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{
"id": "mp-1235117",
"created_at": "2022-09-04T14:48:05.571314Z",
"structure_string": "Li1 P4 Br12 O4\n1.0\n6.684284 -0.277425 -0.073755\n-0.446266 10.103718 -0.125553\n-0.126832 -0.126464 10.750304\nLi P Br O\n1 4 12 4\ndirect\n0.086622 0.050745 0.047812 Li\n0.390176 0.314848 0.244987 P\n0.614062 0.691750 0.745476 P\n0.899984 0.187843 0.744721 P\n0.110463 0.813424 0.245162 P\n0.806371 0.655693 0.586883 Br\n0.881911 0.990799 0.234851 Br\n0.299221 0.835927 0.431106 Br\n0.716325 0.152823 0.912981 Br\n0.200606 0.351696 0.403572 Br\n0.803911 0.662570 0.910737 Br\n0.383237 0.523292 0.742162 Br\n0.703071 0.127259 0.585510 Br\n0.115347 0.033761 0.760566 Br\n0.189499 0.335149 0.077280 Br\n0.305520 0.862023 0.048157 Br\n0.612746 0.485488 0.240268 Br\n0.531778 0.822635 0.744097 O\n0.998308 0.323967 0.740835 O\n0.472216 0.183904 0.242923 O\n0.993209 0.681902 0.235061 O\n",
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{
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"structure_string": "K8 Li3 Fe4 O16\n1.0\n5.553228 0.000000 0.000000\n0.139039 8.449612 0.000000\n0.995965 0.695678 10.880660\nK Li Fe O\n8 3 4 16\ndirect\n0.205515 0.983287 0.167620 K\n0.200718 0.257947 0.632188 K\n0.290514 0.492996 0.341638 K\n0.323392 0.769343 0.864993 K\n0.679770 0.260273 0.110148 K\n0.721206 0.501444 0.698879 K\n0.803384 0.737862 0.368397 K\n0.793357 0.013770 0.827354 K\n0.216488 0.024442 0.431664 Li\n0.279183 0.516140 0.061254 Li\n0.789807 0.973271 0.566545 Li\n0.200716 0.279863 0.933568 Fe\n0.293907 0.774421 0.567047 Fe\n0.714227 0.223027 0.431792 Fe\n0.793266 0.713963 0.062863 Fe\n0.165909 0.300828 0.091855 O\n0.068806 0.688346 0.120437 O\n0.120386 0.940304 0.615068 O\n0.192534 0.582902 0.589617 O\n0.440373 0.190051 0.371546 O\n0.314993 0.800816 0.406082 O\n0.308604 0.092467 0.903409 O\n0.376155 0.443636 0.893986 O\n0.585630 0.579606 0.122616 O\n0.705537 0.899296 0.094002 O\n0.689306 0.197260 0.592734 O\n0.566847 0.807016 0.628860 O\n0.808435 0.416543 0.409381 O\n0.886363 0.054218 0.387040 O\n0.933767 0.288660 0.868160 O\n0.831902 0.705348 0.910412 O\n",
"nsites": 31,
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"elements": [
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],
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"density": 2.644181978921532,
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"formula_full": "K8 Li3 Fe4 O16",
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"spacegroup": 1
},
{
"id": "mp-1228158",
"created_at": "2022-09-04T14:40:29.101996Z",
"structure_string": "Al5 S8\n1.0\n0.000000 4.971947 4.971947\n4.971947 0.000000 4.971947\n4.971947 4.971947 0.000000\nAl S\n5 8\ndirect\n0.633303 0.633303 0.100091 Al\n0.633303 0.100091 0.633303 Al\n0.100091 0.633303 0.633303 Al\n0.633303 0.633303 0.633303 Al\n0.250000 0.250000 0.250000 Al\n0.870899 0.870899 0.387302 S\n0.870899 0.387302 0.870899 S\n0.387302 0.870899 0.870899 S\n0.870899 0.870899 0.870899 S\n0.383702 0.383702 0.848894 S\n0.383702 0.848894 0.383702 S\n0.848894 0.383702 0.383702 S\n0.383702 0.383702 0.383702 S\n",
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"formula_full": "Al5 S8",
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},
{
"id": "mp-760251",
"created_at": "2022-09-04T14:43:35.789796Z",
"structure_string": "Na4 Cu2 P4 O14\n1.0\n2.580140 8.447714 0.000000\n-2.580140 8.447714 0.000000\n0.000000 3.796313 8.167359\nNa Cu P O\n4 2 4 14\ndirect\n0.830939 0.554892 0.432384 Na\n0.554892 0.830939 0.932384 Na\n0.445108 0.169061 0.067616 Na\n0.169061 0.445108 0.567616 Na\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.946553 0.237367 0.187906 P\n0.237367 0.946553 0.687906 P\n0.762633 0.053447 0.312094 P\n0.053447 0.762633 0.812094 P\n0.213944 0.118505 0.122281 O\n0.118505 0.213944 0.622281 O\n0.754471 0.427864 0.057193 O\n0.803595 0.379419 0.340239 O\n0.427864 0.754471 0.557193 O\n0.379419 0.803595 0.840239 O\n0.015213 0.984787 0.250000 O\n0.984787 0.015213 0.750000 O\n0.620581 0.196405 0.159761 O\n0.572136 0.245529 0.442807 O\n0.196405 0.620581 0.659761 O\n0.245529 0.572136 0.942807 O\n0.881495 0.786056 0.377719 O\n0.786056 0.881495 0.877719 O\n",
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"elements": [
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"formula_full": "Na4 Cu2 P4 O14",
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"spacegroup": 15
},
{
"id": "mp-1192804",
"created_at": "2022-09-04T14:40:29.495966Z",
"structure_string": "K2 Fe2 S4 O18\n1.0\n5.208593 0.000000 0.000000\n0.000000 8.105729 0.000000\n0.000000 2.057323 9.016129\nK Fe S O\n2 2 4 18\ndirect\n0.250000 0.424196 0.217291 K\n0.750000 0.575804 0.782709 K\n0.250000 0.911654 0.225928 Fe\n0.750000 0.088346 0.774072 Fe\n0.250000 0.332219 0.654334 S\n0.750000 0.667781 0.345666 S\n0.250000 0.846033 0.882177 S\n0.750000 0.153967 0.117823 S\n0.250000 0.260868 0.520208 O\n0.750000 0.739132 0.479792 O\n0.250000 0.516529 0.623750 O\n0.750000 0.483471 0.376250 O\n0.017343 0.269939 0.749219 O\n0.517343 0.730061 0.250781 O\n0.982657 0.730061 0.250781 O\n0.482657 0.269939 0.749219 O\n0.250000 0.937375 0.005134 O\n0.750000 0.062625 0.994866 O\n0.250000 0.662470 0.933824 O\n0.750000 0.337530 0.066176 O\n0.016314 0.899885 0.787939 O\n0.516314 0.100115 0.212061 O\n0.983686 0.100115 0.212061 O\n0.483686 0.899885 0.787939 O\n0.250000 0.893271 0.454242 O\n0.750000 0.106729 0.545758 O\n",
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{
"id": "mp-540064",
"created_at": "2022-09-04T14:47:37.565746Z",
"structure_string": "Li2 Co2 P8 O24\n1.0\n9.161392 0.000000 0.000000\n0.000000 7.253272 0.000000\n0.000000 2.549911 7.216058\nLi Co P O\n2 2 8 24\ndirect\n0.667091 0.378686 0.412518 Li\n0.167091 0.621314 0.587482 Li\n0.999898 0.244026 0.757659 Co\n0.499898 0.755974 0.242341 Co\n0.289083 0.910456 0.868780 P\n0.413588 0.047736 0.478209 P\n0.711891 0.598058 0.640712 P\n0.913588 0.952264 0.521791 P\n0.580566 0.444217 0.022007 P\n0.211891 0.401942 0.359288 P\n0.789083 0.089544 0.131220 P\n0.080566 0.555783 0.977993 P\n0.942173 0.654487 0.987187 O\n0.095035 0.439573 0.842561 O\n0.550109 0.157202 0.476977 O\n0.050109 0.842798 0.523023 O\n0.907839 0.094977 0.994177 O\n0.678035 0.930846 0.172697 O\n0.774109 0.814640 0.581383 O\n0.600247 0.592036 0.496401 O\n0.720635 0.303459 0.076429 O\n0.595035 0.560427 0.157439 O\n0.870237 0.090631 0.317819 O\n0.442173 0.345513 0.012813 O\n0.406278 0.909398 0.366950 O\n0.178035 0.069154 0.827303 O\n0.370237 0.909369 0.682181 O\n0.129967 0.403983 0.175419 O\n0.324540 0.559093 0.328693 O\n0.274109 0.185360 0.418617 O\n0.906278 0.090602 0.633050 O\n0.824540 0.440907 0.671307 O\n0.629967 0.596017 0.824581 O\n0.407839 0.905023 0.005823 O\n0.220635 0.696541 0.923571 O\n0.100247 0.407964 0.503599 O\n",
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{
"id": "mp-1223669",
"created_at": "2022-09-04T14:39:13.368694Z",
"structure_string": "K2 Al6 Si6 O24\n1.0\n4.588044 2.651523 0.000000\n-4.588044 2.651523 0.000000\n0.000000 2.340990 20.458149\nK Al Si O\n2 6 6 24\ndirect\n0.102899 0.907755 0.739220 K\n0.907755 0.102899 0.239220 K\n0.805976 0.625256 0.502872 Al\n0.367161 0.181596 0.003078 Al\n0.181596 0.367161 0.503078 Al\n0.625256 0.805976 0.002872 Al\n0.462013 0.612183 0.635239 Al\n0.612183 0.462013 0.135239 Al\n0.391893 0.536776 0.866378 Si\n0.536776 0.391893 0.366378 Si\n0.804654 0.295849 0.637431 Si\n0.705458 0.191854 0.866650 Si\n0.191854 0.705458 0.366650 Si\n0.295849 0.804654 0.137431 Si\n0.700009 0.510017 0.667898 O\n0.531995 0.348471 0.834397 O\n0.348471 0.531995 0.334397 O\n0.510017 0.700009 0.167898 O\n0.548976 0.959245 0.656092 O\n0.057768 0.408321 0.844640 O\n0.408321 0.057769 0.344640 O\n0.959245 0.548976 0.156092 O\n0.882162 0.380474 0.556014 O\n0.617380 0.121776 0.945235 O\n0.121776 0.617380 0.445235 O\n0.380474 0.882162 0.056014 O\n0.103822 0.357267 0.668843 O\n0.593380 0.880254 0.833332 O\n0.880254 0.593380 0.333332 O\n0.357267 0.103822 0.168843 O\n0.067121 0.983046 0.531831 O\n0.014564 0.943604 0.965763 O\n0.943604 0.014564 0.465763 O\n0.983046 0.067121 0.031831 O\n0.479110 0.577899 0.550619 O\n0.414048 0.527966 0.944468 O\n0.527966 0.414048 0.444468 O\n0.577899 0.479110 0.050619 O\n",
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{
"id": "mp-767765",
"created_at": "2022-09-04T14:43:23.059832Z",
"structure_string": "Li34 Sb8 S7\n1.0\n-4.842481 4.842481 9.604818\n4.842481 -4.842481 9.604818\n4.842481 4.842481 -9.604818\nLi Sb S\n34 8 7\ndirect\n0.730528 0.009864 0.883850 Li\n0.009864 0.126013 0.279335 Li\n0.359550 0.222457 0.582007 Li\n0.448657 0.150809 0.849865 Li\n0.154163 0.044725 0.715915 Li\n0.777543 0.359550 0.137093 Li\n0.438248 0.154163 0.109437 Li\n0.150809 0.300944 0.702152 Li\n0.569571 0.069571 0.500000 Li\n0.930429 0.430429 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.598792 0.448657 0.297848 Li\n0.873987 0.153322 0.883850 Li\n0.044725 0.328810 0.890563 Li\n0.222457 0.640450 0.862907 Li\n0.328810 0.438248 0.284085 Li\n0.153322 0.269472 0.279335 Li\n0.300944 0.598792 0.150135 Li\n0.640450 0.777543 0.417993 Li\n0.699056 0.401208 0.849865 Li\n0.846678 0.730528 0.720665 Li\n0.671190 0.561752 0.715915 Li\n0.955275 0.671190 0.109437 Li\n0.126013 0.846678 0.116150 Li\n0.401208 0.551343 0.702152 Li\n0.430429 0.930429 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.069571 0.569571 0.500000 Li\n0.849191 0.699056 0.297848 Li\n0.561752 0.845837 0.890563 Li\n0.845837 0.955275 0.284085 Li\n0.551343 0.849191 0.150135 Li\n0.990136 0.873987 0.720665 Li\n0.269472 0.990136 0.116150 Li\n0.718293 0.155515 0.186795 Sb\n0.844485 0.031280 0.562778 Sb\n0.468502 0.281707 0.437222 Sb\n0.968720 0.531498 0.813205 Sb\n0.031280 0.468502 0.186795 Sb\n0.531498 0.718293 0.562778 Sb\n0.155515 0.968720 0.437222 Sb\n0.281707 0.844485 0.813205 Sb\n0.000000 0.000000 0.000000 S\n0.607162 0.184053 0.791215 S\n0.184053 0.392838 0.576891 S\n0.317107 0.317107 0.000000 S\n0.815947 0.607162 0.423109 S\n0.392838 0.815947 0.208785 S\n0.682893 0.682893 0.000000 S\n",
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"formula_full": "Li34 Sb8 S7",
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{
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{
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"structure_string": "Ca56 Mn4 P44\n1.0\n-7.659125 7.665348 10.234634\n7.659125 -7.665348 10.234634\n7.659125 7.665348 -10.234634\nCa Mn P\n56 4 44\ndirect\n0.500000 0.351783 0.851783 Ca\n0.645467 0.623438 0.114669 Ca\n0.877923 0.840483 0.379207 Ca\n0.585738 0.500770 0.771470 Ca\n0.729358 0.372626 0.096564 Ca\n0.461275 0.340483 0.462560 Ca\n0.366773 0.268456 0.147657 Ca\n0.867135 0.723407 0.096760 Ca\n0.695666 0.274391 0.779345 Ca\n0.144547 0.995654 0.647852 Ca\n0.969992 0.493317 0.114550 Ca\n0.120799 0.768456 0.401683 Ca\n0.855453 0.503305 0.851107 Ca\n0.414262 0.185732 0.915032 Ca\n0.774104 0.498692 0.583819 Ca\n0.304334 0.083679 0.578725 Ca\n0.997760 0.729762 0.910388 Ca\n0.232033 0.133479 0.352095 Ca\n0.879201 0.280884 0.647657 Ca\n0.781384 0.633479 0.401446 Ca\n0.002240 0.912628 0.732002 Ca\n0.159262 0.038195 0.038499 Ca\n0.270700 0.685732 0.271470 Ca\n0.122077 0.501285 0.962560 Ca\n0.000000 0.647984 0.647984 Ca\n0.491231 0.969203 0.614669 Ca\n0.276062 0.872626 0.143268 Ca\n0.000303 0.379236 0.538499 Ca\n0.508769 0.123438 0.477971 Ca\n0.218616 0.620062 0.852095 Ca\n0.999697 0.538195 0.378933 Ca\n0.500000 0.851783 0.351783 Ca\n0.378767 0.993317 0.023325 Ca\n0.225896 0.809716 0.724589 Ca\n0.354533 0.469203 0.977971 Ca\n0.504954 0.583679 0.279345 Ca\n0.723938 0.867205 0.596564 Ca\n0.626647 0.223407 0.356272 Ca\n0.270642 0.367205 0.643268 Ca\n0.495046 0.774391 0.078725 Ca\n0.180626 0.412628 0.410388 Ca\n0.729300 0.000770 0.415032 Ca\n0.085127 0.309716 0.083819 Ca\n0.652198 0.003305 0.147852 Ca\n0.373353 0.729625 0.596760 Ca\n0.538725 0.001285 0.879207 Ca\n0.347802 0.495654 0.351107 Ca\n0.819374 0.229762 0.232002 Ca\n0.633227 0.780884 0.901683 Ca\n0.132865 0.229625 0.856272 Ca\n0.030008 0.144559 0.523325 Ca\n0.767967 0.120062 0.901446 Ca\n0.914873 0.998692 0.224589 Ca\n0.621233 0.644559 0.614550 Ca\n0.840738 0.879236 0.878933 Ca\n0.000000 0.147984 0.147984 Ca\n0.625696 0.373990 0.249666 Mn\n0.124324 0.873990 0.248294 Mn\n0.875676 0.123970 0.749666 Mn\n0.374304 0.623970 0.748294 Mn\n0.553592 0.432423 0.111604 P\n0.426039 0.269575 0.603913 P\n0.746312 0.496248 0.991877 P\n0.855363 0.605689 0.210917 P\n0.768952 0.668833 0.845684 P\n0.557642 0.443136 0.378875 P\n0.064261 0.943136 0.385494 P\n0.253688 0.245565 0.749936 P\n0.678192 0.335161 0.607307 P\n0.053759 0.942097 0.120116 P\n0.831715 0.728639 0.654349 P\n0.321808 0.929115 0.656969 P\n0.058698 0.678407 0.109015 P\n0.935739 0.321233 0.878875 P\n0.987938 0.513438 0.750312 P\n0.821980 0.442097 0.388338 P\n0.320819 0.932423 0.378831 P\n0.573961 0.177874 0.843536 P\n0.168285 0.822634 0.896923 P\n0.272146 0.429115 0.107307 P\n0.012062 0.762373 0.525500 P\n0.495629 0.745565 0.491877 P\n0.394773 0.105689 0.250326 P\n0.231048 0.076733 0.899881 P\n0.144637 0.355554 0.750326 P\n0.334338 0.677874 0.103913 P\n0.925711 0.322634 0.154349 P\n0.178020 0.566357 0.620116 P\n0.679181 0.058012 0.611604 P\n0.504371 0.996248 0.249936 P\n0.569392 0.178407 0.119709 P\n0.442358 0.821233 0.885494 P\n0.176852 0.576733 0.345684 P\n0.665662 0.769575 0.343536 P\n0.446408 0.558012 0.878831 P\n0.823148 0.168833 0.399881 P\n0.236873 0.262373 0.250312 P\n0.430608 0.550317 0.609015 P\n0.941302 0.050317 0.619709 P\n0.727854 0.835161 0.156969 P\n0.763127 0.013438 0.025500 P\n0.605227 0.855554 0.710917 P\n0.074289 0.228639 0.396923 P\n0.946241 0.066357 0.888338 P\n",
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{
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"structure_string": "Rb4 P6\n1.0\n0.000000 4.897127 7.442134\n4.546947 0.000000 7.442134\n4.546947 4.897127 0.000000\nRb P\n4 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.723132 0.276868 0.723132 Rb\n0.276868 0.723132 0.276868 Rb\n0.853421 0.853421 0.146579 P\n0.146579 0.146579 0.853421 P\n0.720819 0.133394 0.279181 P\n0.866606 0.279181 0.133394 P\n0.279181 0.866606 0.720819 P\n0.133394 0.720819 0.866606 P\n",
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"volume": 331.42765204598277,
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"formula_full": "Rb4 P6",
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{
"id": "mp-780575",
"created_at": "2022-09-04T14:46:18.675092Z",
"structure_string": "Na8 Fe4 Si24 O60\n1.0\n7.124839 -8.799461 0.000000\n7.124839 8.799461 0.000000\n0.000000 0.000000 10.224607\nNa Fe Si O\n8 4 24 60\ndirect\n0.473881 0.026119 0.250000 Na\n0.026119 0.473881 0.750000 Na\n0.416263 0.583737 0.249142 Na\n0.916263 0.083737 0.250858 Na\n0.583737 0.416263 0.750858 Na\n0.083737 0.916263 0.749142 Na\n0.973881 0.526119 0.250000 Na\n0.526119 0.973881 0.750000 Na\n0.165852 0.334148 0.250000 Fe\n0.334148 0.165852 0.750000 Fe\n0.665852 0.834148 0.250000 Fe\n0.834148 0.665852 0.750000 Fe\n0.185914 0.041503 0.306772 Si\n0.041503 0.185914 0.693228 Si\n0.458497 0.314086 0.193228 Si\n0.314086 0.458497 0.806772 Si\n0.697613 0.075765 0.459938 Si\n0.197613 0.575765 0.040062 Si\n0.575765 0.197613 0.959938 Si\n0.075765 0.697613 0.540062 Si\n0.519389 0.254395 0.485955 Si\n0.254395 0.519389 0.514045 Si\n0.019389 0.754395 0.014045 Si\n0.754395 0.019389 0.985955 Si\n0.745605 0.480611 0.485955 Si\n0.980611 0.245605 0.985955 Si\n0.245605 0.980611 0.014045 Si\n0.480611 0.745605 0.514045 Si\n0.924235 0.302387 0.459938 Si\n0.302387 0.924235 0.540062 Si\n0.802387 0.424235 0.959938 Si\n0.424235 0.802387 0.040062 Si\n0.541503 0.685914 0.806772 Si\n0.685914 0.541503 0.193228 Si\n0.958497 0.814086 0.306772 Si\n0.814086 0.958497 0.693228 Si\n0.252802 0.027668 0.166060 O\n0.027668 0.252802 0.833940 O\n0.281640 0.004489 0.411807 O\n0.004489 0.281640 0.588193 O\n0.171222 0.154542 0.669524 O\n0.154542 0.171222 0.330476 O\n0.247741 0.083914 0.906687 O\n0.083914 0.247741 0.093313 O\n0.416086 0.252259 0.593313 O\n0.252259 0.416086 0.406687 O\n0.345458 0.328778 0.830476 O\n0.328778 0.345458 0.169524 O\n0.163529 0.501332 0.173241 O\n0.663529 0.001332 0.326759 O\n0.501332 0.163529 0.826759 O\n0.001332 0.663529 0.673241 O\n0.495511 0.218360 0.088193 O\n0.218360 0.495511 0.911807 O\n0.247198 0.472332 0.666060 O\n0.472332 0.247198 0.333940 O\n0.586246 0.139746 0.503410 O\n0.639746 0.086246 0.003410 O\n0.086246 0.639746 0.996590 O\n0.139746 0.586246 0.496590 O\n0.322058 0.677942 0.066351 O\n0.879421 0.120579 0.010868 O\n0.822058 0.177942 0.433649 O\n0.943010 0.056990 0.689789 O\n0.556990 0.443010 0.189789 O\n0.677942 0.322058 0.933649 O\n0.056990 0.943010 0.310211 O\n0.620579 0.379421 0.510868 O\n0.443010 0.556990 0.810211 O\n0.120579 0.879421 0.989132 O\n0.379421 0.620579 0.489132 O\n0.177942 0.822058 0.566351 O\n0.860254 0.413754 0.503410 O\n0.913754 0.360254 0.003410 O\n0.413754 0.860254 0.496590 O\n0.360254 0.913754 0.996590 O\n0.752802 0.527668 0.333940 O\n0.527668 0.752802 0.666060 O\n0.781640 0.504489 0.088193 O\n0.504489 0.781640 0.911807 O\n0.998668 0.336471 0.326759 O\n0.836471 0.498668 0.826759 O\n0.336471 0.998668 0.673241 O\n0.498668 0.836471 0.173241 O\n0.654542 0.671222 0.169524 O\n0.671222 0.654542 0.830476 O\n0.747741 0.583914 0.593313 O\n0.583914 0.747741 0.406687 O\n0.916086 0.752259 0.906687 O\n0.752259 0.916086 0.093313 O\n0.845458 0.828778 0.669524 O\n0.828778 0.845458 0.330476 O\n0.995511 0.718360 0.411807 O\n0.718360 0.995511 0.588193 O\n0.972332 0.747198 0.166060 O\n0.747198 0.972332 0.833940 O\n",
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}
]
}