# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0cfbbf63-4709-4749-b9ba-983cd260d94c/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 BaCdO2 / Pnma (62) / materials id 7899](https://mdr.nims.go.jp/datasets/0bdb7950-b35c-4861-8e41-e43d4b0b110c) ## Fulltext elements: [O, Cd, Ba]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: [16.0, 112.4, 137.3]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: [7.380715964653236e+01, -8.108222395821213e-02, 5.338377790056628e+00, -3.348541614353893e+01, 8.084327454599796e+02, 9.407009705533321e+03, -8.688791447091365e+05, -9.237569919260093e+03, -2.176964998760686e+05, 1.069304089996977e+00, -3.502986507834529e+02, 1.061744085453645e+04, -5.385355241139884e+04, -5.871954869827502e+03, -9.700376372012231e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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