# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/416b28bb-ace6-4b5b-8564-6c592e2996b4/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 HoTa3O9 / P2_1/m (11) / materials id 768585](https://mdr.nims.go.jp/datasets/20dd8511-0cba-4eba-b41c-952426b96154) ## Fulltext elements: [Ho, Ta, 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: [164.9, 180.9, 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: [-3.071681251463699e+03, 2.246856109789437e+02, -3.951582228875204e-02, 6.890432548185981e+01, 5.909896181200255e-01, 5.713522563201378e+00, 0.000000000000000e+00, 0.000000000000000e+00, 8.408010342121206e+06, 0.000000000000000e+00, -2.626702441812874e+05, 0.000000000000000e+00, -1.828304195852960e+03, 1.633918909634475e+02, -2.015603549616020e+02, 4.228221384267156e+03, 0.000000000000000e+00, 6.534834226144699e+03, 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