# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e862b672-fbdd-4894-84dc-da333f646a58/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 Rb2PbO3 / Cmc2_1 (36) / materials id 21489](https://mdr.nims.go.jp/datasets/3268580a-8e44-4f6c-985c-671e0f2f71c9) ## 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: [-6.921406868433625e+00, 4.141663044249491e+00, 8.558833415751649e-01, 2.554637861645914e+01, 1.167739438053617e+02, 1.010568853211645e+01, -2.061772976039490e+05, -2.578949521758773e+05, 3.354323336895508e+03, -2.860361077307885e+04, -4.926400352387258e+03, 3.857506339355929e+06, 0.000000000000000e+00, 4.065278881954631e+01, -5.771809848671899e+05, 2.176527600502423e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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