# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a9f6d3b4-e8c4-4bfd-a33a-915a65e3789c/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 TbLi4F8 / Pnma (62) / materials id 505089](https://mdr.nims.go.jp/datasets/1e08772a-c209-4841-9eb3-a6e9d4cf513e) ## Fulltext elements: [Li, Tb, F]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: [6.941, 158.9, 19.0]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: [1.853435937007407e+00, 4.943805245006440e+00, 1.307449884871814e-02, 0.000000000000000e+00, 1.727820595143399e-01, 2.458499808975254e-01, -1.325771748705745e+04, 1.435026385380897e+05, -6.515129222972402e+01, -1.254270303445778e+06, -3.813192857594125e+03, 0.000000000000000e+00, 1.965155719092572e+03, 1.074030018433801e+00, -3.271228063758000e+01, 1.113428510270382e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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