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C\n0.761919 0.332300 0.573189 C\n0.238081 0.832300 0.926811 C\n0.256348 0.985374 0.523505 C\n0.743652 0.485374 0.976495 C\n0.743652 0.014626 0.476495 C\n0.256348 0.514626 0.023505 C\n0.551804 0.601502 0.579135 C\n0.448196 0.101502 0.920865 C\n0.448196 0.398498 0.420865 C\n0.551804 0.898498 0.079135 C\n0.555110 0.950523 0.699948 C\n0.444890 0.450523 0.800052 C\n0.444890 0.049477 0.300052 C\n0.555110 0.549477 0.199948 C\n0.707335 0.746406 0.862631 C\n0.292665 0.246406 0.637369 C\n0.292665 0.253594 0.137369 C\n0.707335 0.753594 0.362631 C\n0.025543 0.827743 0.450786 O\n0.974457 0.327743 0.049214 O\n0.974457 0.172257 0.549214 O\n0.025543 0.672257 0.950786 O\n0.966168 0.698687 0.590492 O\n0.033832 0.198687 0.909508 O\n0.033832 0.301313 0.409508 O\n0.966168 0.801313 0.090492 O\n0.983344 0.870973 0.640177 O\n0.016656 0.370973 0.859823 O\n0.016656 0.129027 0.359823 O\n0.983344 0.629027 0.140177 O\n0.277250 0.768858 0.667598 O\n0.722750 0.268858 0.832402 O\n0.722750 0.231142 0.332402 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"elements": [
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{
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0.083988 Br\n0.622278 0.129234 0.995804 Br\n0.609523 0.381303 0.628988 Br\n0.145033 0.455114 0.583988 Br\n0.854967 0.544886 0.416012 Br\n0.390477 0.618697 0.371012 Br\n0.377722 0.870766 0.004196 Br\n0.645033 0.544886 0.916012 Br\n0.109523 0.618697 0.871012 Br\n0.654886 0.807200 0.462005 Br\n0.943420 0.902931 0.237742 Br\n0.122278 0.870766 0.504196 Br\n0.845114 0.807200 0.962005 Br\n0.556580 0.902931 0.737742 Br\n0.036111 0.148893 0.296914 N\n0.230607 0.159828 0.306243 N\n0.124683 0.171135 0.494193 N\n0.610040 0.317858 0.173439 N\n0.463889 0.148893 0.796914 N\n0.712916 0.325100 0.364186 N\n0.125342 0.409519 0.166849 N\n0.269393 0.159828 0.806243 N\n0.512644 0.342035 0.365899 N\n0.033819 0.412360 0.335552 N\n0.206729 0.427262 0.337670 N\n0.375317 0.171135 0.994193 N\n0.889960 0.317858 0.673439 N\n0.706729 0.572738 0.162330 N\n0.533819 0.587640 0.164448 N\n0.787084 0.325100 0.864186 N\n0.374658 0.409519 0.666849 N\n0.987356 0.342035 0.865899 N\n0.012644 0.657965 0.134101 N\n0.625342 0.590481 0.333151 N\n0.212916 0.674900 0.135814 N\n0.466181 0.412360 0.835552 N\n0.293271 0.427262 0.837670 N\n0.110040 0.682142 0.326561 N\n0.624683 0.828865 0.005807 N\n0.793271 0.572738 0.662330 N\n0.966181 0.587640 0.664448 N\n0.487356 0.657965 0.634101 N\n0.730607 0.840172 0.193757 N\n0.874658 0.590481 0.833151 N\n0.287084 0.674900 0.635814 N\n0.536111 0.851107 0.203086 N\n0.389960 0.682142 0.826561 N\n0.875317 0.828865 0.505807 N\n0.769393 0.840172 0.693757 N\n0.963889 0.851107 0.703086 N\n0.750468 0.119705 0.238018 O\n0.615574 0.108099 0.497952 O\n0.749532 0.119705 0.738018 O\n0.884426 0.108099 0.997952 O\n0.115574 0.891901 0.002048 O\n0.250468 0.880295 0.261982 O\n0.384426 0.891901 0.502048 O\n0.249532 0.880295 0.761982 O\n",
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"elements": [
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],
"chemical_system": "Br-H-N-O-Pt",
"density": 3.2450143087104166,
"density_atomic": 0.09210625834290882,
"volume": 1997.6927009126084,
"volume_molar": 6.538253608761038,
"formula_full": "H112 Pt8 Br20 N36 O8",
"formula_reduced": "H28Pt2Br5N9O2",
"formula_anonymous": "A2B2C5D9E28",
"energy": -915.51852294,
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"updated_at": "2021-11-28T01:34:29.050000Z",
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},
{
"id": "mp-680711",
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{
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}