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0.575948 0.883075 Pr\n0.424052 0.899038 0.616925 Pr\n0.641438 0.641111 0.949790 Pr\n0.358889 0.358562 0.550210 Pr\n0.358562 0.358889 0.050210 Pr\n0.641111 0.641438 0.449790 Pr\n0.020178 0.076539 0.152232 Pr\n0.923461 0.979822 0.347768 Pr\n0.979822 0.923461 0.847768 Pr\n0.076539 0.020178 0.652232 Pr\n0.808327 0.338168 0.288876 Pr\n0.661832 0.191673 0.211124 Pr\n0.191673 0.661832 0.711124 Pr\n0.338168 0.808327 0.788876 Pr\n0.720967 0.365801 0.149767 C\n0.634199 0.279033 0.350233 C\n0.279033 0.634199 0.850233 C\n0.365801 0.720967 0.649767 C\n0.831324 0.256840 0.152860 C\n0.743160 0.168676 0.347140 C\n0.168676 0.743160 0.847140 C\n0.256840 0.831324 0.652860 C\n0.532826 0.531884 0.988452 C\n0.468116 0.467174 0.511548 C\n0.467174 0.468116 0.011548 C\n0.531884 0.532826 0.488452 C\n0.180323 0.212224 0.101034 I\n0.787776 0.819677 0.398966 I\n0.819677 0.787776 0.898966 I\n0.212224 0.180323 0.601034 I\n0.282730 0.806262 0.137688 I\n0.193738 0.717270 0.362312 I\n0.717270 0.193738 0.862312 I\n0.806262 0.282730 0.637688 I\n0.000000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.895226 0.396875 0.440074 I\n0.603125 0.104774 0.059926 I\n0.104774 0.603125 0.559926 I\n0.396875 0.895226 0.940074 I\n0.398214 0.904897 0.451081 I\n0.095103 0.601786 0.048919 I\n0.601786 0.095103 0.548919 I\n0.904897 0.398214 0.951081 I\n0.966254 0.498203 0.254170 I\n0.501797 0.033746 0.245830 I\n0.033746 0.501797 0.745830 I\n0.498203 0.966254 0.754170 I\n0.093178 0.112386 0.303143 I\n0.887614 0.906822 0.196857 I\n0.906822 0.887614 0.696857 I\n0.112386 0.093178 0.803143 I\n0.689779 0.708593 0.100237 I\n0.291407 0.310221 0.399763 I\n0.310221 0.291407 0.899763 I\n0.708593 0.689779 0.600237 I\n0.576542 0.625563 0.291986 I\n0.374437 0.423458 0.208014 I\n0.423458 0.374437 0.708014 I\n0.625563 0.576542 0.791986 I\n","nsites":70,"nelements":3,"elements":["Pr","C","I"],"chemical_system":"C-I-Pr","density":5.146101382285938,"density_atomic":0.027667787939110625,"volume":2530.0179455636717,"volume_molar":21.765891705014926,"formula_full":"Pr24 C12 I34","formula_reduced":"Pr12C6I17","formula_anonymous":"A6B12C17","energy":-370.4063035,"energy_per_atom":-5.291518621428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-357.5203035,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2967978,"is_theoretical":false,"updated_at":"2021-11-28T01:36:43.389000Z","spacegroup":15}]}