# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/45e381b8-be95-4e2e-af23-39b514c27603/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 LiB13C2 / Imma (74) / materials id 655591](https://mdr.nims.go.jp/datasets/61df5962-591b-4449-8973-4aad14f617ad) ## Fulltext elements: [Li, B, C]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, 10.81, 12.01]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: [1.209577802805053e+01, -1.207433891714364e+00, -1.030815270335315e+00, 7.704615942096414e-02, -2.583909569283062e-01, 6.526394057782233e+00, 3.353474575579462e+05, -1.144744088212117e+03, 1.469472126712779e+06, 7.551191242751995e+02, -3.738638604720851e+04, 7.516096001285878e+01, -3.495001455741355e+01, 2.096549756205432e+04, 1.624578016340692e+02, 3.503447321064688e+05, -7.590186792628119e+00, 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