# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d7ebab76-a334-49f8-a5ec-1a140573c587/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 Nd4GeO8 / Pnma (62) / materials id 559014](https://mdr.nims.go.jp/datasets/57f381a9-fbdb-415b-aaf4-bfdc70ea10b3) ## Fulltext elements: [Nd, Ge, 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, 72.61, 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: [2.714171129638910e+03, 7.863140419564289e+01, 3.034406654212417e+00, 0.000000000000000e+00, -1.568049930236245e-02, 2.193520420097918e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.597089532795055e+04, 2.287319607928632e+06, 8.805973870048882e+04, 0.000000000000000e+00, -3.659803388777727e+03, 2.707768558461429e+02, -2.887852630725457e+02, 1.182446878673177e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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