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{
"id": "oqmd-111751",
"created_at": "2022-09-04T15:18:05.346427Z",
"updated_at": "2022-09-04T15:18:05.346450Z",
"structure_string": "K6 H4 Os2 C8 S2 N8 O6\n1.0\n7.914680 0.008166 0.013756\n1.294770 8.671373 0.053937\n3.929148 0.386036 7.991015\nC H K N O Os S\n8 4 6 8 6 2 2\ndirect\n0.413346 0.133086 0.263145 C\n0.705477 0.280708 0.265302 C\n0.420217 0.784481 0.385192 C\n0.687686 0.653455 0.497270 C\n0.312314 0.346545 0.502729 C\n0.579783 0.215517 0.614808 C\n0.294521 0.719291 0.734699 C\n0.586654 0.866913 0.736854 C\n0.258667 0.541068 0.236641 H\n0.045723 0.542844 0.277289 H\n0.954277 0.457155 0.722711 H\n0.741333 0.458931 0.763360 H\n0.766471 0.649896 0.063185 K\n0.228385 0.876163 0.071333 K\n0.992623 0.248281 0.419666 K\n0.007377 0.751718 0.580335 K\n0.771614 0.123836 0.928668 K\n0.233529 0.350104 0.936815 K\n0.356624 0.136760 0.160326 N\n0.837153 0.337959 0.161431 N\n0.381496 0.738400 0.286127 N\n0.814503 0.554214 0.451782 N\n0.185497 0.445784 0.548219 N\n0.618505 0.261599 0.713872 N\n0.162849 0.662042 0.838569 N\n0.643376 0.863241 0.839675 N\n0.815901 0.910386 0.168080 O\n0.175551 0.528976 0.184853 O\n0.921685 0.965810 0.373113 O\n0.078314 0.034191 0.626886 O\n0.824451 0.471025 0.815146 O\n0.184100 0.089615 0.831920 O\n0.503306 0.159874 0.440463 Os\n0.496694 0.840127 0.559538 Os\n0.752107 0.957346 0.342672 S\n0.247893 0.042653 0.657328 S\n",
"nsites": 36,
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"elements": [
"C",
"H",
"K",
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"O",
"Os",
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"density": 2.993352757345537,
"density_atomic": 0.0657266386010312,
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"volume_molar": 9.16240490641114,
"formula_full": "K6 H4 Os2 C8 S2 N8 O6",
"formula_reduced": "K3H2OsC4SN4O3",
"formula_anonymous": "ABC2D3E3F4G4",
"formation_energy": -0.758765812077333,
"spacegroup": 2
},
{
"id": "oqmd-32584",
"created_at": "2022-09-04T15:20:54.036704Z",
"updated_at": "2022-09-04T15:20:54.036736Z",
"structure_string": "K2 Na2 H12 Pt2 C8 N8 O6\n1.0\n2.620617 0.000000 -5.669514\n-6.338440 -6.790016 -0.091862\n-6.338440 6.790016 -0.091862\nC H K N Na O Pt\n8 12 2 8 2 6 2\ndirect\n0.460210 0.807603 0.093895 C\n0.150239 0.207904 0.115589 C\n0.032390 0.917086 0.187537 C\n0.650240 0.115590 0.207905 C\n0.357967 0.875910 0.794663 C\n0.960212 0.093896 0.807604 C\n0.857967 0.794663 0.875911 C\n0.532389 0.187536 0.917085 C\n0.656197 0.427513 0.139530 H\n0.702532 0.602160 0.150870 H\n0.037634 0.567293 0.348582 H\n0.883423 0.812276 0.426149 H\n0.156199 0.139531 0.427514 H\n0.195386 0.656091 0.512929 H\n0.537634 0.348583 0.567293 H\n0.880798 0.777253 0.587747 H\n0.202532 0.150871 0.602161 H\n0.695386 0.512930 0.656091 H\n0.380798 0.587746 0.777252 H\n0.383422 0.426148 0.812275 H\n0.516993 0.965536 0.484060 K\n0.016994 0.484060 0.965536 K\n0.440195 0.698770 0.152949 N\n0.245080 0.330445 0.185143 N\n0.048609 0.872371 0.304047 N\n0.745081 0.185144 0.330445 N\n0.279159 0.804917 0.672044 N\n0.940193 0.152948 0.698769 N\n0.779159 0.672044 0.804917 N\n0.548608 0.304046 0.872370 N\n0.492145 0.547697 0.363743 Na\n0.992146 0.363743 0.547697 Na\n0.777221 0.524871 0.184063 O\n0.170023 0.568065 0.436612 O\n0.776903 0.779084 0.488126 O\n0.277222 0.184064 0.524872 O\n0.670024 0.436612 0.568065 O\n0.276902 0.488125 0.779083 O\n0.498497 0.995585 0.001495 Pt\n0.998498 0.001495 0.995586 Pt\n",
"nsites": 40,
"nelements": 7,
"elements": [
"C",
"H",
"K",
"N",
"Na",
"O",
"Pt"
],
"chemical_system": "C-H-K-N-Na-O-Pt",
"density": 2.8073677556298473,
"density_atomic": 0.08142004475233035,
"volume": 491.2795138061521,
"volume_molar": 7.39638596161253,
"formula_full": "K2 Na2 H12 Pt2 C8 N8 O6",
"formula_reduced": "KNaH6PtC4N4O3",
"formula_anonymous": "ABCD3E4F4G6",
"formation_energy": -0.654450399898349,
"spacegroup": 9
},
{
"id": "oqmd-644587",
"created_at": "2022-09-04T15:33:32.898898Z",
"updated_at": "2022-09-04T15:33:32.898930Z",
"structure_string": "K2 Ho2 H16 Ru2 C12 N12 O8\n1.0\n-3.653133 -6.263570 0.000000\n-3.653133 6.263570 0.000000\n0.000000 0.000000 -14.153056\nC H Ho K N O Ru\n12 16 2 2 12 8 2\ndirect\n0.355256 0.644743 0.061243 C\n0.352822 0.255729 0.089487 C\n0.744270 0.647177 0.089487 C\n0.352822 0.255729 0.410513 C\n0.744270 0.647177 0.410513 C\n0.355256 0.644743 0.438758 C\n0.644743 0.355256 0.561242 C\n0.255729 0.352822 0.589487 C\n0.647177 0.744270 0.589487 C\n0.255729 0.352822 0.910514 C\n0.647177 0.744270 0.910514 C\n0.644743 0.355256 0.938757 C\n0.789007 0.210993 0.045269 H\n0.902127 0.097872 0.092855 H\n0.630175 0.035681 0.193136 H\n0.964320 0.369825 0.193136 H\n0.630175 0.035681 0.306864 H\n0.964320 0.369825 0.306864 H\n0.902127 0.097872 0.407146 H\n0.789007 0.210993 0.454731 H\n0.210993 0.789007 0.545269 H\n0.097872 0.902127 0.592854 H\n0.035681 0.630175 0.693136 H\n0.369825 0.964320 0.693136 H\n0.035681 0.630175 0.806864 H\n0.369825 0.964320 0.806864 H\n0.097872 0.902127 0.907145 H\n0.210993 0.789007 0.954731 H\n0.169460 0.830540 0.250000 Ho\n0.830540 0.169460 0.750000 Ho\n0.463077 0.536922 0.250000 K\n0.536922 0.463077 0.750000 K\n0.273784 0.726216 0.102906 N\n0.269684 0.121827 0.146762 N\n0.878174 0.730317 0.146762 N\n0.269684 0.121827 0.353238 N\n0.878174 0.730317 0.353238 N\n0.273784 0.726216 0.397094 N\n0.726216 0.273784 0.602905 N\n0.121827 0.269684 0.646761 N\n0.730317 0.878174 0.646761 N\n0.121827 0.269684 0.853238 N\n0.730317 0.878174 0.853238 N\n0.726216 0.273784 0.897094 N\n0.825649 0.174351 0.106855 O\n0.035385 0.456809 0.250000 O\n0.543190 0.964614 0.250000 O\n0.825649 0.174351 0.393145 O\n0.174351 0.825649 0.606855 O\n0.456809 0.035385 0.750000 O\n0.964614 0.543190 0.750000 O\n0.174351 0.825649 0.893145 O\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 54,
"nelements": 7,
"elements": [
"C",
"H",
"Ho",
"K",
"N",
"O",
"Ru"
],
"chemical_system": "C-H-Ho-K-N-O-Ru",
"density": 2.734348294756803,
"density_atomic": 0.08337313263492888,
"volume": 647.6906683649895,
"volume_molar": 7.223119210800825,
"formula_full": "K2 Ho2 H16 Ru2 C12 N12 O8",
"formula_reduced": "KHoH8RuC6(N3O2)2",
"formula_anonymous": "ABCD4E6F6G8",
"formation_energy": -0.728292740421586,
"spacegroup": 63
},
{
"id": "oqmd-65248",
"created_at": "2022-09-04T15:33:37.195425Z",
"updated_at": "2022-09-04T15:33:37.195450Z",
"structure_string": "Li2 Cu1 P6 H20 C2 N6 O22\n1.0\n9.387179 0.041611 0.017210\n0.882701 9.021330 0.066769\n-2.491912 -2.045420 6.473090\nC Cu H Li N O P\n2 1 20 2 6 22 6\ndirect\n0.951650 0.492861 0.243109 C\n0.048349 0.507140 0.756891 C\n0.499999 0.500000 0.499999 Cu\n0.368588 0.424093 0.070469 H\n0.429555 0.803834 0.073389 H\n0.052808 0.288176 0.135913 H\n0.402993 0.600496 0.161227 H\n0.884408 0.269173 0.182195 H\n0.149085 0.539403 0.199061 H\n0.589757 0.780472 0.224007 H\n0.039759 0.698795 0.271708 H\n0.761355 0.494783 0.323723 H\n0.828830 0.677134 0.355526 H\n0.171170 0.322867 0.644474 H\n0.238645 0.505218 0.676278 H\n0.960241 0.301204 0.728291 H\n0.410243 0.219529 0.775993 H\n0.850916 0.460598 0.800939 H\n0.115592 0.730828 0.817805 H\n0.597006 0.399504 0.838773 H\n0.947192 0.711822 0.864087 H\n0.570445 0.196167 0.926611 H\n0.631411 0.575907 0.929531 H\n0.845029 0.939062 0.173804 Li\n0.154970 0.060939 0.826196 Li\n0.963757 0.339062 0.183258 N\n0.054982 0.582412 0.239545 N\n0.836386 0.559231 0.305983 N\n0.163614 0.440767 0.694017 N\n0.945017 0.417589 0.760455 N\n0.036243 0.660939 0.816742 N\n0.220362 0.200250 0.090051 O\n0.502283 0.724133 0.110963 O\n0.347621 0.516500 0.171652 O\n0.747147 0.136201 0.174672 O\n0.493845 0.118644 0.203521 O\n0.053381 0.952725 0.264166 O\n0.323550 0.024418 0.325061 O\n0.637582 0.378735 0.366695 O\n0.778254 0.883164 0.374407 O\n0.389481 0.310208 0.469676 O\n0.279242 0.833721 0.471186 O\n0.720758 0.166280 0.528813 O\n0.610519 0.689791 0.530324 O\n0.221746 0.116836 0.625593 O\n0.362419 0.621266 0.633305 O\n0.676451 0.975581 0.674939 O\n0.946619 0.047275 0.735834 O\n0.506155 0.881357 0.796479 O\n0.252853 0.863799 0.825328 O\n0.652378 0.483501 0.828348 O\n0.497717 0.275866 0.889037 O\n0.779638 0.799751 0.909949 O\n0.346404 0.178700 0.272865 P\n0.655545 0.205117 0.313353 P\n0.204247 0.992881 0.424252 P\n0.795752 0.007120 0.575747 P\n0.344455 0.794883 0.686647 P\n0.653596 0.821299 0.727136 P\n",
"nsites": 59,
"nelements": 7,
"elements": [
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"Li",
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"O",
"P"
],
"chemical_system": "C-Cu-H-Li-N-O-P",
"density": 2.2464535300783632,
"density_atomic": 0.10735749380853728,
"volume": 549.5657350684933,
"volume_molar": 5.60942748043277,
"formula_full": "Li2 Cu1 P6 H20 C2 N6 O22",
"formula_reduced": "Li2CuP6H20C2(N3O11)2",
"formula_anonymous": "AB2C2D6E6F20G22",
"formation_energy": -1.47006038466989,
"spacegroup": 2
},
{
"id": "oqmd-70513",
"created_at": "2022-09-04T15:33:37.500507Z",
"updated_at": "2022-09-04T15:33:37.500533Z",
"structure_string": "Sb4 P4 C12 S12 N12 Cl12 O4\n1.0\n-6.935927 -6.935927 6.935927\n-6.935927 6.935927 -6.935927\n6.935927 -6.935927 -6.935927\nC Cl N O P S Sb\n12 12 12 4 4 12 4\ndirect\n0.772366 0.483606 0.000000 C\n0.483606 0.772366 0.000000 C\n0.711240 0.227634 0.227634 C\n0.227634 0.711240 0.227634 C\n0.516395 0.516395 0.288760 C\n0.772366 0.000000 0.483606 C\n0.000000 0.772366 0.483606 C\n0.516395 0.288760 0.516395 C\n0.288760 0.516395 0.516395 C\n0.227634 0.227634 0.711240 C\n0.483606 0.000000 0.772366 C\n0.000000 0.483606 0.772366 C\n0.375347 0.178448 0.000000 Cl\n0.178448 0.375347 0.000000 Cl\n0.375347 0.000000 0.178448 Cl\n0.000000 0.375347 0.178448 Cl\n0.821552 0.821552 0.196899 Cl\n0.178448 0.000000 0.375347 Cl\n0.000000 0.178448 0.375347 Cl\n0.803101 0.624653 0.624653 Cl\n0.624653 0.803101 0.624653 Cl\n0.624653 0.624653 0.803101 Cl\n0.821552 0.196899 0.821552 Cl\n0.196899 0.821552 0.821552 Cl\n0.869141 0.558423 0.000000 N\n0.558423 0.869141 0.000000 N\n0.689281 0.130858 0.130858 N\n0.130858 0.689281 0.130858 N\n0.441578 0.441578 0.310718 N\n0.441578 0.310718 0.441578 N\n0.310718 0.441578 0.441578 N\n0.869141 0.000000 0.558423 N\n0.000000 0.869141 0.558423 N\n0.130858 0.130858 0.689281 N\n0.558423 0.000000 0.869141 N\n0.000000 0.558423 0.869141 N\n0.779194 0.000000 0.000000 O\n0.000000 0.779194 0.000000 O\n0.220805 0.220805 0.220805 O\n0.000000 0.000000 0.779194 O\n0.654711 0.000000 0.000000 P\n0.000000 0.654711 0.000000 P\n0.345289 0.345289 0.345289 P\n0.000000 0.000000 0.654711 P\n0.647607 0.388740 0.000000 S\n0.388740 0.647607 0.000000 S\n0.611259 0.611259 0.258867 S\n0.741132 0.352393 0.352393 S\n0.352393 0.741132 0.352393 S\n0.647607 0.000000 0.388740 S\n0.000000 0.647607 0.388740 S\n0.611259 0.258867 0.611259 S\n0.258867 0.611259 0.611259 S\n0.388740 0.000000 0.647607 S\n0.000000 0.388740 0.647607 S\n0.352393 0.352393 0.741132 S\n0.209379 0.000000 0.000000 Sb\n0.000000 0.209379 0.000000 Sb\n0.000000 0.000000 0.209379 Sb\n0.790621 0.790621 0.790621 Sb\n",
"nsites": 60,
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"elements": [
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"O",
"P",
"S",
"Sb"
],
"chemical_system": "C-Cl-N-O-P-S-Sb",
"density": 2.236196796848611,
"density_atomic": 0.044954970634212756,
"volume": 1334.668873175446,
"volume_molar": 13.395939703755205,
"formula_full": "Sb4 P4 C12 S12 N12 Cl12 O4",
"formula_reduced": "SbPC3S3N3Cl3O",
"formula_anonymous": "ABCD3E3F3G3",
"formation_energy": -0.504452283817777,
"spacegroup": 217
},
{
"id": "oqmd-120309",
"created_at": "2022-09-04T15:33:29.455535Z",
"updated_at": "2022-09-04T15:33:29.455569Z",
"structure_string": "Zn2 H24 C4 S4 N8 Cl4 O8\n1.0\n13.945381 0.000000 0.000000\n0.000000 4.706873 0.000000\n0.000000 0.000000 8.676215\nC Cl H N O S Zn\n4 4 24 8 8 4 2\ndirect\n0.360884 0.131098 0.369579 C\n0.639116 0.131098 0.369579 C\n0.139115 0.868902 0.869580 C\n0.860885 0.868902 0.869580 C\n0.500000 0.268507 0.037301 Cl\n0.000000 0.446131 0.076414 Cl\n0.000000 0.731494 0.537300 Cl\n0.500000 0.553869 0.576414 Cl\n0.178984 0.170891 0.175896 H\n0.821016 0.170891 0.175896 H\n0.378482 0.248305 0.264143 H\n0.621518 0.248305 0.264143 H\n0.421740 0.004810 0.411236 H\n0.578260 0.004810 0.411236 H\n0.171252 0.377750 0.441657 H\n0.828749 0.377750 0.441657 H\n0.336538 0.273460 0.461513 H\n0.663461 0.273460 0.461513 H\n0.104918 0.088469 0.480136 H\n0.895082 0.088469 0.480136 H\n0.321016 0.829111 0.675896 H\n0.678984 0.829111 0.675896 H\n0.121518 0.751697 0.764142 H\n0.878482 0.751697 0.764142 H\n0.078260 0.995189 0.911236 H\n0.921740 0.995189 0.911236 H\n0.328749 0.622250 0.941657 H\n0.671251 0.622250 0.941657 H\n0.163461 0.726540 0.961514 H\n0.836539 0.726540 0.961514 H\n0.395082 0.911531 0.980136 H\n0.604919 0.911531 0.980136 H\n0.170307 0.061168 0.277849 N\n0.829693 0.061168 0.277849 N\n0.125712 0.227684 0.394345 N\n0.874288 0.227684 0.394345 N\n0.329693 0.938834 0.777850 N\n0.670308 0.938834 0.777850 N\n0.374287 0.772315 0.894346 N\n0.625713 0.772315 0.894346 N\n0.293694 0.714884 0.196601 O\n0.706306 0.714884 0.196601 O\n0.245372 0.742121 0.472941 O\n0.754628 0.742121 0.472941 O\n0.206306 0.285117 0.696600 O\n0.793694 0.285117 0.696600 O\n0.254628 0.257880 0.972940 O\n0.745372 0.257880 0.972940 O\n0.269304 0.885614 0.329122 S\n0.730696 0.885614 0.329122 S\n0.230696 0.114388 0.829122 S\n0.769304 0.114388 0.829122 S\n0.000000 0.436296 0.330257 Zn\n0.500000 0.563705 0.830257 Zn\n",
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"elements": [
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],
"chemical_system": "C-Cl-H-N-O-S-Zn",
"density": 2.0794587458488807,
"density_atomic": 0.09482013949169052,
"volume": 569.4992676606665,
"volume_molar": 6.3511199121656485,
"formula_full": "Zn2 H24 C4 S4 N8 Cl4 O8",
"formula_reduced": "ZnH12C2S2N4(ClO2)2",
"formula_anonymous": "AB2C2D2E4F4G12",
"formation_energy": -0.593054670939412,
"spacegroup": 31
},
{
"id": "oqmd-93315",
"created_at": "2022-09-04T15:51:34.800434Z",
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{
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"structure_string": "Zn4 P4 H20 C4 N4 Cl4 O12\n1.0\n4.697225 0.000000 -0.001953\n0.000000 15.483528 0.000000\n-2.375263 0.000000 7.712458\nC Cl H N O P Zn\n4 4 20 4 12 4 4\ndirect\n0.906366 0.074108 0.185623 C\n0.093633 0.574108 0.314376 C\n0.906366 0.425892 0.685623 C\n0.093634 0.925892 0.814376 C\n0.443615 0.416561 0.119570 Cl\n0.556387 0.916561 0.380431 Cl\n0.443613 0.083439 0.619570 Cl\n0.556387 0.583439 0.880431 Cl\n0.051207 0.636581 0.078013 H\n0.729840 0.039142 0.090007 H\n0.289866 0.553074 0.119601 H\n0.394378 0.648513 0.217914 H\n0.086192 0.027974 0.242383 H\n0.913808 0.527974 0.257618 H\n0.605624 0.148513 0.282087 H\n0.710134 0.053074 0.380400 H\n0.270160 0.539142 0.409994 H\n0.948793 0.136581 0.421987 H\n0.051205 0.863419 0.578013 H\n0.729840 0.460858 0.590007 H\n0.289866 0.946926 0.619601 H\n0.394376 0.851487 0.717914 H\n0.086192 0.472026 0.742382 H\n0.913808 0.972026 0.757618 H\n0.605623 0.351487 0.782086 H\n0.710134 0.446927 0.880399 H\n0.270160 0.960858 0.909994 H\n0.948794 0.363419 0.921988 H\n0.213565 0.605662 0.174707 N\n0.786434 0.105662 0.325294 N\n0.213566 0.894338 0.674707 N\n0.786435 0.394338 0.825294 N\n0.208253 0.778722 0.011607 O\n0.793605 0.883523 0.034063 O\n0.273417 0.208527 0.235645 O\n0.726582 0.708527 0.264354 O\n0.206394 0.383523 0.465936 O\n0.791746 0.278723 0.488392 O\n0.208253 0.721277 0.511607 O\n0.793605 0.616477 0.534063 O\n0.273417 0.291473 0.735645 O\n0.726583 0.791473 0.764354 O\n0.206395 0.116477 0.965936 O\n0.791747 0.221277 0.988393 O\n0.049214 0.162038 0.083287 P\n0.950788 0.662038 0.416714 P\n0.049214 0.337962 0.583287 P\n0.950786 0.837962 0.916714 P\n0.583003 0.822342 0.175516 Zn\n0.416999 0.322342 0.324485 Zn\n0.583001 0.677658 0.675516 Zn\n0.416999 0.177658 0.824485 Zn\n",
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{
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"structure_string": "Cd2 Re4 H16 C4 S4 N8 O16\n1.0\n8.572538 -0.039447 -0.146038\n3.448779 8.225848 -0.116134\n3.628863 0.775849 8.998479\nC Cd H N O Re S\n4 2 16 8 16 4 4\ndirect\n0.996675 0.991220 0.228986 C\n0.876098 0.468637 0.412161 C\n0.123901 0.531363 0.587839 C\n0.003326 0.008780 0.771015 C\n0.598094 0.289564 0.427939 Cd\n0.401907 0.710438 0.572059 Cd\n0.092976 0.100926 0.028555 H\n0.233356 0.840699 0.107121 H\n0.888878 0.221154 0.142821 H\n0.981925 0.626102 0.261311 H\n0.118691 0.350150 0.274296 H\n0.152390 0.765118 0.285660 H\n0.773806 0.716461 0.387501 H\n0.010846 0.223668 0.405131 H\n0.989153 0.776332 0.594870 H\n0.226192 0.283539 0.612499 H\n0.847609 0.234882 0.714341 H\n0.881306 0.649849 0.725704 H\n0.018074 0.373897 0.738690 H\n0.111122 0.778848 0.857178 H\n0.766644 0.159299 0.892880 H\n0.907024 0.899074 0.971446 H\n0.988885 0.111616 0.123998 N\n0.126667 0.847971 0.200141 N\n0.882045 0.615513 0.355707 N\n0.009827 0.337092 0.357928 N\n0.990171 0.662908 0.642073 N\n0.117953 0.384487 0.644293 N\n0.873331 0.152030 0.799860 N\n0.011115 0.888385 0.876001 N\n0.845213 0.663125 0.060434 O\n0.491115 0.707062 0.079499 O\n0.691240 0.029896 0.101626 O\n0.218229 0.500457 0.126346 O\n0.323788 0.078118 0.168824 O\n0.703402 0.403441 0.187789 O\n0.528813 0.837489 0.342464 O\n0.429853 0.186067 0.358859 O\n0.570149 0.813932 0.641141 O\n0.471189 0.162511 0.657536 O\n0.296599 0.596559 0.812210 O\n0.676214 0.921879 0.831177 O\n0.781767 0.499544 0.873652 O\n0.308762 0.970103 0.898373 O\n0.508884 0.292938 0.920502 O\n0.154786 0.336877 0.939564 O\n0.705785 0.569061 0.049949 Re\n0.495964 0.030824 0.242094 Re\n0.504038 0.969175 0.757905 Re\n0.294214 0.430939 0.950050 Re\n0.843002 0.007929 0.402460 S\n0.301555 0.555841 0.438131 S\n0.698445 0.444159 0.561870 S\n0.156999 0.992071 0.597540 S\n",
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{
"id": "oqmd-111375",
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{
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{
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}