# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/690b802c-0d96-4088-9a22-219d11be0aaf/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 NdTaO4 / C2/c (15) / materials id 4718](https://mdr.nims.go.jp/datasets/e3b260c9-85c4-463b-be70-9957b905292f) ## Fulltext elements: [O, Nd, Ta]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, 144.2, 180.9]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: [1.201480309403237e+01, 8.108304858393387e-01, 2.415958595183647e-01, 6.796333786705980e+03, 4.677620894326375e+03, 3.641237413921525e+02, -4.844148608936930e+03, 7.023165960767667e+03, 1.486965982201263e+03, 6.809540081973220e+02, 2.437542117123593e+02, 2.404549647534780e+05, 5.291656680065871e+06, 3.516330457446872e+01, 8.087455193299551e+05, -1.088903549060809e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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