# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5b043ca3-b3af-4677-afdc-cea8355962d4/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 TaRhO4 / I4_1md (109) / materials id 760402](https://mdr.nims.go.jp/datasets/5f88bef9-6eb5-456b-84c9-4843504493e1) ## Fulltext elements: [Ta, Rh, 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: [180.9, 102.9, 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: [-1.985382822255422e+03, -3.743759476757244e+00, 1.415202358692393e-01, 2.754844829166037e+03, 2.089813374080770e-01, 1.690704274048831e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.210145424810784e+04, 2.084263395407600e+04, 1.269782191951065e+02, 0.000000000000000e+00, -1.919146539777293e+03, 7.715449487354172e+00, 7.858299870328895e+00, -1.053711192320954e+02, 0.000000000000000e+00, -1.482462179077608e+03, 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