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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11570",
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"results": [
{
"id": "mp-1233365",
"created_at": "2022-09-04T14:45:36.856462Z",
"structure_string": "Ca1 Mn6 O4 F8\n1.0\n-5.520004 -0.346055 -0.050720\n0.249675 5.074220 -6.136157\n-0.369507 -5.261585 -3.204864\nCa Mn O F\n1 6 4 8\ndirect\n0.985739 0.504048 0.010504 Ca\n0.509869 0.005020 0.511104 Mn\n0.526152 0.688903 0.153486 Mn\n0.505088 0.326348 0.837265 Mn\n0.899657 0.720636 0.614831 Mn\n0.118755 0.303697 0.414787 Mn\n0.016331 0.980219 0.029459 Mn\n0.845887 0.752922 0.952779 O\n0.646134 0.792192 0.447440 O\n0.598313 0.433465 0.103455 O\n0.374171 0.225021 0.571279 O\n0.859360 0.423962 0.664751 F\n0.836844 0.105164 0.343053 F\n0.666799 0.106998 0.818715 F\n0.352348 0.544730 0.821706 F\n0.317187 0.919618 0.205959 F\n0.121594 0.567796 0.347344 F\n0.150715 0.243502 0.050541 F\n0.196830 0.914088 0.684875 F\n",
"nsites": 19,
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"elements": [
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"Mn",
"O",
"F"
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"chemical_system": "Ca-F-Mn-O",
"density": 3.6439815025640225,
"density_atomic": 0.0711888612353266,
"volume": 266.895686632665,
"volume_molar": 8.45938627967768,
"formula_full": "Ca1 Mn6 O4 F8",
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"formula_anonymous": "AB4C6D8",
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"updated_at": "2021-11-28T01:37:10.060000Z",
"spacegroup": 1
},
{
"id": "mp-1076759",
"created_at": "2022-09-04T14:45:36.947014Z",
"structure_string": "La16 Sm16 Co32 O80\n1.0\n-0.002196 -0.000614 10.838647\n11.550995 -0.004700 -0.002433\n-5.780748 15.513634 -5.418796\nLa Sm Co O\n16 16 32 80\ndirect\n0.306999 0.065195 0.609385 La\n0.308786 0.568169 0.612200 La\n0.805643 0.065877 0.610129 La\n0.806109 0.567766 0.612589 La\n0.195355 0.433288 0.387373 La\n0.193986 0.437015 0.891062 La\n0.694218 0.433205 0.387584 La\n0.690949 0.931465 0.386194 La\n0.056826 0.293802 0.610424 La\n0.054922 0.795584 0.611709 La\n0.557834 0.295557 0.612339 La\n0.443547 0.203762 0.386628 La\n0.447013 0.205936 0.890099 La\n0.945059 0.204135 0.386379 La\n0.944035 0.205210 0.890116 La\n0.945106 0.706038 0.387381 La\n0.301033 0.068093 0.107956 Sm\n0.302375 0.568745 0.111774 Sm\n0.800362 0.065855 0.106833 Sm\n0.801469 0.568341 0.108587 Sm\n0.195356 0.929941 0.388525 Sm\n0.193576 0.931964 0.892896 Sm\n0.695181 0.435487 0.892227 Sm\n0.692550 0.930249 0.890594 Sm\n0.051615 0.291010 0.109181 Sm\n0.049553 0.792011 0.109695 Sm\n0.551521 0.291447 0.108807 Sm\n0.551344 0.790477 0.107904 Sm\n0.554019 0.791173 0.608955 Sm\n0.443679 0.709330 0.390779 Sm\n0.445775 0.710290 0.893285 Sm\n0.941554 0.711162 0.894051 Sm\n0.004834 0.999543 0.001473 Co\n0.004481 0.999329 0.497955 Co\n0.005737 0.501679 0.002222 Co\n0.004986 0.499746 0.499616 Co\n0.506062 0.999620 0.001315 Co\n0.504621 0.999133 0.499476 Co\n0.506421 0.501308 0.001844 Co\n0.504427 0.500004 0.498726 Co\n0.256307 0.251854 0.002161 Co\n0.254898 0.248422 0.498394 Co\n0.255632 0.751608 0.002196 Co\n0.255104 0.749439 0.499344 Co\n0.756127 0.250999 0.001687 Co\n0.754379 0.250023 0.499284 Co\n0.754184 0.749487 0.000706 Co\n0.753832 0.749418 0.499077 Co\n0.105022 0.089662 0.246687 Co\n0.109661 0.092585 0.752589 Co\n0.106872 0.593534 0.246678 Co\n0.108651 0.597920 0.753366 Co\n0.604432 0.090662 0.245517 Co\n0.608750 0.091629 0.751668 Co\n0.602643 0.592264 0.246461 Co\n0.608898 0.597755 0.753379 Co\n0.355230 0.407095 0.246941 Co\n0.361093 0.409738 0.752603 Co\n0.353214 0.903436 0.247141 Co\n0.360262 0.904933 0.752703 Co\n0.854914 0.404818 0.245516 Co\n0.857144 0.410509 0.753484 Co\n0.856685 0.904433 0.246074 Co\n0.855557 0.904650 0.752572 Co\n0.118961 0.114640 0.478693 O\n0.119496 0.118040 0.983450 O\n0.119016 0.618829 0.482138 O\n0.114579 0.622824 0.982048 O\n0.617907 0.118237 0.481862 O\n0.619455 0.117112 0.982475 O\n0.614744 0.621317 0.480794 O\n0.618738 0.620498 0.979378 O\n0.138665 0.384026 0.025495 O\n0.136679 0.380785 0.517307 O\n0.135916 0.881932 0.021367 O\n0.136564 0.880854 0.515199 O\n0.638309 0.383425 0.022810 O\n0.636811 0.382684 0.518077 O\n0.637573 0.876982 0.019716 O\n0.633615 0.878284 0.519036 O\n0.364060 0.107457 0.477787 O\n0.365357 0.109345 0.981677 O\n0.370794 0.616291 0.480828 O\n0.371014 0.615938 0.982940 O\n0.868173 0.113090 0.481366 O\n0.864399 0.107800 0.980694 O\n0.868202 0.613411 0.481982 O\n0.864122 0.613175 0.980542 O\n0.388799 0.392418 0.025134 O\n0.386510 0.386687 0.517796 O\n0.386933 0.889605 0.020894 O\n0.387767 0.882859 0.516201 O\n0.886275 0.391550 0.022239 O\n0.886489 0.386459 0.517746 O\n0.884083 0.886074 0.020176 O\n0.885807 0.885684 0.516343 O\n0.102172 0.115870 0.141706 O\n0.091527 0.110393 0.642292 O\n0.101836 0.617854 0.140890 O\n0.090798 0.614017 0.642505 O\n0.601708 0.115822 0.140478 O\n0.590313 0.112239 0.642145 O\n0.601146 0.617109 0.141126 O\n0.589473 0.614609 0.642069 O\n0.446888 0.387402 0.356945 O\n0.459446 0.388207 0.860270 O\n0.448080 0.886076 0.357842 O\n0.462128 0.884885 0.860211 O\n0.947045 0.388539 0.356639 O\n0.951416 0.387535 0.861163 O\n0.956290 0.887969 0.356005 O\n0.960195 0.885605 0.859987 O\n0.352999 0.275521 0.142140 O\n0.341483 0.280645 0.641856 O\n0.351464 0.774782 0.141550 O\n0.348801 0.781260 0.641842 O\n0.852012 0.273764 0.140414 O\n0.839304 0.282003 0.643150 O\n0.853658 0.774237 0.142126 O\n0.839513 0.779870 0.641505 O\n0.196939 0.220238 0.356595 O\n0.201601 0.224864 0.860312 O\n0.205116 0.720378 0.356764 O\n0.212160 0.725077 0.860346 O\n0.696283 0.218641 0.356747 O\n0.700456 0.225274 0.859616 O\n0.697591 0.719222 0.356988 O\n0.711628 0.725830 0.858127 O\n0.414530 0.066186 0.243715 O\n0.420115 0.068059 0.750737 O\n0.414735 0.574389 0.249771 O\n0.421974 0.576243 0.756368 O\n0.914473 0.067933 0.242937 O\n0.920005 0.066899 0.750508 O\n0.916691 0.568361 0.244206 O\n0.922300 0.575829 0.757285 O\n0.164749 0.426688 0.243738 O\n0.171733 0.433095 0.750990 O\n0.164865 0.925098 0.249038 O\n0.173682 0.930559 0.756753 O\n0.664601 0.426739 0.243797 O\n0.669423 0.433589 0.755798 O\n0.666177 0.925633 0.244065 O\n0.666266 0.925835 0.751257 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"La",
"Sm",
"Co",
"O"
],
"chemical_system": "Co-La-O-Sm",
"density": 6.664681664517533,
"density_atomic": 0.07415304034001831,
"volume": 1941.9298162247737,
"volume_molar": 8.121232430101749,
"formula_full": "La16 Sm16 Co32 O80",
"formula_reduced": "LaSmCo2O5",
"formula_anonymous": "ABC2D5",
"energy": -1153.06065484,
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"updated_at": "2021-11-28T01:37:09.908000Z",
"spacegroup": 1
},
{
"id": "mp-675339",
"created_at": "2022-09-04T14:45:36.341032Z",
"structure_string": "La18 Ni12 O41\n1.0\n13.391958 0.383722 14.190341\n5.974877 7.582112 3.347391\n-0.592961 -0.084551 10.061306\nLa Ni O\n18 12 41\ndirect\n0.019965 0.300708 0.969932 La\n0.728401 0.408676 0.563641 La\n0.316784 0.338099 0.871884 La\n0.491785 0.902635 0.917566 La\n0.801099 0.228331 0.178539 La\n0.450390 0.759315 0.573908 La\n0.390181 0.669430 0.024441 La\n0.209560 0.259642 0.414076 La\n0.807082 0.121028 0.824892 La\n0.716068 0.930616 0.178086 La\n0.844445 0.661691 0.511271 La\n0.124248 0.187464 0.223553 La\n0.681448 0.659112 0.052527 La\n0.456995 0.437797 0.434206 La\n0.107068 0.846297 0.081305 La\n0.588330 0.104470 0.943395 La\n0.150991 0.692124 0.482275 La\n0.027833 0.663003 0.980361 La\n0.923046 0.357061 0.755848 Ni\n0.899132 0.902853 0.474210 Ni\n0.245005 0.309924 0.689827 Ni\n0.463556 0.131778 0.395914 Ni\n0.524662 0.595699 0.125334 Ni\n0.262443 0.874264 0.431667 Ni\n0.648705 0.076479 0.531068 Ni\n0.512881 0.382646 0.726219 Ni\n0.945312 0.668115 0.775335 Ni\n0.765445 0.637254 0.306955 Ni\n0.051580 0.983932 0.741722 Ni\n0.519650 0.954683 0.579348 Ni\n0.145389 0.034393 0.038064 O\n0.749198 0.997397 0.570198 O\n0.397854 0.182204 0.286442 O\n0.308827 0.943786 0.195313 O\n0.991767 0.730594 0.253378 O\n0.235236 0.272877 0.146607 O\n0.989222 0.765015 0.547121 O\n0.225952 0.686317 0.182744 O\n0.667591 0.802107 0.829632 O\n0.139781 0.471824 0.637143 O\n0.108892 0.970431 0.508346 O\n0.605029 0.451517 0.530867 O\n0.139267 0.346512 0.969606 O\n0.553050 0.207980 0.201870 O\n0.373599 0.619790 0.296932 O\n0.247438 0.499469 0.709946 O\n0.016281 0.921437 0.956620 O\n0.512048 0.773585 0.721222 O\n0.614793 0.570912 0.874439 O\n0.265657 0.886094 0.617919 O\n0.673540 0.156581 0.313434 O\n0.279319 0.918433 0.930395 O\n0.378373 0.529737 0.736131 O\n0.549706 0.581976 0.286900 O\n0.955233 0.367287 0.532345 O\n0.480964 0.216927 0.842048 O\n0.444626 0.009207 0.208631 O\n0.924444 0.176708 0.205377 O\n0.641145 0.744899 0.305313 O\n0.572087 0.358445 0.833816 O\n0.388896 0.064600 0.603468 O\n0.901549 0.618185 0.027175 O\n0.856898 0.111326 0.555649 O\n0.834154 0.273251 0.877406 O\n0.884458 0.475598 0.327022 O\n0.668623 0.862631 0.500800 O\n0.860255 0.399570 0.001336 O\n0.996761 0.450279 0.677534 O\n0.761649 0.870001 0.909383 O\n0.206671 0.079641 0.634455 O\n0.930687 0.852350 0.857667 O\n",
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"formula_full": "La18 Ni12 O41",
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"energy": -527.97463799,
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},
{
"id": "mp-1223939",
"created_at": "2022-09-04T14:45:36.366822Z",
"structure_string": "In1 Mo6 Se4 S4\n1.0\n6.707576 0.000000 0.000000\n-0.029479 6.745939 0.000000\n-0.001061 -0.002627 6.802004\nIn Mo Se S\n1 6 4 4\ndirect\n0.001382 0.997500 0.000602 In\n0.766694 0.446019 0.580713 Mo\n0.442729 0.584213 0.761994 Mo\n0.582580 0.769691 0.442083 Mo\n0.229090 0.558933 0.418973 Mo\n0.555438 0.422319 0.236473 Mo\n0.415843 0.227734 0.553193 Mo\n0.619496 0.252614 0.876659 Se\n0.751426 0.124413 0.374293 Se\n0.120924 0.374173 0.748695 Se\n0.374977 0.751065 0.120744 Se\n0.758029 0.757973 0.750277 S\n0.240392 0.246991 0.248075 S\n0.271980 0.868927 0.612816 S\n0.869019 0.617435 0.274410 S\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "In-Mo-S-Se",
"density": 6.121120161008489,
"density_atomic": 0.0487356052725455,
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"formula_full": "In1 Mo6 Se4 S4",
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"updated_at": "2021-11-28T01:37:12.484000Z",
"spacegroup": 1
},
{
"id": "mp-779973",
"created_at": "2022-09-04T14:45:37.486807Z",
"structure_string": "Hf16 N16 O8\n1.0\n8.711230 0.000000 0.000000\n-2.902189 8.222533 0.000000\n-2.900152 -4.106395 7.143558\nHf N O\n16 16 8\ndirect\n0.511530 0.498636 0.500963 Hf\n0.211870 0.757390 0.463851 Hf\n0.470457 0.720818 0.246921 Hf\n0.963609 0.213645 0.258557 Hf\n0.292568 0.248066 0.035338 Hf\n0.747543 0.965078 0.706745 Hf\n0.990886 0.503203 0.994810 Hf\n0.245069 0.535220 0.785399 Hf\n0.500572 0.008286 0.010680 Hf\n0.253089 0.029253 0.286214 Hf\n0.000186 0.996769 0.489518 Hf\n0.743704 0.465169 0.215423 Hf\n0.718439 0.750806 0.968678 Hf\n0.027260 0.779966 0.749253 Hf\n0.539328 0.282139 0.750139 Hf\n0.786601 0.249782 0.536369 Hf\n0.770002 0.729635 0.737015 N\n0.538868 0.510374 0.271963 N\n0.507751 0.767590 0.039275 N\n0.957508 0.725858 0.469314 N\n0.240439 0.767815 0.228968 N\n0.728042 0.236096 0.269468 N\n0.726966 0.962926 0.457325 N\n0.763649 0.226552 0.778321 N\n0.995337 0.538101 0.766835 N\n0.773199 0.546644 0.011880 N\n0.484020 0.224893 0.952024 N\n0.966447 0.958508 0.226046 N\n0.052607 0.275434 0.536155 N\n0.258515 0.989538 0.031363 N\n0.273565 0.032306 0.547166 N\n0.534384 0.265091 0.488052 N\n0.278022 0.758686 0.724240 O\n0.463358 0.739814 0.520751 O\n0.226370 0.280235 0.264698 O\n0.013552 0.461550 0.235915 O\n0.221839 0.444900 0.980004 O\n0.033351 0.052545 0.776556 O\n0.452682 0.488851 0.723612 O\n0.736813 0.011831 0.964196 O\n",
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},
{
"id": "mp-1233855",
"created_at": "2022-09-04T14:45:37.687840Z",
"structure_string": "Mg1 Mn2 P2 H4 O10\n1.0\n5.095027 -0.244351 -1.466736\n-0.971808 5.279515 -1.298119\n-0.110458 0.122833 7.820840\nMg Mn P H O\n1 2 2 4 10\ndirect\n0.091057 0.351563 0.879884 Mg\n0.984465 0.448435 0.459230 Mn\n0.512848 0.014504 0.004800 Mn\n0.413529 0.581444 0.243832 P\n0.605829 0.463155 0.771758 P\n0.865724 0.908793 0.286126 H\n0.063087 0.094365 0.211446 H\n0.048135 0.935476 0.650338 H\n0.907141 0.865661 0.803193 H\n0.313418 0.699430 0.076877 O\n0.279265 0.650661 0.389541 O\n0.715830 0.332604 0.928371 O\n0.768554 0.387742 0.640552 O\n0.726331 0.666746 0.331439 O\n0.319738 0.285009 0.141889 O\n0.294926 0.373934 0.689303 O\n0.682495 0.758838 0.847376 O\n0.079861 0.966100 0.783455 O\n0.902767 0.078040 0.253445 O\n",
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"formula_full": "Mg1 Mn2 P2 H4 O10",
"formula_reduced": "MgMn2P2(H2O5)2",
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"energy": -135.99793281,
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{
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{
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"updated_at": "2021-11-28T01:37:07.565000Z",
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},
{
"id": "mp-1335117",
"created_at": "2022-09-04T14:45:37.504553Z",
"structure_string": "La24 Yb4 Se40\n1.0\n7.855024 0.000000 0.000000\n-2.627228 7.405067 0.000000\n-2.537592 -3.745324 32.082201\nLa Yb Se\n24 4 40\ndirect\n0.993392 0.376895 0.126987 La\n0.521231 0.398118 0.075571 La\n0.402740 0.787046 0.322219 La\n0.186927 0.930829 0.151676 La\n0.600355 0.722067 0.177378 La\n0.927790 0.800616 0.274521 La\n0.793467 0.176568 0.527145 La\n0.719392 0.970879 0.048378 La\n0.996712 0.120777 0.375598 La\n0.579215 0.324299 0.347550 La\n0.322069 0.199180 0.475473 La\n0.122153 0.370243 0.248541 La\n0.202639 0.586598 0.722580 La\n0.400074 0.521762 0.577775 La\n0.987039 0.730820 0.551901 La\n0.727584 0.600530 0.674778 La\n0.520930 0.770195 0.449354 La\n0.796660 0.921193 0.775902 La\n0.378847 0.123466 0.747781 La\n0.125065 0.999915 0.875394 La\n0.922015 0.170011 0.648736 La\n0.198614 0.323022 0.975645 La\n0.776619 0.524765 0.949278 La\n0.324920 0.575198 0.850212 La\n0.177303 0.801663 0.024202 Yb\n0.974066 0.598124 0.424966 Yb\n0.774177 0.396019 0.825535 Yb\n0.599408 0.978097 0.924497 Yb\n0.843627 0.700778 0.100365 Se\n0.343767 0.700453 0.098240 Se\n0.911584 0.416566 0.029211 Se\n0.243035 0.099530 0.301855 Se\n0.612750 0.107010 0.126641 Se\n0.336855 0.344600 0.167952 Se\n0.758255 0.097461 0.301180 Se\n0.908474 0.046570 0.199308 Se\n0.306591 0.803892 0.231165 Se\n0.136016 0.142163 0.070636 Se\n0.643663 0.499925 0.500758 Se\n0.012837 0.509831 0.329323 Se\n0.744549 0.734412 0.371074 Se\n0.144292 0.500322 0.498213 Se\n0.302485 0.445966 0.399220 Se\n0.042683 0.898982 0.702180 Se\n0.541390 0.549873 0.271516 Se\n0.902860 0.558927 0.200134 Se\n0.412449 0.907711 0.527021 Se\n0.137034 0.144984 0.567972 Se\n0.557966 0.897007 0.701279 Se\n0.708652 0.846508 0.599425 Se\n0.708830 0.215392 0.429392 Se\n0.445796 0.301964 0.900292 Se\n0.936175 0.941121 0.470902 Se\n0.296145 0.944450 0.400676 Se\n0.812824 0.309818 0.729442 Se\n0.544486 0.534572 0.771734 Se\n0.944755 0.296063 0.899784 Se\n0.102867 0.246340 0.799693 Se\n0.106475 0.603821 0.631284 Se\n0.341349 0.349943 0.671673 Se\n0.702967 0.358768 0.600237 Se\n0.216405 0.711732 0.929354 Se\n0.947125 0.938951 0.970458 Se\n0.501468 0.644011 0.999848 Se\n0.508195 0.015552 0.829139 Se\n0.738729 0.746607 0.871305 Se\n0.095863 0.743192 0.801172 Se\n0.496325 0.145339 0.999376 Se\n",
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{
"id": "mp-867962",
"created_at": "2022-09-04T14:45:36.724501Z",
"structure_string": "Li3 Cr4 P6 O24\n1.0\n4.233571 2.452060 7.011487\n-4.231214 7.536498 -0.039041\n-4.332424 2.414923 7.012600\nLi Cr P O\n3 4 6 24\ndirect\n0.350277 0.557959 0.619638 Li\n0.030384 0.054594 0.613764 Li\n0.741332 0.339256 0.365793 Li\n0.848915 0.575241 0.789239 Cr\n0.355022 0.073284 0.795874 Cr\n0.646000 0.929151 0.201453 Cr\n0.153825 0.432274 0.201147 Cr\n0.528610 0.741839 0.720083 P\n0.249306 0.759757 0.278676 P\n0.752946 0.243233 0.721007 P\n0.035612 0.252550 0.000150 P\n0.475391 0.256828 0.277514 P\n0.957665 0.752564 0.999670 P\n0.119403 0.932843 0.870629 O\n0.010652 0.441080 0.864255 O\n0.484868 0.896353 0.758021 O\n0.061932 0.713202 0.483706 O\n0.369318 0.550885 0.901883 O\n0.232287 0.264728 0.821708 O\n0.288009 0.952607 0.087282 O\n0.548721 0.778332 0.515621 O\n0.722756 0.734610 0.692573 O\n0.944774 0.764682 0.819141 O\n0.407562 0.758851 0.320655 O\n0.248874 0.611111 0.230154 O\n0.758202 0.394236 0.764329 O\n0.041854 0.248843 0.178412 O\n0.596844 0.243559 0.679299 O\n0.277097 0.256670 0.322233 O\n0.726437 0.049948 0.903544 O\n0.473109 0.218328 0.474774 O\n0.766334 0.749023 0.174454 O\n0.634573 0.448138 0.089100 O\n0.939334 0.279494 0.516233 O\n0.520454 0.101857 0.238732 O\n0.982604 0.567446 0.132962 O\n0.876384 0.077220 0.116201 O\n",
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}
]
}