# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fd5cf810-cbfe-4a01-b7b3-f3abe33b2123/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 LaGaS3 / P2_1/c (14) / materials id 4816](https://mdr.nims.go.jp/datasets/4c7d81af-1bbd-4dd1-a5d2-7f1c329d9131) ## Fulltext elements: [S, Ga, La]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: [32.07, 69.72, 138.9]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: [1.020483704897251e+02, -3.997654633768245e-01, 3.797976791066132e+01, -1.221795066110240e+03, 5.467950813451551e+01, 2.874273412314960e+05, -1.660255918009776e+07, -1.714350926979597e+05, -6.747264427142778e+05, 2.157688832536448e+02, 8.800481502438654e+02, 2.422217537185107e+06, 2.133031762952711e+06, -2.811687383146754e+04, 4.770870796407568e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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