# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b7f1e650-eec8-4063-8f65-92a833aadd49/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 RbSmO2 / R-3m (166) / materials id 7974](https://mdr.nims.go.jp/datasets/2cd2c602-0e85-4c02-a0ee-c00db919104f) ## Fulltext elements: [O, Rb, Sm]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: [16.0, 85.47, 150.4]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: [2.884980661829321e+00, 5.137216081856144e-01, 6.487581921149531e-02, 5.758779804021098e+01, 6.984532758794290e+02, 2.931588192810761e+02, 1.750149658136493e+04, 5.060213622853919e+04, 9.327157517414734e+02, 2.900941667024510e+03, -8.322866431915704e+02, 1.326508821341766e+05, 0.000000000000000e+00, 2.995318341441333e+01, 1.017235735704250e+05, 1.665536930042908e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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