# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/22b2ffb8-0ea3-4351-9099-a1c766cacc64/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 BaLa2O4 / Cmcm (63) / materials id 752726](https://mdr.nims.go.jp/datasets/44990883-76ff-4bfc-a8cf-ff15ac2a3d74) ## Fulltext elements: [Ba, La, O]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: [137.3, 138.9, 16.0]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: [-2.293913317922383e+02, 1.531925352173784e+02, 1.691766200825427e+00, 1.374643943250279e+03, 6.960838194574779e-01, 7.998563846373238e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.471737183729114e+06, 0.000000000000000e+00, 1.046784173621280e+07, 0.000000000000000e+00, -1.538103966195595e+04, 1.505768860661334e+03, -1.830903562004988e+03, 2.014945910595072e+05, 0.000000000000000e+00, 3.566565098855021e+05, 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