938 0.432444 0.459657 O\n0.274062 0.567556 0.959657 O\n0.417635 0.256888 0.961352 O\n0.582365 0.743112 0.461352 O\n0.917635 0.243112 0.461352 O\n0.082365 0.756888 0.961352 O\n0.144715 0.948916 0.731983 O\n0.855285 0.051084 0.231983 O\n0.644715 0.551084 0.231983 O\n0.355285 0.448916 0.731983 O\n0.137889 0.989727 0.542766 O\n0.862111 0.010273 0.042766 O\n0.637889 0.510273 0.042766 O\n0.362111 0.489727 0.542766 O\n",
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{
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{
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{
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"structure_string": "Al20 Bi12 S48\n1.0\n7.264644 -0.024948 0.000022\n-0.025010 7.264725 -0.000131\n0.000100 -0.000595 36.071801\nAl Bi S\n20 12 48\ndirect\n0.249985 0.749998 0.001225 Al\n0.249953 0.750029 0.331785 Al\n0.249918 0.749988 0.091329 Al\n0.250000 0.749984 0.416034 Al\n0.250014 0.749995 0.743582 Al\n0.250002 0.750001 0.501271 Al\n0.250000 0.749995 0.831797 Al\n0.749929 0.249949 0.253092 Al\n0.749986 0.250004 0.582019 Al\n0.749929 0.250017 0.168896 Al\n0.750007 0.249995 0.494981 Al\n0.750009 0.249999 0.843686 Al\n0.749997 0.249993 0.994869 Al\n0.750016 0.250001 0.343637 Al\n0.749999 0.249993 0.668922 Al\n0.250053 0.750015 0.243654 Al\n0.250020 0.750000 0.591385 Al\n0.250003 0.749999 0.916041 Al\n0.749974 0.249933 0.081946 Al\n0.750007 0.250008 0.753156 Al\n0.749777 0.750032 0.268469 Bi\n0.750014 0.749979 0.664450 Bi\n0.749990 0.750015 0.941362 Bi\n0.250009 0.250014 0.065527 Bi\n0.249974 0.249989 0.340714 Bi\n0.249981 0.249988 0.663940 Bi\n0.750561 0.750263 0.164090 Bi\n0.750015 0.750003 0.565713 Bi\n0.750007 0.749981 0.840557 Bi\n0.249932 0.250491 0.164027 Bi\n0.250019 0.249993 0.441399 Bi\n0.250015 0.249983 0.768372 Bi\n0.089026 0.587699 0.047763 S\n0.084562 0.580906 0.372308 S\n0.101943 0.520856 0.711708 S\n0.925249 0.092534 0.209314 S\n0.903135 0.073920 0.541029 S\n0.897042 0.034210 0.875370 S\n0.584440 0.081586 0.127281 S\n0.538286 0.077385 0.468479 S\n0.575118 0.104655 0.796293 S\n0.095273 0.919564 0.287296 S\n0.049893 0.916292 0.627341 S\n0.092464 0.921909 0.958675 S\n0.574658 0.407401 0.209331 S\n0.596881 0.426087 0.541029 S\n0.602966 0.465792 0.875368 S\n0.410928 0.912259 0.047771 S\n0.415415 0.919069 0.372311 S\n0.398047 0.979152 0.711708 S\n0.020485 0.602150 0.211767 S\n0.087776 0.589069 0.547849 S\n0.080822 0.584638 0.872309 S\n0.915511 0.418406 0.127283 S\n0.961728 0.422611 0.468480 S\n0.924907 0.395339 0.796296 S\n0.895526 0.424606 0.296259 S\n0.918471 0.415431 0.627331 S\n0.922649 0.461512 0.968409 S\n0.404712 0.580392 0.287305 S\n0.450109 0.583713 0.627342 S\n0.407533 0.578084 0.958671 S\n0.926010 0.096898 0.040926 S\n0.965670 0.102894 0.375394 S\n0.907577 0.074918 0.709372 S\n0.573993 0.403087 0.040936 S\n0.534325 0.397066 0.375392 S\n0.592430 0.425091 0.709377 S\n0.479753 0.897626 0.211795 S\n0.412255 0.910929 0.547850 S\n0.419183 0.915353 0.872309 S\n0.416418 0.550006 0.127218 S\n0.421867 0.592463 0.458691 S\n0.419429 0.595100 0.787260 S\n0.083445 0.949893 0.127239 S\n0.078150 0.907528 0.458696 S\n0.080581 0.904899 0.787263 S\n0.604427 0.075318 0.296272 S\n0.581526 0.084570 0.627330 S\n0.577311 0.038506 0.968412 S\n",
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{
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"structure_string": "Be12 Si12 Sn8 O48\n1.0\n8.091554 0.000000 0.000000\n0.000000 8.295279 0.000000\n0.000000 8.069347 14.166554\nBe Si Sn O\n12 12 8 48\ndirect\n0.849800 0.813619 0.759702 Be\n0.659840 0.163895 0.406604 Be\n0.159840 0.836105 0.093396 Be\n0.340160 0.836105 0.593396 Be\n0.840160 0.163895 0.906604 Be\n0.154505 0.471692 0.409807 Be\n0.654505 0.528308 0.090193 Be\n0.845495 0.528308 0.590193 Be\n0.345495 0.471692 0.909807 Be\n0.650200 0.813619 0.259702 Be\n0.150200 0.186381 0.240298 Be\n0.349800 0.186381 0.740298 Be\n0.227998 0.810672 0.759257 Si\n0.727998 0.189328 0.740743 Si\n0.772002 0.189328 0.240743 Si\n0.272002 0.810672 0.259257 Si\n0.737585 0.476825 0.919949 Si\n0.237585 0.523175 0.580051 Si\n0.262415 0.523175 0.080051 Si\n0.762415 0.476825 0.419949 Si\n0.206398 0.170954 0.897309 Si\n0.706398 0.829046 0.602691 Si\n0.793602 0.829046 0.102691 Si\n0.293602 0.170954 0.397309 Si\n0.492266 0.162136 0.094171 Sn\n0.007734 0.162136 0.594171 Sn\n0.507734 0.837864 0.905829 Sn\n0.992266 0.837864 0.405829 Sn\n0.553697 0.826337 0.421530 Sn\n0.053697 0.173663 0.078470 Sn\n0.446303 0.173663 0.578470 Sn\n0.946303 0.826337 0.921530 Sn\n0.138292 0.717526 0.032787 O\n0.043158 0.796240 0.809529 O\n0.543158 0.203760 0.690471 O\n0.956842 0.203760 0.190471 O\n0.456842 0.796240 0.309529 O\n0.544456 0.400724 0.947904 O\n0.044456 0.599276 0.552096 O\n0.455544 0.599276 0.052096 O\n0.955544 0.400724 0.447904 O\n0.022197 0.105666 0.877543 O\n0.522197 0.894334 0.622457 O\n0.977803 0.894334 0.122457 O\n0.161577 0.083054 0.354080 O\n0.661577 0.916946 0.145920 O\n0.838423 0.916946 0.645920 O\n0.338423 0.083054 0.854080 O\n0.638292 0.282474 0.467213 O\n0.477803 0.105666 0.377543 O\n0.361708 0.717526 0.532787 O\n0.861708 0.282474 0.967213 O\n0.713110 0.942111 0.483429 O\n0.652296 0.306003 0.147896 O\n0.847704 0.306003 0.647896 O\n0.347704 0.693997 0.852104 O\n0.720561 0.246029 0.820965 O\n0.220561 0.753971 0.679035 O\n0.279439 0.753971 0.179035 O\n0.779439 0.246029 0.320965 O\n0.760645 0.624828 0.811832 O\n0.260645 0.375172 0.688168 O\n0.239355 0.375172 0.188168 O\n0.739355 0.624828 0.311832 O\n0.234142 0.381455 0.867563 O\n0.734142 0.618545 0.632437 O\n0.765858 0.618545 0.132437 O\n0.265858 0.381455 0.367563 O\n0.790347 0.966082 0.794126 O\n0.290347 0.033918 0.705874 O\n0.209653 0.033918 0.205874 O\n0.709653 0.966082 0.294126 O\n0.788207 0.588561 0.980530 O\n0.288207 0.411439 0.519470 O\n0.211793 0.411439 0.019470 O\n0.711793 0.588561 0.480530 O\n0.786890 0.942111 0.983429 O\n0.286890 0.057889 0.516571 O\n0.213110 0.057889 0.016571 O\n0.152296 0.693997 0.352104 O\n",
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{
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