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{
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{
"id": "mp-760103",
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"structure_string": "Sr15 Pd5 O24\n1.0\n4.898772 4.885758 0.000000\n-4.898772 4.885758 0.000000\n0.000000 0.062782 13.824617\nSr Pd O\n15 5 24\ndirect\n0.249397 0.379732 0.816286 Sr\n0.250441 0.392277 0.320083 Sr\n0.380264 0.249293 0.066856 Sr\n0.380646 0.250686 0.563682 Sr\n0.121881 0.882260 0.744581 Sr\n0.117740 0.878119 0.255419 Sr\n0.750797 0.250532 0.750241 Sr\n0.249346 0.750654 0.000000 Sr\n0.749468 0.249203 0.249759 Sr\n0.890860 0.109140 0.500000 Sr\n0.881682 0.118318 0.000000 Sr\n0.620268 0.750603 0.183714 Sr\n0.607723 0.749559 0.679917 Sr\n0.750707 0.619736 0.933144 Sr\n0.749314 0.619354 0.436318 Sr\n0.000682 0.501094 0.624045 Pd\n0.498906 0.999318 0.375955 Pd\n0.500180 0.999870 0.874518 Pd\n0.251160 0.748840 0.500000 Pd\n0.000130 0.499820 0.125482 Pd\n0.074055 0.441887 0.981803 O\n0.077753 0.451750 0.482712 O\n0.058691 0.216203 0.661070 O\n0.058166 0.213607 0.161936 O\n0.213595 0.058600 0.910913 O\n0.215830 0.048131 0.415136 O\n0.714218 0.427701 0.095604 O\n0.572299 0.285782 0.904396 O\n0.573764 0.284308 0.403901 O\n0.715692 0.426236 0.596099 O\n0.442672 0.075454 0.731978 O\n0.440793 0.070790 0.232745 O\n0.558113 0.925945 0.018197 O\n0.548250 0.922247 0.517288 O\n0.420596 0.716569 0.353766 O\n0.426095 0.712822 0.843843 O\n0.287178 0.573905 0.156157 O\n0.283431 0.579404 0.646234 O\n0.786393 0.941834 0.838064 O\n0.783797 0.941309 0.338930 O\n0.951869 0.784170 0.584864 O\n0.941400 0.786405 0.089087 O\n0.924546 0.557328 0.268022 O\n0.929210 0.559207 0.767255 O\n",
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{
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"structure_string": "U2 Ga8 Ru1\n1.0\n4.301002 0.000000 0.000000\n0.000000 4.301002 0.000000\n0.000000 0.000000 11.021961\nU Ga Ru\n2 8 1\ndirect\n0.000000 0.000000 0.691126 U\n0.000000 0.000000 0.308874 U\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.691019 Ga\n0.500000 0.500000 0.308981 Ga\n0.000000 0.500000 0.876656 Ga\n0.500000 0.000000 0.876656 Ga\n0.000000 0.500000 0.123344 Ga\n0.500000 0.000000 0.123344 Ga\n0.000000 0.000000 0.000000 Ru\n",
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"density": 9.243002226235504,
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"formula_full": "U2 Ga8 Ru1",
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"spacegroup": 123
},
{
"id": "mp-759282",
"created_at": "2022-09-04T14:44:07.547780Z",
"structure_string": "Li12 Fe8 P12 O48\n1.0\n8.752020 0.000000 0.000000\n0.000000 8.762832 0.000000\n0.000000 0.000000 12.162370\nLi Fe P O\n12 8 12 48\ndirect\n0.532636 0.981427 0.819401 Li\n0.532636 0.018573 0.180599 Li\n0.467364 0.518573 0.319401 Li\n0.467364 0.481427 0.680599 Li\n0.196258 0.323493 0.786513 Li\n0.196258 0.676507 0.213487 Li\n0.052278 0.014772 0.315937 Li\n0.052278 0.985228 0.684063 Li\n0.947722 0.485228 0.815937 Li\n0.947722 0.514772 0.184063 Li\n0.803742 0.823493 0.713487 Li\n0.803742 0.176507 0.286513 Li\n0.494438 0.793647 0.611599 Fe\n0.494438 0.206353 0.388401 Fe\n0.505562 0.293647 0.888401 Fe\n0.505562 0.706353 0.111599 Fe\n0.010140 0.795504 0.893450 Fe\n0.010140 0.204496 0.106550 Fe\n0.989860 0.295504 0.606550 Fe\n0.989860 0.704496 0.393450 Fe\n0.701984 0.500000 0.500000 P\n0.644427 0.647809 0.852514 P\n0.644427 0.352191 0.147486 P\n0.355573 0.147809 0.647486 P\n0.355573 0.852191 0.352514 P\n0.298016 0.000000 0.000000 P\n0.202671 0.500000 0.000000 P\n0.144517 0.645567 0.648915 P\n0.144517 0.354433 0.351085 P\n0.855483 0.854433 0.148915 P\n0.855483 0.145567 0.851085 P\n0.797329 0.000000 0.500000 P\n0.701931 0.106336 0.425531 O\n0.701931 0.893664 0.574469 O\n0.679788 0.154308 0.836235 O\n0.679788 0.845692 0.163765 O\n0.598442 0.319500 0.029399 O\n0.598442 0.680500 0.970601 O\n0.597410 0.407152 0.421786 O\n0.597410 0.592848 0.578214 O\n0.586543 0.488352 0.817434 O\n0.586543 0.511648 0.182566 O\n0.582364 0.774646 0.773520 O\n0.582364 0.225354 0.226480 O\n0.417636 0.274646 0.726480 O\n0.417636 0.725354 0.273520 O\n0.413457 0.011648 0.317434 O\n0.413457 0.988352 0.682566 O\n0.402590 0.092848 0.921786 O\n0.402590 0.907152 0.078214 O\n0.401558 0.180500 0.529399 O\n0.401558 0.819500 0.470601 O\n0.320212 0.345692 0.336235 O\n0.320212 0.654308 0.663765 O\n0.298069 0.393664 0.925531 O\n0.298069 0.606336 0.074469 O\n0.199795 0.104551 0.072847 O\n0.199795 0.895449 0.927153 O\n0.179393 0.157295 0.663904 O\n0.179393 0.842705 0.336096 O\n0.097689 0.671829 0.529338 O\n0.097689 0.328171 0.470662 O\n0.095101 0.588989 0.921025 O\n0.095101 0.411011 0.078975 O\n0.093428 0.517468 0.312457 O\n0.093428 0.482532 0.687543 O\n0.062548 0.768878 0.720432 O\n0.062548 0.231122 0.279568 O\n0.937452 0.268878 0.779568 O\n0.937452 0.731122 0.220432 O\n0.906572 0.982532 0.812457 O\n0.906572 0.017468 0.187543 O\n0.904899 0.088989 0.578975 O\n0.904899 0.911011 0.421025 O\n0.902311 0.171829 0.970662 O\n0.902311 0.828171 0.029338 O\n0.820607 0.342705 0.163904 O\n0.820607 0.657295 0.836096 O\n0.800205 0.395449 0.572847 O\n0.800205 0.604551 0.427153 O\n",
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],
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"formula_full": "Li12 Fe8 P12 O48",
"formula_reduced": "Li3Fe2(PO4)3",
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{
"id": "mp-1196110",
"created_at": "2022-09-04T14:44:07.390425Z",
"structure_string": "Sr4 Cu4 Te8 O28\n1.0\n5.517772 0.000000 0.000000\n0.000000 7.235011 0.000000\n0.000000 0.000000 15.489982\nSr Cu Te O\n4 4 8 28\ndirect\n0.750000 0.773765 0.457921 Sr\n0.250000 0.226235 0.542079 Sr\n0.250000 0.773765 0.042079 Sr\n0.750000 0.226235 0.957921 Sr\n0.250000 0.738909 0.613664 Cu\n0.750000 0.261091 0.386336 Cu\n0.750000 0.738909 0.886336 Cu\n0.250000 0.261091 0.113664 Cu\n0.750000 0.991924 0.671281 Te\n0.250000 0.008076 0.328719 Te\n0.250000 0.991924 0.828719 Te\n0.750000 0.008076 0.171281 Te\n0.750000 0.486448 0.674789 Te\n0.250000 0.513552 0.325211 Te\n0.250000 0.486448 0.825211 Te\n0.750000 0.513552 0.174789 Te\n0.750000 0.232547 0.611485 O\n0.250000 0.767453 0.388515 O\n0.250000 0.232547 0.888515 O\n0.750000 0.767453 0.111485 O\n0.009526 0.540290 0.598557 O\n0.509526 0.459710 0.401443 O\n0.990474 0.540290 0.901443 O\n0.490474 0.459710 0.098557 O\n0.990474 0.459710 0.401443 O\n0.490474 0.540290 0.598557 O\n0.009526 0.459710 0.098557 O\n0.509526 0.540290 0.901443 O\n0.750000 0.756995 0.730467 O\n0.250000 0.243005 0.269533 O\n0.250000 0.756995 0.769533 O\n0.750000 0.243005 0.230467 O\n0.999959 0.923597 0.589448 O\n0.499959 0.076403 0.410552 O\n0.000041 0.923597 0.910552 O\n0.500041 0.076403 0.089448 O\n0.000041 0.076403 0.410552 O\n0.500041 0.923597 0.589448 O\n0.999959 0.076403 0.089448 O\n0.499959 0.923597 0.910552 O\n0.500000 0.105183 0.750000 O\n0.000000 0.894817 0.250000 O\n0.500000 0.894817 0.250000 O\n0.000000 0.105183 0.750000 O\n",
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{
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{
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{
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{
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"structure_string": "Li10 V6 P16 O58\n1.0\n9.799098 0.000000 0.000000\n-4.860181 8.517685 0.000000\n-0.017283 -0.077780 14.126492\nLi V P O\n10 6 16 58\ndirect\n0.690000 0.913663 0.937244 Li\n0.665058 0.767752 0.442605 Li\n0.230677 0.902013 0.442710 Li\n0.088851 0.771584 0.937860 Li\n0.230378 0.324399 0.940302 Li\n0.099547 0.333334 0.441243 Li\n0.673424 0.337299 0.392484 Li\n0.672240 0.341196 0.890404 Li\n0.306820 0.081673 0.060200 Li\n0.993678 0.992051 0.509470 Li\n0.000022 0.566417 0.744484 V\n0.002131 0.431563 0.247749 V\n0.568507 0.572853 0.247730 V\n0.437278 0.434809 0.747084 V\n0.571287 0.001032 0.747661 V\n0.429697 0.996285 0.251449 V\n0.681942 0.915524 0.156636 P\n0.687128 0.769987 0.656310 P\n0.226838 0.914915 0.658932 P\n0.334294 0.667421 0.869745 P\n0.331643 0.663860 0.372329 P\n0.084051 0.764021 0.155780 P\n0.912294 0.689476 0.338661 P\n0.232488 0.317855 0.157438 P\n0.773998 0.682537 0.838802 P\n0.083982 0.308320 0.655937 P\n0.912790 0.230139 0.839325 P\n0.668100 0.333745 0.629982 P\n0.662300 0.329929 0.131185 P\n0.777836 0.088876 0.339081 P\n0.312694 0.226062 0.340677 P\n0.321416 0.091308 0.841232 P\n0.787305 0.993258 0.417836 O\n0.660603 0.912344 0.673263 O\n0.767553 0.773543 0.920521 O\n0.660654 0.747368 0.170297 O\n0.521783 0.904064 0.182048 O\n0.480685 0.819710 0.833313 O\n0.381182 0.914860 0.670363 O\n0.245597 0.996938 0.928690 O\n0.247741 0.915059 0.165010 O\n0.485815 0.670426 0.328138 O\n0.529188 0.618828 0.667984 O\n0.323654 0.809623 0.334299 O\n0.321373 0.661456 0.974751 O\n0.343196 0.664101 0.477551 O\n0.181588 0.658932 0.823871 O\n0.382019 0.478824 0.181261 O\n0.344616 0.522729 0.828970 O\n0.085327 0.743900 0.670939 O\n0.979731 0.778439 0.238931 O\n0.006334 0.797263 0.417392 O\n0.011396 0.751018 0.062187 O\n0.099200 0.618155 0.182537 O\n0.188270 0.510597 0.333285 O\n0.921351 0.659696 0.840428 O\n0.080740 0.465776 0.673222 O\n0.250531 0.339306 0.668430 O\n0.800171 0.779947 0.741692 O\n0.769870 0.788697 0.564497 O\n0.208586 0.215746 0.420155 O\n0.739358 0.659765 0.340472 O\n0.901050 0.527067 0.333096 O\n0.086738 0.335780 0.162577 O\n0.815995 0.485423 0.674126 O\n0.892150 0.377153 0.824161 O\n0.013687 0.243959 0.920869 O\n0.011612 0.231643 0.563732 O\n0.982770 0.200295 0.742528 O\n0.919829 0.259807 0.339695 O\n0.655730 0.476167 0.178399 O\n0.629561 0.515791 0.827039 O\n0.809181 0.333431 0.173841 O\n0.660246 0.337657 0.025667 O\n0.671421 0.341993 0.524689 O\n0.672356 0.191255 0.671361 O\n0.474889 0.378026 0.332539 O\n0.521106 0.335824 0.672910 O\n0.745098 0.085614 0.843473 O\n0.799635 0.017841 0.239665 O\n0.742006 0.983967 0.063082 O\n0.627445 0.102834 0.331882 O\n0.510153 0.180915 0.167267 O\n0.486762 0.111329 0.823913 O\n0.337504 0.255226 0.844022 O\n0.251917 0.250909 0.066288 O\n0.219923 0.202566 0.241573 O\n0.343560 0.083971 0.341783 O\n0.204784 0.980881 0.568796 O\n0.210989 0.006025 0.750164 O\n",
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},
{
"id": "mp-1247650",
"created_at": "2022-09-04T14:44:07.404053Z",
"structure_string": "Sr4 Ca28 Mn28 Cr4 O80\n1.0\n11.029509 -0.029262 -0.158701\n-0.036767 15.442119 -0.003709\n-0.155288 0.002020 11.158396\nSr Ca Mn Cr O\n4 28 28 4 80\ndirect\n0.000769 0.111922 0.509895 Sr\n0.512662 0.376680 0.992779 Sr\n0.240916 0.389194 0.262999 Sr\n0.229814 0.121280 0.249279 Sr\n0.996643 0.111879 0.008325 Ca\n0.004958 0.612876 0.507183 Ca\n0.998466 0.612418 0.011302 Ca\n0.542900 0.129239 0.481236 Ca\n0.548450 0.127879 0.983138 Ca\n0.542800 0.629766 0.481767 Ca\n0.543451 0.628654 0.982560 Ca\n0.516261 0.372774 0.491632 Ca\n0.520132 0.872793 0.988011 Ca\n0.519425 0.874727 0.489302 Ca\n0.961742 0.385808 0.005598 Ca\n0.957767 0.387216 0.506298 Ca\n0.957542 0.879925 0.008085 Ca\n0.958938 0.882549 0.503304 Ca\n0.234193 0.396427 0.757214 Ca\n0.231778 0.890776 0.271482 Ca\n0.232595 0.891312 0.769867 Ca\n0.758416 0.381963 0.257167 Ca\n0.756918 0.372571 0.756763 Ca\n0.758495 0.872996 0.258759 Ca\n0.753806 0.873842 0.755388 Ca\n0.224684 0.115075 0.744718 Ca\n0.227383 0.619631 0.243310 Ca\n0.224521 0.621720 0.748337 Ca\n0.775741 0.116532 0.251085 Ca\n0.782232 0.121817 0.754454 Ca\n0.781386 0.624375 0.251882 Ca\n0.781536 0.622354 0.754713 Ca\n0.995106 0.993462 0.758964 Mn\n0.995456 0.498376 0.257169 Mn\n0.994121 0.497152 0.754450 Mn\n0.504551 0.987411 0.231578 Mn\n0.505711 0.989573 0.736848 Mn\n0.507748 0.496957 0.238219 Mn\n0.502553 0.492198 0.733895 Mn\n0.245509 0.996478 0.522296 Mn\n0.240533 0.503768 0.017418 Mn\n0.246063 0.504784 0.521430 Mn\n0.746483 0.000887 0.997477 Mn\n0.743755 0.001828 0.499422 Mn\n0.746972 0.503333 0.997983 Mn\n0.742831 0.503498 0.498940 Mn\n0.270561 0.247354 0.473061 Mn\n0.271922 0.744898 0.959834 Mn\n0.275024 0.742665 0.459209 Mn\n0.759516 0.248390 0.004575 Mn\n0.752167 0.248895 0.504650 Mn\n0.756569 0.746656 0.000791 Mn\n0.756392 0.746554 0.503438 Mn\n0.997804 0.254112 0.764838 Mn\n0.996345 0.752336 0.261963 Mn\n0.994855 0.752740 0.760049 Mn\n0.517660 0.251527 0.252763 Mn\n0.507312 0.248089 0.752404 Mn\n0.512815 0.746754 0.249336 Mn\n0.512068 0.746150 0.749386 Mn\n0.994842 0.996503 0.254630 Cr\n0.238412 0.995987 0.019007 Cr\n0.266709 0.241096 0.946561 Cr\n0.985505 0.253326 0.271796 Cr\n0.594283 0.251424 0.097694 O\n0.582765 0.254376 0.597146 O\n0.587583 0.754406 0.091062 O\n0.585703 0.755224 0.592380 O\n0.401038 0.199584 0.358046 O\n0.394746 0.181999 0.859961 O\n0.399960 0.679157 0.348021 O\n0.399996 0.683718 0.851411 O\n0.905580 0.237596 0.406615 O\n0.910399 0.236793 0.921006 O\n0.905800 0.733841 0.418723 O\n0.907272 0.733647 0.917864 O\n0.146217 0.252937 0.326156 O\n0.175095 0.255544 0.799766 O\n0.164659 0.751870 0.308819 O\n0.162283 0.754088 0.807744 O\n0.660230 0.226069 0.355135 O\n0.658627 0.229657 0.856147 O\n0.659851 0.727206 0.355932 O\n0.659510 0.725330 0.853479 O\n0.865277 0.276523 0.151034 O\n0.864082 0.272437 0.646748 O\n0.856292 0.771001 0.149875 O\n0.856280 0.773370 0.649597 O\n0.356846 0.512127 0.154044 O\n0.346898 0.513627 0.669225 O\n0.350314 0.006093 0.161229 O\n0.346474 0.003571 0.670480 O\n0.851919 0.484942 0.138039 O\n0.845332 0.481150 0.640608 O\n0.849845 0.978860 0.141736 O\n0.856473 0.983043 0.647891 O\n0.148213 0.005542 0.373198 O\n0.148562 0.008793 0.867045 O\n0.157268 0.512756 0.373044 O\n0.153842 0.508879 0.868765 O\n0.622572 0.025902 0.344330 O\n0.632908 0.024716 0.848903 O\n0.634422 0.527735 0.349437 O\n0.626625 0.522162 0.848757 O\n0.879508 0.012115 0.389515 O\n0.886582 0.014751 0.894851 O\n0.885273 0.518559 0.394099 O\n0.886719 0.518101 0.890610 O\n0.098010 0.475495 0.122462 O\n0.096564 0.473525 0.621208 O\n0.102699 0.970130 0.115807 O\n0.098977 0.970136 0.625767 O\n0.602320 0.500207 0.093801 O\n0.588475 0.496828 0.584731 O\n0.595020 0.995688 0.085130 O\n0.592590 0.996828 0.587717 O\n0.987734 0.378635 0.300526 O\n0.995634 0.375558 0.798483 O\n0.994965 0.873178 0.296349 O\n0.991358 0.874650 0.801084 O\n0.481723 0.376945 0.281136 O\n0.463455 0.373756 0.775924 O\n0.475415 0.871960 0.284638 O\n0.481800 0.870866 0.782412 O\n0.994958 0.128021 0.221529 O\n0.003172 0.127592 0.732640 O\n0.000469 0.627566 0.222070 O\n0.999507 0.628021 0.718330 O\n0.216482 0.138887 0.027562 O\n0.233000 0.128962 0.538029 O\n0.215714 0.633722 0.035565 O\n0.220279 0.633847 0.541229 O\n0.757618 0.125156 0.037918 O\n0.753105 0.124806 0.540717 O\n0.753523 0.625529 0.038872 O\n0.749504 0.625687 0.544575 O\n0.299493 0.377489 0.499786 O\n0.280541 0.360461 0.998065 O\n0.299585 0.875529 0.486352 O\n0.299499 0.877229 0.982436 O\n0.738119 0.378386 0.466312 O\n0.745637 0.377569 0.966718 O\n0.740865 0.874196 0.468603 O\n0.741824 0.872493 0.964614 O\n",
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],
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"formula_full": "Sr4 Ca28 Mn28 Cr4 O80",
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{
"id": "mp-754362",
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"structure_string": "Li3 V2 F9\n1.0\n2.648324 5.025364 0.000000\n-2.648324 5.025364 0.000000\n0.000000 0.795074 7.397250\nLi V F\n3 2 9\ndirect\n0.815699 0.464306 0.538264 Li\n0.969216 0.030784 0.000000 Li\n0.535694 0.184301 0.461736 Li\n0.622304 0.664724 0.152295 V\n0.335276 0.377696 0.847705 V\n0.026563 0.455231 0.045666 F\n0.711277 0.361706 0.333213 F\n0.676102 0.834822 0.354629 F\n0.220533 0.863438 0.189492 F\n0.544769 0.973437 0.954334 F\n0.638294 0.288723 0.666787 F\n0.602735 0.397265 0.000000 F\n0.165178 0.323898 0.645371 F\n0.136562 0.779467 0.810508 F\n",
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{
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"structure_string": "Li2 Mn6 O12\n1.0\n2.517915 4.477368 0.000000\n-2.517915 4.477368 0.000000\n0.000000 3.540622 10.167300\nLi Mn O\n2 6 12\ndirect\n0.250420 0.401213 0.243531 Li\n0.401213 0.250420 0.743531 Li\n0.328441 0.178666 0.007279 Mn\n0.178666 0.328441 0.507279 Mn\n0.001116 0.842828 0.997324 Mn\n0.515095 0.669224 0.493118 Mn\n0.842828 0.001116 0.497324 Mn\n0.669224 0.515095 0.993118 Mn\n0.991155 0.478117 0.107480 O\n0.796183 0.292921 0.594957 O\n0.210589 0.053613 0.403559 O\n0.053613 0.210589 0.903559 O\n0.624590 0.147154 0.095452 O\n0.336646 0.540785 0.895379 O\n0.478117 0.991155 0.607480 O\n0.540785 0.336646 0.395379 O\n0.894778 0.697791 0.404157 O\n0.697791 0.894778 0.904157 O\n0.292921 0.796183 0.094957 O\n0.147154 0.624590 0.595452 O\n",
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}
]
}