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{
"id": "mp-1234556",
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"structure_string": "Y14 Mg1 Re2 O28\n1.0\n7.615659 0.000010 0.000103\n7.615680 13.141409 -0.070045\n7.615757 8.727863 6.194161\nY Mg Re O\n14 1 2 28\ndirect\n0.009513 0.994988 0.995473 Y\n0.959289 0.495304 0.045589 Y\n0.499900 0.989302 0.010744 Y\n0.514986 0.244986 0.982731 Y\n0.501982 0.499892 0.998142 Y\n0.493274 0.232797 0.502565 Y\n0.029499 0.244879 0.982842 Y\n0.503208 0.748946 0.014528 Y\n0.012081 0.004562 0.483192 Y\n0.519142 0.772960 0.489365 Y\n0.969797 0.748893 0.014690 Y\n0.036068 0.232721 0.502663 Y\n0.007581 0.497693 0.495205 Y\n0.956041 0.772959 0.489354 Y\n0.218089 0.524187 0.757563 Mg\n0.505061 0.491592 0.503303 Re\n0.498715 0.000732 0.500539 Re\n0.151019 0.249122 0.099814 O\n0.127521 0.507289 0.134732 O\n0.138091 0.252778 0.609140 O\n0.418124 0.230104 0.351792 O\n0.138251 0.735121 0.126697 O\n0.588643 0.507335 0.134575 O\n0.131811 0.988730 0.137994 O\n0.411174 0.010669 0.853998 O\n0.201791 0.551367 0.579334 O\n0.398267 0.446863 0.453352 O\n0.591969 0.719977 0.187987 O\n0.867084 0.225859 0.407123 O\n0.155872 0.779845 0.564187 O\n0.422142 0.263408 0.814366 O\n0.801113 0.446842 0.453448 O\n0.536238 0.551286 0.579610 O\n0.614508 0.988792 0.137997 O\n0.859445 0.010633 0.854095 O\n0.381309 0.497480 0.873702 O\n0.200567 0.949491 0.664491 O\n0.426828 0.051937 0.331854 O\n0.867306 0.281844 0.850825 O\n0.869400 0.725917 0.404578 O\n0.582906 0.772022 0.645026 O\n0.805619 0.051893 0.331814 O\n0.571977 0.949587 0.664232 O\n0.876246 0.497412 0.873585 O\n0.871623 0.767335 0.861163 O\n",
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{
"id": "mp-1221834",
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"structure_string": "Mn1 Cr3 Te4\n1.0\n2.072080 7.066065 0.000000\n-2.072080 7.066065 0.000000\n0.000000 3.619368 6.179136\nMn Cr Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Cr\n0.245655 0.245655 0.752323 Cr\n0.754345 0.754345 0.247677 Cr\n0.872690 0.872690 0.791384 Te\n0.374462 0.374462 0.293873 Te\n0.625538 0.625538 0.706127 Te\n0.127310 0.127310 0.208616 Te\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cr-Mn-Te",
"density": 6.6197104726602705,
"density_atomic": 0.04421280719542577,
"volume": 180.94304586087614,
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"formula_full": "Mn1 Cr3 Te4",
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{
"id": "mp-557908",
"created_at": "2022-09-04T14:40:21.844883Z",
"structure_string": "As2 H10 C2 O2 F12\n1.0\n7.184076 0.000000 0.000000\n0.000000 5.027073 0.000000\n0.000000 1.185342 8.706218\nAs H C O F\n2 10 2 2 12\ndirect\n0.250000 0.065796 0.702418 As\n0.750000 0.934204 0.297582 As\n0.624726 0.436188 0.905783 H\n0.633822 0.389053 0.644069 H\n0.866178 0.389053 0.644069 H\n0.133822 0.610947 0.355931 H\n0.250000 0.866181 0.122276 H\n0.366178 0.610947 0.355931 H\n0.875274 0.436188 0.905783 H\n0.124726 0.563812 0.094217 H\n0.750000 0.133819 0.877724 H\n0.375274 0.563812 0.094217 H\n0.250000 0.646584 0.139912 C\n0.750000 0.353416 0.860088 C\n0.750000 0.450254 0.693201 O\n0.250000 0.549746 0.306799 O\n0.250000 0.915159 0.533096 F\n0.427895 0.849965 0.782398 F\n0.250000 0.232768 0.866623 F\n0.927895 0.150035 0.217602 F\n0.577840 0.698008 0.384441 F\n0.750000 0.084841 0.466904 F\n0.422160 0.301992 0.615559 F\n0.750000 0.767232 0.133377 F\n0.572105 0.150035 0.217602 F\n0.077840 0.301992 0.615559 F\n0.072105 0.849965 0.782398 F\n0.922160 0.698008 0.384441 F\n",
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"volume": 314.4239703486436,
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"formula_full": "As2 H10 C2 O2 F12",
"formula_reduced": "AsH5COF6",
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"energy": -139.65849124000002,
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},
{
"id": "mp-983154",
"created_at": "2022-09-04T14:40:21.880516Z",
"structure_string": "Pm2 Zn1 Pt1\n1.0\n0.000000 3.621501 3.621501\n3.621501 0.000000 3.621501\n3.621501 3.621501 0.000000\nPm Zn Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Pm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pt\n",
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],
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"density": 9.622880094865309,
"density_atomic": 0.0421079566627786,
"volume": 94.99392316834522,
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"formula_full": "Pm2 Zn1 Pt1",
"formula_reduced": "Pm2ZnPt",
"formula_anonymous": "ABC2",
"energy": -19.58538725,
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"updated_at": "2021-11-28T01:34:51.290000Z",
"spacegroup": 225
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{
"id": "mp-1382022",
"created_at": "2022-09-04T14:40:21.723817Z",
"structure_string": "K2 Gd2 Mo4 O16\n1.0\n5.371299 0.000000 0.000000\n2.686550 6.512010 0.000000\n2.468654 1.897214 10.388559\nK Gd Mo O\n2 2 4 16\ndirect\n0.809932 0.695279 0.556858 K\n0.190068 0.304721 0.443142 K\n0.693479 0.814958 0.938182 Gd\n0.306521 0.185042 0.061818 Gd\n0.043381 0.428624 0.830308 Mo\n0.956619 0.571376 0.169692 Mo\n0.424744 0.060769 0.717257 Mo\n0.575256 0.939231 0.282743 Mo\n0.235848 0.413503 0.680972 O\n0.764152 0.586497 0.319028 O\n0.726537 0.187328 0.915493 O\n0.273463 0.812672 0.084507 O\n0.287344 0.483584 0.931754 O\n0.712656 0.516416 0.068246 O\n0.943116 0.641712 0.808282 O\n0.056884 0.358288 0.191718 O\n0.574417 0.875241 0.750500 O\n0.425583 0.124759 0.249500 O\n0.174122 0.058749 0.871585 O\n0.825878 0.941251 0.128415 O\n0.708982 0.304741 0.653932 O\n0.291018 0.695259 0.346068 O\n0.252480 0.999522 0.596976 O\n0.747520 0.000478 0.403024 O\n",
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{
"id": "mp-13765",
"created_at": "2022-09-04T14:40:21.728751Z",
"structure_string": "Ce3 Co11 B4\n1.0\n5.020510 0.000000 0.000000\n-2.510255 4.347890 0.000000\n0.000000 0.000000 9.865520\nCe Co B\n3 11 4\ndirect\n0.000000 0.000000 0.660934 Ce\n0.000000 0.000000 0.339066 Ce\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.204922 Co\n0.500000 0.500000 0.204922 Co\n0.000000 0.500000 0.204922 Co\n0.500000 0.000000 0.795078 Co\n0.500000 0.500000 0.795078 Co\n0.000000 0.500000 0.795078 Co\n0.333333 0.666667 0.000000 Co\n0.333333 0.666667 0.649517 B\n0.666667 0.333333 0.649517 B\n0.666667 0.333333 0.350483 B\n0.333333 0.666667 0.350483 B\n",
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{
"id": "mp-6413",
"created_at": "2022-09-04T14:40:21.776415Z",
"structure_string": "Li2 Dy2 P8 O24\n1.0\n3.565993 8.224913 0.000000\n-3.565993 8.224913 0.000000\n0.000000 5.713655 7.848274\nLi Dy P O\n2 2 8 24\ndirect\n0.793185 0.206815 0.250000 Li\n0.206815 0.793185 0.750000 Li\n0.296058 0.703942 0.250000 Dy\n0.703942 0.296058 0.750000 Dy\n0.795153 0.495404 0.306606 P\n0.504596 0.204847 0.193394 P\n0.204847 0.504596 0.693394 P\n0.495404 0.795153 0.806606 P\n0.188137 0.085863 0.383662 P\n0.914137 0.811863 0.116338 P\n0.811863 0.914137 0.616338 P\n0.085863 0.188137 0.883662 P\n0.741261 0.508036 0.476844 O\n0.491964 0.258739 0.023156 O\n0.258739 0.491964 0.523156 O\n0.508036 0.741261 0.976844 O\n0.654235 0.489667 0.272984 O\n0.510333 0.345765 0.227016 O\n0.345765 0.510333 0.727016 O\n0.489667 0.654235 0.772984 O\n0.899763 0.323061 0.815724 O\n0.676939 0.100237 0.684276 O\n0.100237 0.676939 0.184276 O\n0.323061 0.899763 0.315724 O\n0.062206 0.071164 0.071050 O\n0.928836 0.937794 0.428950 O\n0.937794 0.928836 0.928950 O\n0.071164 0.062206 0.571050 O\n0.166238 0.324463 0.846884 O\n0.675537 0.833762 0.653116 O\n0.833762 0.675537 0.153116 O\n0.324463 0.166238 0.346884 O\n0.282633 0.028097 0.767612 O\n0.971903 0.717367 0.732388 O\n0.717367 0.971903 0.232388 O\n0.028097 0.282633 0.267612 O\n",
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"spacegroup": 15
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{
"id": "mp-584129",
"created_at": "2022-09-04T14:40:21.783982Z",
"structure_string": "Li8 Ni4 P8 O28\n1.0\n0.006789 -6.314644 5.569924\n4.982197 6.327510 2.789379\n-5.079984 6.341606 2.566152\nLi Ni P O\n8 4 8 28\ndirect\n0.002508 0.436494 0.725926 Li\n0.002508 0.936494 0.225926 Li\n0.997492 0.063506 0.774074 Li\n0.997492 0.563506 0.274074 Li\n0.566291 0.808689 0.571269 Li\n0.566291 0.308689 0.071269 Li\n0.433709 0.691311 0.928731 Li\n0.433709 0.191311 0.428731 Li\n0.720733 0.089586 0.862283 Ni\n0.279267 0.410414 0.637717 Ni\n0.720733 0.589586 0.362283 Ni\n0.279267 0.910414 0.137717 Ni\n0.823510 0.237081 0.464918 P\n0.823510 0.737081 0.964918 P\n0.176490 0.262919 0.035082 P\n0.176490 0.762919 0.535082 P\n0.307591 0.523057 0.240688 P\n0.307591 0.023057 0.740688 P\n0.692409 0.976943 0.259312 P\n0.692409 0.476943 0.759312 P\n0.846390 0.102992 0.380571 O\n0.846390 0.602992 0.880571 O\n0.153610 0.397008 0.119429 O\n0.153610 0.897008 0.619429 O\n0.335685 0.698199 0.119688 O\n0.335685 0.198199 0.619688 O\n0.664315 0.801801 0.380312 O\n0.664315 0.301801 0.880312 O\n0.223461 0.512408 0.376555 O\n0.223461 0.012408 0.876555 O\n0.776539 0.987592 0.123445 O\n0.776539 0.487592 0.623445 O\n0.532959 0.052417 0.189407 O\n0.532959 0.552417 0.689407 O\n0.467041 0.447583 0.310593 O\n0.467041 0.947583 0.810593 O\n0.781885 0.888123 0.816122 O\n0.781885 0.388123 0.316122 O\n0.218115 0.611877 0.683878 O\n0.218115 0.111877 0.183878 O\n0.007183 0.784119 0.091980 O\n0.007183 0.284119 0.591980 O\n0.992817 0.715881 0.408020 O\n0.992817 0.215881 0.908020 O\n0.679231 0.648380 0.055767 O\n0.679231 0.148380 0.555767 O\n0.320769 0.851620 0.444233 O\n0.320769 0.351620 0.944233 O\n",
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{
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"structure_string": "Mg10 Mn20 O40\n1.0\n2.933214 23.237775 0.000000\n-2.933214 23.237775 0.000000\n0.000000 0.706952 5.827946\nMg Mn O\n10 20 40\ndirect\n0.400953 0.400953 0.599988 Mg\n0.451662 0.451662 0.047961 Mg\n0.850280 0.850280 0.649067 Mg\n0.198367 0.198367 0.801608 Mg\n0.248786 0.248786 0.249991 Mg\n0.646297 0.646297 0.843240 Mg\n0.799581 0.799581 0.200819 Mg\n0.049634 0.049634 0.440244 Mg\n0.123643 0.123643 0.124314 Mg\n0.526367 0.526367 0.723803 Mg\n0.726271 0.228867 0.526494 Mn\n0.125696 0.625578 0.124648 Mn\n0.228867 0.726271 0.526494 Mn\n0.926358 0.926358 0.325397 Mn\n0.926204 0.926204 0.824953 Mn\n0.524397 0.024052 0.725164 Mn\n0.625578 0.125696 0.124648 Mn\n0.324940 0.324940 0.924997 Mn\n0.324935 0.324935 0.424908 Mn\n0.922434 0.422737 0.322403 Mn\n0.024052 0.524397 0.725164 Mn\n0.600535 0.600535 0.410773 Mn\n0.723248 0.723248 0.524996 Mn\n0.723512 0.723512 0.024508 Mn\n0.323984 0.826345 0.924936 Mn\n0.422737 0.922434 0.322403 Mn\n0.003397 0.003397 0.006554 Mn\n0.123349 0.123349 0.622730 Mn\n0.826345 0.323984 0.924936 Mn\n0.527283 0.527283 0.232494 Mn\n0.477656 0.477656 0.297088 O\n0.479446 0.479446 0.755090 O\n0.150474 0.700762 0.075256 O\n0.152402 0.701695 0.575331 O\n0.876268 0.876268 0.899195 O\n0.876272 0.876272 0.348765 O\n0.976337 0.976337 0.751807 O\n0.975090 0.975090 0.305490 O\n0.549058 0.099443 0.675567 O\n0.550340 0.100802 0.174396 O\n0.700762 0.150474 0.075256 O\n0.701695 0.152402 0.575331 O\n0.274803 0.274803 0.499845 O\n0.274802 0.274802 0.949401 O\n0.374951 0.374951 0.350013 O\n0.374945 0.374945 0.900539 O\n0.947731 0.497396 0.274592 O\n0.948926 0.499521 0.774515 O\n0.099443 0.549058 0.675567 O\n0.100802 0.550340 0.174396 O\n0.672703 0.672703 0.095504 O\n0.673972 0.673972 0.547855 O\n0.773529 0.773529 0.950843 O\n0.773519 0.773519 0.500981 O\n0.352738 0.884086 0.868224 O\n0.350976 0.900187 0.382847 O\n0.497396 0.947731 0.274592 O\n0.499521 0.948926 0.774515 O\n0.073887 0.073887 0.704329 O\n0.077179 0.077179 0.145666 O\n0.172779 0.172779 0.550273 O\n0.170851 0.170851 0.095414 O\n0.754352 0.296181 0.467290 O\n0.763639 0.301217 0.982747 O\n0.884086 0.352738 0.868224 O\n0.900187 0.350976 0.382847 O\n0.576467 0.576467 0.141232 O\n0.572852 0.572852 0.708775 O\n0.296181 0.754352 0.467290 O\n0.301217 0.763639 0.982747 O\n",
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"spacegroup": 8
},
{
"id": "mp-762018",
"created_at": "2022-09-04T14:40:21.889829Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n0.000002 4.828655 0.000000\n-0.000002 -0.000001 7.446003\n4.828655 0.000001 -0.000002\nLi Co P O\n2 2 2 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.250000 0.000000 P\n0.000000 0.749999 0.500000 P\n0.309369 0.131378 0.185047 O\n0.809372 0.631381 0.685042 O\n0.314959 0.368619 0.809372 O\n0.814953 0.868622 0.309368 O\n0.690631 0.131378 0.814954 O\n0.190628 0.631381 0.314959 O\n0.685041 0.368619 0.190628 O\n0.185047 0.868623 0.690631 O\n",
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},
{
"id": "mp-560233",
"created_at": "2022-09-04T14:40:21.736730Z",
"structure_string": "Sr10 B6 Br2 O18\n1.0\n5.067377 -7.209146 0.000000\n5.067377 7.209146 0.000000\n0.000000 0.000000 7.614038\nSr B Br O\n10 6 2 18\ndirect\n0.757092 0.757092 0.500000 Sr\n0.005796 0.266467 0.427271 Sr\n0.636189 0.363811 0.250000 Sr\n0.363376 0.636624 0.250000 Sr\n0.994204 0.733533 0.927271 Sr\n0.242908 0.242908 0.000000 Sr\n0.733533 0.994204 0.072729 Sr\n0.363811 0.636189 0.750000 Sr\n0.636624 0.363376 0.750000 Sr\n0.266467 0.005796 0.572729 Sr\n0.372545 0.372545 0.500000 B\n0.627455 0.627455 0.000000 B\n0.013861 0.589952 0.527523 B\n0.589952 0.013861 0.472477 B\n0.986139 0.410048 0.027523 B\n0.410048 0.986139 0.972477 B\n0.941309 0.058691 0.750000 Br\n0.058691 0.941309 0.250000 Br\n0.488888 0.488888 0.000000 O\n0.694918 0.689497 0.839453 O\n0.521641 0.139205 0.013190 O\n0.478359 0.860795 0.513190 O\n0.860795 0.478359 0.486810 O\n0.555814 0.152895 0.513151 O\n0.152895 0.555814 0.486849 O\n0.444186 0.847105 0.013151 O\n0.511112 0.511112 0.500000 O\n0.267813 0.974228 0.886625 O\n0.847105 0.444186 0.986849 O\n0.305082 0.310503 0.339453 O\n0.974228 0.267813 0.113375 O\n0.310503 0.305082 0.660547 O\n0.025772 0.732187 0.613375 O\n0.139205 0.521641 0.986810 O\n0.689497 0.694918 0.160547 O\n0.732187 0.025772 0.386625 O\n",
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{
"id": "mp-1202258",
"created_at": "2022-09-04T14:40:21.741932Z",
"structure_string": "Nd4 Nb4 S14 O60\n1.0\n13.018713 0.000000 0.000000\n0.000000 13.018713 0.000000\n0.000000 0.000000 7.277835\nNd Nb S O\n4 4 14 60\ndirect\n0.199299 0.300701 0.407594 Nd\n0.300701 0.800701 0.592406 Nd\n0.800701 0.699299 0.407594 Nd\n0.699299 0.199299 0.592406 Nd\n0.362848 0.137152 0.016202 Nb\n0.137152 0.637152 0.983798 Nb\n0.637152 0.862848 0.016202 Nb\n0.862848 0.362848 0.983798 Nb\n0.500000 0.000000 0.655528 S\n0.000000 0.500000 0.344472 S\n0.622894 0.122894 0.102158 S\n0.877106 0.622894 0.897842 S\n0.377106 0.877106 0.102158 S\n0.122894 0.377106 0.897842 S\n0.435341 0.324503 0.709653 S\n0.064659 0.824503 0.290347 S\n0.564659 0.675497 0.709653 S\n0.935341 0.175497 0.290347 S\n0.324503 0.564659 0.290347 S\n0.175497 0.064659 0.709653 S\n0.675497 0.435341 0.290347 S\n0.824503 0.935341 0.709653 S\n0.302387 0.197613 0.206553 O\n0.197613 0.697613 0.793447 O\n0.697613 0.802387 0.206553 O\n0.802387 0.302387 0.793447 O\n0.433548 0.933548 0.542708 O\n0.066452 0.433548 0.457292 O\n0.566452 0.066452 0.542708 O\n0.933548 0.566452 0.457292 O\n0.434329 0.065671 0.775269 O\n0.065671 0.565671 0.224731 O\n0.565671 0.934329 0.775269 O\n0.934329 0.434329 0.224731 O\n0.656636 0.156636 0.921599 O\n0.843364 0.656636 0.078401 O\n0.343364 0.843364 0.921599 O\n0.156636 0.343364 0.078401 O\n0.674160 0.174160 0.254503 O\n0.825840 0.674160 0.745497 O\n0.325840 0.825840 0.254503 O\n0.174160 0.325840 0.745497 O\n0.508983 0.140721 0.123474 O\n0.991017 0.640721 0.876526 O\n0.491017 0.859279 0.123474 O\n0.008983 0.359279 0.876526 O\n0.140721 0.491017 0.876526 O\n0.359279 0.991017 0.123474 O\n0.859279 0.508983 0.876526 O\n0.640721 0.008983 0.123474 O\n0.370577 0.292377 0.553838 O\n0.129423 0.792377 0.446162 O\n0.629423 0.707623 0.553838 O\n0.870577 0.207623 0.446162 O\n0.292377 0.629423 0.446162 O\n0.207623 0.129423 0.553838 O\n0.707623 0.370577 0.446162 O\n0.792377 0.870577 0.553838 O\n0.542664 0.293530 0.683407 O\n0.957336 0.793530 0.316593 O\n0.457336 0.706470 0.683407 O\n0.042664 0.206470 0.316593 O\n0.293530 0.457336 0.316593 O\n0.206470 0.957336 0.683407 O\n0.706470 0.542664 0.316593 O\n0.793530 0.042664 0.683407 O\n0.424294 0.434685 0.744161 O\n0.075706 0.934685 0.255839 O\n0.575706 0.565315 0.744161 O\n0.924294 0.065315 0.255839 O\n0.434685 0.575706 0.255839 O\n0.065315 0.075706 0.744161 O\n0.565315 0.424294 0.255839 O\n0.934685 0.924294 0.744161 O\n0.394230 0.267936 0.880935 O\n0.105770 0.767936 0.119065 O\n0.605770 0.732064 0.880935 O\n0.894230 0.232064 0.119065 O\n0.267936 0.605770 0.119065 O\n0.232064 0.105770 0.880935 O\n0.732064 0.394230 0.119065 O\n0.767936 0.894230 0.880935 O\n",
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}
]
}