# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/137df18a-45c3-4a09-a81c-3676741e11cb/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 Na2Ti2O5 / Pbcn (60) / materials id 781948](https://mdr.nims.go.jp/datasets/1bd4a3cb-1b11-4507-bd63-ba3dc9eb0ef8) ## Fulltext elements: [Na, Ti, 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: [22.99, 47.88, 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: [2.994573468999903e+02, 4.168127177020095e+02, 8.973848998388852e-02, 4.386949123018404e+01, -9.449513987396161e-01, 1.416296648382081e+00, -5.440499317426587e+07, 0.000000000000000e+00, 3.668105505238812e+05, 0.000000000000000e+00, 6.334209482260926e+05, 0.000000000000000e+00, 4.230339689714076e+04, 3.783467335511524e+02, -7.442578309237159e+02, -6.889633997047842e+03, 0.000000000000000e+00, 5.854628410828989e+04, 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