# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/95b922c7-e252-402a-aab7-8f6e37de2169/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 HoF3 / Pnma (62) / materials id 561877](https://mdr.nims.go.jp/datasets/f43aad75-e0ce-483b-8a5b-2989d3def262) ## Fulltext elements: [Ho, F]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, 19.0]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.494284119474022e+03, 2.913843056174644e+00, 6.655557108671546e+00, 0.000000000000000e+00, -1.966297447318613e+05, -3.015773536068266e+02, 2.346899903081103e+03, 7.078611450474183e+02, 0.000000000000000e+00, -5.524937108541192e+06, 3.501807799248285e+03, -4.040185576768471e+03, 3.351752027613645e+03, 0.000000000000000e+00, -9.256109640049065e+05, 1.024774354893388e+03, -1.630439100861783e+03, -9.908548295920793e+02, 0.000000000000000e+00, -6.838032217630445e+05, -1.382391201573694e+02, 4.009648082550409e+02, -9.736805384917245e+02, 0.000000000000000e+00, 1.939781250824309e+06, -3.605665495056136e+02, 4.914428366013610e+02, -7.140825087346106e+01, 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