# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d4d6002f-498a-4a3a-8c95-a08e0899edfa/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 HoGaO3 / P6_3cm (185) / materials id 769045](https://mdr.nims.go.jp/datasets/487ba72e-717d-4052-9b97-b3d092157bec) ## Fulltext elements: [Ho, Ga, 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, 69.72, 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: [1.765002487585607e+03, 7.754524091338951e+01, 8.636863032130147e-02, 1.581337789006551e+02, -3.875014274983226e-02, 5.246721863628232e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.481709272601453e+05, 6.804748377608948e+06, 7.053535297384896e+04, 0.000000000000000e+00, -3.925748025958660e+03, 9.126106910916684e+01, -1.047036318930698e+01, 3.718276418569439e+03, 0.000000000000000e+00, -8.648387821315633e+03, 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