# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/53cd94ef-de96-49ce-ae7c-f237deee7b15/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 HoTaO4 / C2/c (15) / materials id 4344](https://mdr.nims.go.jp/datasets/130bfc49-437c-434a-ad37-471611227463) ## Fulltext elements: [O, Ho, 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, 164.9, 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: [9.969329164367105e+00, 1.918460087195750e-02, 2.918473568365433e-01, 8.940409954108029e+02, 1.024938044833123e+03, 3.394479627047976e+02, -3.180874416994049e+03, -1.438639159077470e+02, 3.236612338099320e+03, 2.199571707181377e+02, 2.589041822555488e+02, 1.330576261996754e+05, 1.467807080859573e+06, 4.404018960323559e+01, 2.108763646660674e+05, -7.493632702513882e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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