# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2f015c88-0d25-4dd8-a087-48d1576519fb/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 K2PdF6 / P-3m1 (164) / materials id 7979](https://mdr.nims.go.jp/datasets/232613b8-daf7-4083-acb3-d5eece0af632) ## Fulltext elements: [F, K, Pd]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, 106.4]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: [1.307525140561315e+00, 1.609782384085950e+00, 1.025446045634956e-01, 4.414125311297946e+02, 4.598101961841573e+01, 0.000000000000000e+00, 6.347226898596243e+02, -4.764490093189789e+03, 1.157594697112624e+02, -1.035885971511102e+03, -4.420448370540431e+02, 0.000000000000000e+00, 9.381001930475010e+05, 3.624421378245412e+00, 9.419773586959260e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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