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{
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{
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{
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H\n0.933196 0.656488 0.272817 H\n0.598532 0.016681 0.960447 H\n0.403550 0.785255 0.978735 H\n0.884846 0.361468 0.988616 H\n0.565432 0.444348 0.865669 H\n0.367930 0.324301 0.855816 H\n0.307869 0.264015 0.723384 H\n0.302719 0.021457 0.102933 H\n0.194016 0.168089 0.478714 H\n0.607970 0.082441 0.283395 H\n0.397620 0.143695 0.099262 H\n0.127436 0.904635 0.675014 H\n0.807869 0.235985 0.776616 H\n0.564016 0.668938 0.050855 H\n0.026650 0.967719 0.727980 H\n0.666137 0.229977 0.451176 H\n0.444478 0.180272 0.881508 H\n0.807452 0.404064 0.828649 H\n0.967757 0.739580 0.176254 H\n0.555522 0.819728 0.118492 H\n0.539334 0.223112 0.239552 H\n0.934568 0.944348 0.365669 H\n0.098532 0.483319 0.539553 H\n0.901468 0.516681 0.460447 H\n0.810201 0.372346 0.180470 H\n0.310201 0.127654 0.319530 H\n0.433196 0.843512 0.227183 H\n0.238674 0.240478 0.631855 H\n0.833863 0.729977 0.951176 H\n0.494184 0.821538 0.488355 H\n0.305984 0.668089 0.978714 H\n0.365410 0.867909 0.319355 H\n0.526650 0.532281 0.772020 H\n0.865410 0.632091 0.180645 H\n0.689799 0.872346 0.680470 H\n0.166137 0.270023 0.048824 H\n0.718054 0.779730 0.775777 H\n0.092337 0.122477 0.421161 H\n0.435984 0.331062 0.949145 H\n0.907663 0.877523 0.578839 H\n0.333863 0.770023 0.548824 H\n0.039334 0.276888 0.260448 H\n0.764091 0.113177 0.447601 H\n0.707568 0.417561 0.236921 H\n0.050815 0.634687 0.915515 H\n0.627436 0.595365 0.824986 H\n0.805984 0.831911 0.521286 H\n0.102380 0.643695 0.599262 H\n0.467757 0.760420 0.323746 H\n0.872564 0.095365 0.324986 H\n0.096450 0.285255 0.478735 H\n0.692548 0.904064 0.328649 H\n0.903550 0.714745 0.521265 H\n0.207568 0.082439 0.263079 H\n0.949185 0.365313 0.084485 H\n0.107970 0.417559 0.216605 H\n0.935984 0.168938 0.550855 H\n0.189799 0.627654 0.819530 H\n0.566804 0.156488 0.772817 H\n0.197281 0.521457 0.602933 H\n0.449185 0.134687 0.415515 H\n0.792432 0.917561 0.736921 H\n0.460666 0.776888 0.760448 H\n0.384846 0.138532 0.511384 H\n0.194594 0.380245 0.959969 H\n0.632070 0.675699 0.144184 H\n0.944478 0.319728 0.618492 H\n0.458873 0.948412 0.808809 H\n0.958873 0.551588 0.691191 H\n0.264091 0.386823 0.052399 H\n0.064016 0.831062 0.449145 H\n0.218054 0.720270 0.724223 H\n0.372564 0.404635 0.175014 H\n0.305406 0.880245 0.459969 H\n0.235909 0.886823 0.552399 H\n0.115154 0.638532 0.011384 H\n0.781946 0.279730 0.275777 H\n0.041127 0.448412 0.308809 H\n0.592337 0.377523 0.078839 H\n0.694594 0.119755 0.540031 H\n0.603912 0.740980 0.092013 C\n0.637565 0.287373 0.060235 C\n0.396088 0.259020 0.907987 C\n0.058601 0.690813 0.975720 C\n0.752793 0.327874 0.218217 C\n0.247207 0.672126 0.781783 C\n0.911344 0.998449 0.307211 C\n0.763736 0.312965 0.810086 C\n0.411344 0.501551 0.192789 C\n0.103912 0.759020 0.407987 C\n0.088656 0.001551 0.692789 C\n0.236264 0.687035 0.189914 C\n0.855484 0.430330 0.438593 C\n0.441399 0.190813 0.475720 C\n0.907580 0.710373 0.215163 C\n0.723704 0.185187 0.488294 C\n0.776296 0.685187 0.988294 C\n0.584080 0.131016 0.223796 C\n0.252793 0.172126 0.281783 C\n0.915920 0.631016 0.723796 C\n0.263736 0.187035 0.689914 C\n0.896088 0.240980 0.592013 C\n0.092420 0.289627 0.784837 C\n0.592420 0.210373 0.715163 C\n0.558601 0.809187 0.524280 C\n0.144516 0.569670 0.561407 C\n0.736264 0.812965 0.310086 C\n0.355484 0.069670 0.061407 C\n0.747207 0.827874 0.718217 C\n0.415920 0.868984 0.776204 C\n0.644516 0.930330 0.938593 C\n0.137565 0.212627 0.439765 C\n0.276296 0.814813 0.511706 C\n0.862435 0.787373 0.560235 C\n0.941399 0.309187 0.024280 C\n0.223704 0.314813 0.011706 C\n0.084080 0.368984 0.276204 C\n0.407580 0.789627 0.284837 C\n0.362435 0.712627 0.939765 C\n0.588656 0.498449 0.807211 C\n0.061231 0.004444 0.093264 Cl\n0.938769 0.995556 0.906736 Cl\n0.438769 0.504444 0.593264 Cl\n0.561231 0.495556 0.406736 Cl\n",
"nsites": 184,
"nelements": 5,
"elements": [
"Ga",
"Si",
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-Ga-H-Si",
"density": 1.1465351265053467,
"density_atomic": 0.08633954479337469,
"volume": 2131.1208026442982,
"volume_molar": 6.974950788091384,
"formula_full": "Ga4 Si16 H120 C40 Cl4",
"formula_reduced": "GaSi4H30C10Cl",
"formula_anonymous": "ABC4D10E30",
"energy": -925.3746562,
"energy_per_atom": -5.029210088043478,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -922.9186562,
"band_gap": 3.8218,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.037000Z",
"spacegroup": 14
}
]
}