# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2eedfa3a-a065-4005-a2f6-a3b30a174681/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 Rb2PdC2 / P-3m1 (164) / materials id 10918](https://mdr.nims.go.jp/datasets/b6857179-cb94-4c05-a92f-5a03c99308b1) ## Fulltext elements: [C, Rb, 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: [12.01, 85.47, 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: [1.634523714089573e-02, 7.376074354720962e+00, 7.123925733292016e-02, -6.671354660922465e+00, 2.853644970321189e+00, 0.000000000000000e+00, 1.530153301806630e+00, -3.583510765470018e+02, -1.160832602752657e+01, 3.196241625585776e+04, 1.248150463282656e+03, 0.000000000000000e+00, 0.000000000000000e+00, 9.672816274002724e+00, 3.019856705206403e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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