# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7712c545-f7d0-49b8-a7aa-5df437e9f151/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 TbCl2F / C2/c (15) / materials id 560119](https://mdr.nims.go.jp/datasets/5e22c772-c467-4673-b234-5d655fdd5288) ## Fulltext elements: [Tb, Cl, 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: [158.9, 35.45, 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: [4.803812178370040e+04, 3.851193974729120e+00, -3.056842940397755e-03, 4.383274644354052e+01, 4.355786110906469e+00, 8.223375794646807e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.053180526706502e+04, -1.855972505749798e+02, 2.213792131081306e+05, 2.322310014009902e+05, 1.255561237718065e+01, 4.297830568359733e+03, -3.208706612247572e+04, 1.912281351060970e+06, -4.112363291125750e+05, 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