# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8bdbbb5f-b0f7-4c01-8404-98b29eacd59b/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 SmClO / P4/nmm (129) / materials id 27823](https://mdr.nims.go.jp/datasets/b91ec349-f9dd-41cb-964a-5677c1f46aee) ## Fulltext elements: [Sm, O, Cl]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: [150.4, 16.0, 35.45]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: [3.521932938992317e+02, 2.716713605558783e-02, 3.998205060821390e+00, 9.254176636226211e+00, 4.320240205062134e+00, 1.905465430993139e+01, 0.000000000000000e+00, 1.842417549838175e+04, 0.000000000000000e+00, 2.266935810247028e+01, -7.800059619329986e+03, 6.354085966837253e+01, 5.701343103409450e+01, -1.910008305606914e+04, -1.519782796884100e+05, 1.490927918666542e+05, -1.325191569937762e+04, 1.401901220811920e+04, 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