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C\n0.070313 0.614891 0.580302 C\n0.324167 0.906693 0.321393 C\n0.675833 0.093307 0.678607 C\n0.303861 0.346178 0.989891 C\n0.760909 0.568577 0.588800 C\n0.213228 0.596471 0.696813 C\n0.586607 0.044161 0.655694 C\n0.794360 0.336275 0.759747 C\n0.620568 0.857920 0.941120 C\n0.379432 0.142080 0.058880 C\n0.011519 0.763874 0.872084 C\n0.184939 0.784034 0.820249 C\n0.600355 0.286558 0.651535 C\n0.001708 0.885873 0.869643 C\n0.239091 0.431423 0.411200 C\n0.757819 0.593077 0.187389 C\n0.786772 0.403529 0.303187 C\n0.100355 0.713442 0.848465 C\n0.501708 0.114127 0.630357 C\n0.242181 0.406923 0.812611 C\n0.231433 0.292334 0.298081 C\n0.511519 0.236126 0.627916 C\n0.929687 0.385109 0.419698 C\n0.294360 0.663725 0.740253 C\n0.570313 0.385109 0.919698 C\n0.313565 0.209203 0.876628 C\n0.175833 0.906693 0.821393 C\n0.319186 0.786560 0.070562 C\n0.429687 0.614891 0.080302 C\n0.988481 0.236126 0.127916 C\n0.595034 0.939348 0.393542 C\n0.260909 0.431423 0.911200 C\n0.404966 0.060652 0.606458 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N\n","nsites":200,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.0658638958930593,"density_atomic":0.09953228959702344,"volume":2009.3981642514239,"volume_molar":6.050439294003836,"formula_full":"H104 C80 N16","formula_reduced":"H13(C5N)2","formula_anonymous":"A2B10C13","energy":-1239.96469649,"energy_per_atom":-6.19982348245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1234.18869649,"band_gap":3.0363,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0016109,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.111000Z","spacegroup":14}]}