# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e3e49768-9798-40d7-81ea-3bdc24dce5ab/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 LiGaCl3 / Pnma (62) / materials id 29344](https://mdr.nims.go.jp/datasets/0262af4a-54d1-465a-9795-c064d030d07b) ## Fulltext elements: [Li, Cl, Ga]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, 35.45, 69.72]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: [-1.717445086792465e+04, -7.002098236548686e-02, 4.895966296882378e+01, 1.353342950108344e+02, 1.225350609978896e-01, 1.109228677483713e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.138324346092332e+02, 5.019132804895784e+03, 3.699587283207600e+05, -2.801184574721054e+03, 0.000000000000000e+00, 2.301843555985893e+05, -1.261408418818623e+06, 0.000000000000000e+00, 2.869527271319451e+05, 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