# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e9a9e5b3-112c-46fb-99e7-c475fb2701ab/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 TbScO3 / Pnma (62) / materials id 31119](https://mdr.nims.go.jp/datasets/e98e2c5e-1822-4907-96b0-54387b2262d1) ## Fulltext elements: [O, Sc, Tb]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, 44.96, 158.9]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: [1.848522671776151e+01, 2.627492801737100e-02, 4.690238197939642e-01, -3.083600707505223e+04, 5.316978871845913e+01, 7.415694362065037e+02, 7.809714101838566e+03, 4.078356034147330e+03, 1.420256326868509e+04, 4.038289749123561e+00, -1.504118952070524e+02, 3.508018013857239e+05, -1.307649051698914e+03, 1.351637331899496e+02, 2.647783108229165e+04, -1.163648301497796e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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