# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0ab87998-ba83-4d1a-80ed-04c1aec4d4c5/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 NdScO3 / Pnma (62) / materials id 31117](https://mdr.nims.go.jp/datasets/b047ccea-804d-44b5-8380-235deda78c09) ## Fulltext elements: [Nd, Sc, 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: [144.2, 44.96, 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: [2.374039754767783e+03, 3.434298409064246e+01, 4.629966981916216e-01, 1.067626677441992e+04, -3.481732169605101e-02, 1.584680482692918e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.701353031734987e+06, -2.440466938889282e+06, -1.028612663016842e+03, 0.000000000000000e+00, 1.298377439382797e+03, 1.109960870947572e+00, -1.228894740387743e+03, 2.840653046918975e+04, 0.000000000000000e+00, 1.669070939982633e+07, 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