# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2cf51bc0-a5f6-478e-9dc1-39a2b6bcb1b8/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for GaBiO3 / Pcca (54) / materials id 558285](https://mdr.nims.go.jp/datasets/d9b0d5bf-271b-4244-9ead-f0092fa7a734) ## Fulltext elements: [Ga, Bi, O]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [69.72, 209.0, 16.0]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [3.823869422590013e+01, -1.347131345664956e+01, 7.201217894063416e-02, 7.793554307124369e+01, 8.062636050274598e-02, 1.581751804881704e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.279166780288409e+03, 0.000000000000000e+00, -1.291741179679696e+04, 0.000000000000000e+00, 4.513314394162914e+05, 4.912213488897852e+00, -1.902183852920346e+01, -2.636393469147022e+02, 0.000000000000000e+00, 7.726720127899938e+04, 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