# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a51f79df-7c78-4350-9c73-03ac67d30aa3/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 LiB6C / Amm2 (38) / materials id 569450](https://mdr.nims.go.jp/datasets/2f4878b6-91bc-4edf-9524-75c5e1a57736) ## 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: [-8.294569715962371e+00, 6.142925532920540e-01, 7.502340490453908e-02, 1.149158148651234e-01, 5.430486276725047e-03, 1.987401207055903e-02, 1.679862630933454e+05, 1.214269538845670e+03, 7.484481154763173e+03, 2.246288430082013e+01, 2.756290116933783e+01, -1.743131131379117e+01, -2.050076669704355e+01, 1.385432321431642e+01, -6.591621246894354e+00, -4.537396412783163e+00, -5.982271775888524e-01, 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