# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5156c776-7876-4ed4-9be5-de3cd122539e/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 Rb2MgF4 / I4/mmm (139) / materials id 8861](https://mdr.nims.go.jp/datasets/9495b8e8-26ea-453e-9d09-e357c1c033f3) ## Fulltext elements: [F, Mg, Rb]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, 24.31, 85.47]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: [1.606892810290463e+00, 3.266904528419632e-02, 2.238700138329503e+00, 1.008903209711105e+04, 2.467887788744945e+01, 1.377523029582264e+03, 9.626893297879531e+02, 2.895894970555958e+01, 2.928531825696936e+03, 3.201290812135911e+00, 1.780876380731351e+02, 0.000000000000000e+00, 2.833024591150522e+03, 1.274264240202121e+03, 4.541563423213952e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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