# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e82e7688-1f77-4544-8895-fad7e991c314/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 KCdF3 / Pnma (62) / materials id 9628](https://mdr.nims.go.jp/datasets/a156b57c-439a-40d2-bf08-556b1ad386c5) ## Fulltext elements: [F, K, Cd]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: [19.0, 39.1, 112.4]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: [1.456306196708916e+01, 2.422961569611972e-01, 1.120906055672613e-02, 4.427579424462849e+02, 3.537553036451401e+01, 1.291770916476275e+05, -7.148632875615454e+04, 4.316313774473463e+04, 3.631922261724698e+03, -8.342993459690974e+02, -1.801209975103658e+02, 0.000000000000000e+00, 7.999090815762944e+05, 1.652299166024521e+01, -5.296978459135489e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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