# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/65833611-ca7c-4e6f-8930-c24cc3191177/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 KBF4 / Pnma (62) / materials id 4929](https://mdr.nims.go.jp/datasets/2311664b-641c-499d-81f7-18591e8a2694) ## Fulltext elements: [B, F, K]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: [10.81, 19.0, 39.1]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: [7.347448288601074e+03, -8.548950249408281e-02, 1.808299834281069e+02, 7.268339685267042e-01, 1.040378032826280e+00, -9.956793437506659e+05, 0.000000000000000e+00, 2.349251015722821e+04, 0.000000000000000e+00, 4.127244129612283e-01, 2.634667248348724e+03, 8.909044478096803e+00, -6.584807570129982e+01, 0.000000000000000e+00, 1.842090827032255e+06, 0.000000000000000e+00, 4.902142891781600e+01, 1.222315295962457e+03, 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