# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9932f2e5-2d9a-4ff8-aa08-5f50c1fd43f6/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 Rb4PbO3 / Pbca (61) / materials id 21801](https://mdr.nims.go.jp/datasets/5edc9219-3db7-414b-8a84-bdcbb7d3aa68) ## Fulltext elements: [O, Rb, Pb]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, 207.2]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: [5.844941200936235e+01, -1.780540422141928e-02, -2.929493077876079e-01, -1.098102105442349e+02, 1.121259434671124e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.052724288204459e+06, 5.261309171907758e+04, -2.726835403880205e+04, -5.246251778606941e+03, 8.968028495505900e+05, 1.916456065970762e+07, 5.063135349914725e+01, 2.684108059564994e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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