# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/da414db7-7be9-4621-8e8f-9a87423f0edf/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 ScAlO3 / Pnma (62) / materials id 4471](https://mdr.nims.go.jp/datasets/c1562f58-e8c6-4748-b35c-80dade6047e1) ## Fulltext elements: [O, Al, Sc]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, 26.98, 44.96]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: [2.807265615999869e+00, -5.500866564666068e-02, 9.894450081258296e-02, 7.503331196709887e+02, 3.931464850056736e+00, 4.165921369569452e+01, 3.305762079686245e+02, 4.183577830034080e+01, 1.156490675658762e+03, 8.194841583693706e-01, -1.042094040311217e+01, 1.260710337926489e+04, -1.090342860779533e+02, 3.519044600057808e+01, 3.622366431866060e+01, 5.427142920631498e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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