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{
"count": 146323,
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{
"id": "mp-1225988",
"created_at": "2022-09-04T14:40:15.578360Z",
"structure_string": "K8 In18 Si28\n1.0\n7.927187 -7.953550 0.000000\n7.927187 7.953550 0.000000\n0.000000 0.000000 10.999892\nK In Si\n8 18 28\ndirect\n0.752237 0.499849 0.250000 K\n0.499849 0.752237 0.750000 K\n0.000280 0.000280 0.500000 K\n0.247873 0.499965 0.250000 K\n0.499965 0.247873 0.750000 K\n0.000280 0.000280 0.000000 K\n0.499735 0.000288 0.250000 K\n0.000288 0.499735 0.750000 K\n0.673130 0.821853 0.425765 In\n0.324101 0.179785 0.074267 In\n0.324101 0.179785 0.425733 In\n0.673130 0.821853 0.074235 In\n0.673179 0.180226 0.074819 In\n0.325046 0.822372 0.426378 In\n0.325046 0.822372 0.073622 In\n0.673179 0.180226 0.425181 In\n0.821853 0.673130 0.925765 In\n0.179785 0.324101 0.574267 In\n0.179785 0.324101 0.925733 In\n0.821853 0.673130 0.574235 In\n0.180226 0.673179 0.574819 In\n0.822372 0.325046 0.926378 In\n0.822372 0.325046 0.573622 In\n0.180226 0.673179 0.925181 In\n0.750522 0.000132 0.750000 In\n0.000132 0.750522 0.250000 In\n0.498142 0.669324 0.359735 Si\n0.595163 0.001513 0.565536 Si\n0.817230 0.903905 0.250000 Si\n0.498683 0.330821 0.140807 Si\n0.384124 0.002032 0.925401 Si\n0.174160 0.116437 0.250000 Si\n0.498683 0.330821 0.359193 Si\n0.384124 0.002032 0.574599 Si\n0.498142 0.669324 0.140265 Si\n0.595163 0.001513 0.934464 Si\n0.825232 0.116634 0.250000 Si\n0.183054 0.904495 0.250000 Si\n0.669324 0.498142 0.859735 Si\n0.001513 0.595163 0.065536 Si\n0.903905 0.817230 0.750000 Si\n0.330821 0.498683 0.640807 Si\n0.002032 0.384124 0.425401 Si\n0.116437 0.174160 0.750000 Si\n0.330821 0.498683 0.859193 Si\n0.002032 0.384124 0.074599 Si\n0.669324 0.498142 0.640265 Si\n0.001513 0.595163 0.434464 Si\n0.116634 0.825232 0.750000 Si\n0.904495 0.183054 0.750000 Si\n0.499536 0.499536 0.500000 Si\n0.249415 0.000213 0.750000 Si\n0.000213 0.249415 0.250000 Si\n0.499536 0.499536 0.000000 Si\n",
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"elements": [
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"In",
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"density": 3.790079836374589,
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"volume": 1387.0705009606165,
"volume_molar": 15.468766297830644,
"formula_full": "K8 In18 Si28",
"formula_reduced": "K4In9Si14",
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"updated_at": "2021-11-28T01:34:53.432000Z",
"spacegroup": 40
},
{
"id": "mp-720533",
"created_at": "2022-09-04T14:40:06.865665Z",
"structure_string": "Na2 Li10 Ti6 Cr6 P18 O72\n1.0\n-8.464099 0.000000 0.000000\n4.220417 7.851462 0.000000\n-0.010427 -1.046587 -20.875312\nNa Li Ti Cr P O\n2 10 6 6 18 72\ndirect\n0.999651 0.998660 0.498686 Na\n0.338311 0.670443 0.166344 Na\n0.151831 0.627611 0.774828 Li\n0.559030 0.542905 0.691748 Li\n0.757841 0.768401 0.916861 Li\n0.486554 0.303120 0.439297 Li\n0.899623 0.216575 0.361053 Li\n0.098407 0.440982 0.580918 Li\n0.856459 0.378056 0.223754 Li\n0.815983 0.964906 0.106658 Li\n0.232320 0.887688 0.024872 Li\n0.425151 0.100047 0.247819 Li\n0.187558 0.372021 0.953623 Ti\n0.475910 0.953307 0.881465 Ti\n0.518237 0.038592 0.620532 Ti\n0.804809 0.611912 0.547138 Ti\n0.865170 0.727892 0.784400 Ti\n0.147133 0.275529 0.215640 Ti\n0.857401 0.713083 0.287009 Cr\n0.140780 0.282356 0.714814 Cr\n0.201167 0.399978 0.450222 Cr\n0.473367 0.946821 0.381199 Cr\n0.532614 0.065102 0.116275 Cr\n0.807973 0.616346 0.047743 Cr\n0.907112 0.097983 0.845523 P\n0.286190 0.001460 0.749342 P\n0.474989 0.239449 0.989093 P\n0.856045 0.425208 0.677149 P\n0.051533 0.665940 0.918007 P\n0.239934 0.763110 0.512342 P\n0.424065 0.571046 0.822507 P\n0.621892 0.665228 0.414175 P\n0.808977 0.907162 0.654398 P\n0.187538 0.089456 0.346404 P\n0.381805 0.330864 0.583856 P\n0.578750 0.433975 0.179956 P\n0.759205 0.234794 0.489178 P\n0.952189 0.333195 0.082651 P\n0.139362 0.570291 0.321087 P\n0.520806 0.758716 0.010976 P\n0.712128 0.997056 0.250234 P\n0.092517 0.900514 0.155806 P\n0.385144 0.725533 0.827217 O\n0.572256 0.844241 0.945324 O\n0.985763 0.177701 0.912203 O\n0.237540 0.827647 0.929229 O\n0.704194 0.047178 0.843159 O\n0.003545 0.216751 0.793447 O\n0.403033 0.966590 0.701108 O\n0.368294 0.022871 0.817776 O\n0.532387 0.142237 0.937919 O\n0.709943 0.240495 0.667549 O\n0.032812 0.442714 0.705737 O\n0.063386 0.506145 0.933863 O\n0.270590 0.156969 0.734078 O\n0.300593 0.233663 0.964284 O\n0.725388 0.393512 0.494012 O\n0.622893 0.420084 0.998677 O\n0.907376 0.510517 0.611187 O\n0.786977 0.521783 0.724170 O\n0.981559 0.645305 0.846933 O\n0.920608 0.697536 0.961238 O\n0.319494 0.848831 0.578578 O\n0.569387 0.493442 0.593869 O\n0.039040 0.725596 0.510457 O\n0.324975 0.447187 0.874403 O\n0.334275 0.881043 0.459387 O\n0.629507 0.628866 0.829284 O\n0.100504 0.833029 0.747091 O\n0.361073 0.490160 0.754030 O\n0.743589 0.632690 0.369005 O\n0.710563 0.695344 0.483830 O\n0.868003 0.816116 0.601473 O\n0.764003 0.801630 0.716057 O\n0.049491 0.905310 0.337200 O\n0.918596 0.926277 0.839664 O\n0.369278 0.112575 0.372358 O\n0.395766 0.173355 0.602114 O\n0.605615 0.823445 0.401285 O\n0.631779 0.898213 0.632250 O\n0.057738 0.059981 0.162068 O\n0.955282 0.088687 0.664106 O\n0.233987 0.177226 0.279696 O\n0.113014 0.178820 0.394055 O\n0.306936 0.297743 0.513759 O\n0.254902 0.365715 0.628196 O\n0.652240 0.509685 0.246444 O\n0.894690 0.170511 0.257847 O\n0.373876 0.384917 0.176148 O\n0.653745 0.111117 0.540536 O\n0.670270 0.551954 0.126788 O\n0.960157 0.281327 0.498237 O\n0.441020 0.496568 0.413477 O\n0.694999 0.156293 0.420500 O\n0.078556 0.305996 0.036534 O\n0.034861 0.366842 0.153239 O\n0.201480 0.478014 0.267839 O\n0.087857 0.464861 0.381751 O\n0.377999 0.572016 0.001004 O\n0.247779 0.593059 0.510675 O\n0.698727 0.776116 0.039008 O\n0.730774 0.845556 0.268856 O\n0.936466 0.490039 0.068045 O\n0.963305 0.553621 0.293293 O\n0.285960 0.752344 0.330164 O\n0.444240 0.844114 0.059778 O\n0.636028 0.962705 0.179829 O\n0.583831 0.032036 0.294128 O\n0.990592 0.773164 0.205116 O\n0.296108 0.953418 0.164949 O\n0.774891 0.162121 0.079750 O\n0.030637 0.827065 0.086355 O\n0.419014 0.134414 0.050189 O\n0.598835 0.266259 0.177288 O\n",
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"elements": [
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"Li",
"Ti",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-Na-O-P-Ti",
"density": 2.9015289228221284,
"density_atomic": 0.08217516952365049,
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"volume_molar": 7.3284190284107575,
"formula_full": "Na2 Li10 Ti6 Cr6 P18 O72",
"formula_reduced": "NaLi5Ti3Cr3(PO4)9",
"formula_anonymous": "AB3C3D5E9F36",
"energy": -897.69419797,
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"updated_at": "2021-11-28T01:34:52.128000Z",
"spacegroup": 1
},
{
"id": "mp-1179649",
"created_at": "2022-09-04T14:46:20.078373Z",
"structure_string": "Sn4 As3\n1.0\n6.088782 9.889709 0.000000\n-6.088782 9.889709 0.000000\n0.000000 5.685962 11.519340\nSn As\n4 3\ndirect\n0.270945 0.270945 0.728519 Sn\n0.729055 0.729055 0.271481 Sn\n0.574136 0.574136 0.425827 Sn\n0.425864 0.425864 0.574173 Sn\n0.000000 0.000000 0.000000 As\n0.873805 0.873805 0.125852 As\n0.126195 0.126195 0.874148 As\n",
"nsites": 7,
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],
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"density": 0.8373949692248355,
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"volume": 1387.3036551154207,
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"formula_full": "Sn4 As3",
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"energy": -21.46886578,
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"updated_at": "2021-11-28T01:37:23.568000Z",
"spacegroup": 12
},
{
"id": "mp-1245186",
"created_at": "2022-09-04T14:47:08.218342Z",
"structure_string": "Ti68 O34\n1.0\n10.894429 0.103369 0.068568\n0.111678 10.447100 0.331783\n0.061226 0.321933 12.201836\nTi O\n68 34\ndirect\n0.326981 0.531012 0.607399 Ti\n0.379314 0.251871 0.646314 Ti\n0.035168 0.455016 0.589475 Ti\n0.724457 0.231259 0.385345 Ti\n0.859919 0.317168 0.757174 Ti\n0.835379 0.034733 0.746061 Ti\n0.875358 0.337598 0.179545 Ti\n0.040434 0.546448 0.193647 Ti\n0.310311 0.964009 0.661823 Ti\n0.561047 0.875615 0.609686 Ti\n0.749491 0.767079 0.368226 Ti\n0.334729 0.803806 0.470307 Ti\n0.793331 0.649319 0.106592 Ti\n0.788690 0.459022 0.514271 Ti\n0.352919 0.252738 0.861406 Ti\n0.918105 0.583525 0.758033 Ti\n0.924283 0.592848 0.374463 Ti\n0.432793 0.726160 0.782894 Ti\n0.399539 0.327419 0.061162 Ti\n0.091789 0.204959 0.669518 Ti\n0.828226 0.437172 0.958735 Ti\n0.268944 0.579996 0.043158 Ti\n0.012351 0.835446 0.386154 Ti\n0.676596 0.663980 0.786595 Ti\n0.021332 0.357325 0.366330 Ti\n0.550089 0.079376 0.759138 Ti\n0.663521 0.893901 0.176532 Ti\n0.049949 0.945693 0.621813 Ti\n0.853327 0.034126 0.297412 Ti\n0.352023 0.973561 0.885616 Ti\n0.615691 0.638360 0.558536 Ti\n0.901728 0.232622 0.538952 Ti\n0.308275 0.059159 0.437421 Ti\n0.170347 0.866331 0.031925 Ti\n0.167351 0.449785 0.787908 Ti\n0.345260 0.965679 0.220259 Ti\n0.543275 0.543949 0.957216 Ti\n0.099493 0.058067 0.865341 Ti\n0.531661 0.442424 0.736011 Ti\n0.491716 0.713427 0.282587 Ti\n0.218095 0.243481 0.246417 Ti\n0.560012 0.956812 0.374127 Ti\n0.715640 0.169340 0.139716 Ti\n0.122770 0.686716 0.627243 Ti\n0.184744 0.788059 0.828137 Ti\n0.176460 0.579348 0.416487 Ti\n0.431082 0.788110 0.033040 Ti\n0.663600 0.902102 0.929657 Ti\n0.675160 0.244643 0.617669 Ti\n0.636761 0.247595 0.916796 Ti\n0.067514 0.041382 0.178871 Ti\n0.344632 0.480163 0.272131 Ti\n0.245622 0.305192 0.463757 Ti\n0.513470 0.065184 0.034657 Ti\n0.897233 0.162821 0.980960 Ti\n0.786269 0.002415 0.517412 Ti\n0.063605 0.098023 0.415853 Ti\n0.514762 0.415546 0.469439 Ti\n0.249331 0.120470 0.038353 Ti\n0.495126 0.195353 0.262079 Ti\n0.693189 0.506417 0.297048 Ti\n0.522208 0.129342 0.511430 Ti\n0.027986 0.615577 0.979634 Ti\n0.926288 0.839264 0.913214 Ti\n0.868089 0.732845 0.573922 Ti\n0.114165 0.353590 0.040140 Ti\n0.958860 0.814063 0.151280 Ti\n0.229880 0.737627 0.237534 Ti\n-0.000234 0.954508 0.022740 O\n0.262388 0.411622 0.140868 O\n0.559856 0.242780 0.087829 O\n0.782972 0.835470 0.051274 O\n0.765328 0.482672 0.802132 O\n0.702265 0.333316 0.240448 O\n0.118955 0.696606 0.110683 O\n0.380694 0.643968 0.166488 O\n0.658167 0.074139 0.274143 O\n0.366232 0.103997 0.760063 O\n0.497311 0.377984 0.908906 O\n0.635125 0.440655 0.601800 O\n0.194327 0.045784 0.303555 O\n0.081981 0.175904 0.999113 O\n0.330241 0.472496 0.445563 O\n0.398606 0.798327 0.625728 O\n0.713355 0.085777 0.993605 O\n0.949657 0.165967 0.812723 O\n0.582799 0.737621 0.918059 O\n0.348291 0.405187 0.743129 O\n0.055330 0.350219 0.200421 O\n0.020096 0.709318 0.819984 O\n0.176977 0.249895 0.801451 O\n0.875770 0.902349 0.641089 O\n0.694727 0.524121 0.039402 O\n0.183505 0.775545 0.388007 O\n0.515235 0.506797 0.314824 O\n0.364979 0.150790 0.158149 O\n0.900152 0.142983 0.150360 O\n0.253466 0.637103 0.738206 O\n0.385433 0.638004 0.932928 O\n0.668119 0.693280 0.228501 O\n0.710078 0.182543 0.779966 O\n0.654100 0.037028 0.629074 O\n",
"nsites": 102,
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"elements": [
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"density": 4.546802210204648,
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"volume": 1387.4104664459505,
"volume_molar": 8.191354040034089,
"formula_full": "Ti68 O34",
"formula_reduced": "Ti2O",
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"energy": -880.11900105,
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},
{
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{
"id": "mp-558350",
"created_at": "2022-09-04T14:42:39.064186Z",
"structure_string": "Zn16 Te8 Br16 O24\n1.0\n7.830681 0.000000 0.000000\n0.000000 10.749647 0.000000\n0.000000 0.000000 16.485903\nZn Te Br O\n16 8 16 24\ndirect\n0.399762 0.235420 0.977961 Zn\n0.342425 0.989570 0.393169 Zn\n0.657575 0.489570 0.893169 Zn\n0.657575 0.010430 0.606831 Zn\n0.600238 0.764580 0.022039 Zn\n0.399762 0.264580 0.522039 Zn\n0.842425 0.510430 0.393169 Zn\n0.600238 0.735420 0.477961 Zn\n0.842425 0.989570 0.106831 Zn\n0.157575 0.010430 0.893169 Zn\n0.342425 0.510430 0.106831 Zn\n0.100238 0.764580 0.477961 Zn\n0.899762 0.235420 0.522039 Zn\n0.157575 0.489570 0.606831 Zn\n0.100238 0.735420 0.022039 Zn\n0.899762 0.264580 0.977961 Zn\n0.788527 0.969353 0.407426 Te\n0.288527 0.530647 0.407426 Te\n0.711473 0.469353 0.592574 Te\n0.211473 0.469353 0.907426 Te\n0.288527 0.969353 0.092574 Te\n0.788527 0.530647 0.092574 Te\n0.211473 0.030647 0.592574 Te\n0.711473 0.030647 0.907426 Te\n0.342789 0.415587 0.709878 Br\n0.936159 0.294521 0.374373 Br\n0.157211 0.584413 0.209878 Br\n0.563841 0.705479 0.874373 Br\n0.157211 0.915587 0.290122 Br\n0.436159 0.294521 0.125627 Br\n0.063841 0.705479 0.625627 Br\n0.657211 0.584413 0.290122 Br\n0.936159 0.205479 0.125627 Br\n0.657211 0.915587 0.209878 Br\n0.342789 0.084413 0.790122 Br\n0.842789 0.415587 0.790122 Br\n0.436159 0.205479 0.374373 Br\n0.842789 0.084413 0.709878 Br\n0.063841 0.794521 0.874373 Br\n0.563841 0.794521 0.625627 Br\n0.856190 0.811943 0.448401 O\n0.356190 0.688057 0.448401 O\n0.643810 0.188057 0.948401 O\n0.697873 0.558494 0.490543 O\n0.197873 0.941506 0.490543 O\n0.438197 0.092386 0.578909 O\n0.197873 0.558494 0.009457 O\n0.356190 0.811943 0.051599 O\n0.561803 0.907614 0.421091 O\n0.143810 0.188057 0.551599 O\n0.697873 0.941506 0.009457 O\n0.643810 0.311943 0.551599 O\n0.302127 0.058494 0.990543 O\n0.938197 0.407614 0.578909 O\n0.561803 0.592386 0.078909 O\n0.061803 0.907614 0.078909 O\n0.802127 0.058494 0.509457 O\n0.302127 0.441506 0.509457 O\n0.061803 0.592386 0.421091 O\n0.143810 0.311943 0.948401 O\n0.856190 0.688057 0.051599 O\n0.802127 0.441506 0.990543 O\n0.438197 0.407614 0.921091 O\n0.938197 0.092386 0.921091 O\n",
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{
"id": "mp-23574",
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"structure_string": "Sb4 P4 Cl32 O4\n1.0\n8.553649 0.000000 0.000000\n0.000000 9.348712 0.000000\n0.000000 0.000000 17.355109\nSb P Cl O\n4 4 32 4\ndirect\n0.250000 0.421516 0.354001 Sb\n0.750000 0.578484 0.645999 Sb\n0.750000 0.921516 0.145999 Sb\n0.250000 0.078484 0.854001 Sb\n0.250000 0.717293 0.923797 P\n0.750000 0.282707 0.076203 P\n0.750000 0.217293 0.576203 P\n0.250000 0.782707 0.423797 P\n0.564726 0.136232 0.628912 Cl\n0.935274 0.363768 0.128912 Cl\n0.435274 0.636232 0.871088 Cl\n0.064726 0.863768 0.371088 Cl\n0.250000 0.922792 0.743978 Cl\n0.750000 0.077208 0.256022 Cl\n0.750000 0.422792 0.756022 Cl\n0.250000 0.577208 0.243978 Cl\n0.250000 0.198914 0.974591 Cl\n0.750000 0.801086 0.025409 Cl\n0.750000 0.698914 0.525409 Cl\n0.250000 0.301086 0.474591 Cl\n0.250000 0.287814 0.778139 Cl\n0.750000 0.712186 0.221861 Cl\n0.750000 0.787814 0.721861 Cl\n0.250000 0.212186 0.278139 Cl\n0.973955 0.056884 0.860684 Cl\n0.473955 0.943116 0.139316 Cl\n0.026045 0.556884 0.639316 Cl\n0.526045 0.443116 0.360684 Cl\n0.026045 0.943116 0.139316 Cl\n0.526045 0.056884 0.860684 Cl\n0.973955 0.443116 0.360684 Cl\n0.473955 0.556884 0.639316 Cl\n0.250000 0.863253 0.529537 Cl\n0.750000 0.136747 0.470463 Cl\n0.750000 0.363253 0.970463 Cl\n0.250000 0.636747 0.029537 Cl\n0.064726 0.636232 0.871088 Cl\n0.564726 0.363768 0.128912 Cl\n0.935274 0.136232 0.628912 Cl\n0.435274 0.863768 0.371088 Cl\n0.250000 0.877344 0.927527 O\n0.250000 0.622656 0.427527 O\n0.750000 0.377344 0.572473 O\n0.750000 0.122656 0.072473 O\n",
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{
"id": "mp-28089",
"created_at": "2022-09-04T14:45:18.636969Z",
"structure_string": "P16 Se12 I8\n1.0\n-6.410030 6.410030 8.444416\n6.410030 -6.410030 8.444416\n6.410030 6.410030 -8.444416\nP Se I\n16 12 8\ndirect\n0.773924 0.908537 0.129116 P\n0.985697 0.957034 0.223143 P\n0.733892 0.762555 0.776857 P\n0.512555 0.983892 0.276857 P\n0.237445 0.014303 0.971337 P\n0.042966 0.266108 0.028663 P\n0.016108 0.292966 0.528663 P\n0.764303 0.487445 0.471337 P\n0.707034 0.235697 0.723143 P\n0.779421 0.644808 0.870884 P\n0.658537 0.023924 0.629116 P\n0.091463 0.220579 0.865388 P\n0.394808 0.029421 0.370884 P\n0.355192 0.226076 0.134612 P\n0.976076 0.605192 0.634612 P\n0.970579 0.341463 0.365388 P\n0.437833 0.937833 0.500000 Se\n0.741572 0.949564 0.956284 Se\n0.312167 0.312167 0.000000 Se\n0.699564 0.991572 0.456284 Se\n0.050436 0.006720 0.792007 Se\n0.214712 0.258428 0.207993 Se\n0.008428 0.464712 0.707993 Se\n0.756720 0.300436 0.292007 Se\n0.535288 0.243280 0.543716 Se\n0.687833 0.687833 0.000000 Se\n0.062167 0.562167 0.500000 Se\n0.993280 0.785288 0.043716 Se\n0.657321 0.296464 0.913108 I\n0.703536 0.616644 0.360857 I\n0.255788 0.342679 0.639143 I\n0.092679 0.505788 0.139143 I\n0.366644 0.953536 0.860857 I\n0.383356 0.744212 0.086892 I\n0.494212 0.633356 0.586892 I\n0.046464 0.907321 0.413108 I\n",
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}
]
}