# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f0f96bde-19a9-4baa-b037-ef5bbc3b13f2/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 Na4H6Ru / R-3c (167) / materials id 643001](https://mdr.nims.go.jp/datasets/f2a65490-5bb8-45bc-8433-6da394d72d7b) ## Fulltext elements: [Na, H, Ru]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: [22.99, 1.008, 101.1]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: [9.759491636763656e+01, 1.389470646224796e-01, 1.185032616992132e+00, 3.161079963149613e-02, 1.159177258402664e-02, 0.000000000000000e+00, 0.000000000000000e+00, -3.803854411319917e+03, 6.077568706497791e+05, 1.522662720258764e+01, 7.473566194736471e+02, 1.257766279339498e+01, -2.435977873993792e+00, -1.170327874449306e+02, 1.227650326400865e+01, 0.000000000000000e+00, 7.389385423137661e+00, 3.503609629984492e+00, 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