# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3b76020c-1816-4170-a528-adf45657c4c5/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 Ho3Se3N / C2/c (15) / materials id 607806](https://mdr.nims.go.jp/datasets/95e06e7b-1293-42c0-9a30-ec1c799dddc4) ## Fulltext elements: [Ho, Se, N]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, 78.96, 14.01]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: [2.476692839897412e+02, 2.763587861121619e+01, -2.179664165564854e-01, 5.918362091530628e+02, 4.675766048187624e+02, 8.053909942962679e+00, 0.000000000000000e+00, 1.142092923247890e+06, -1.337970838223645e+05, 1.615218313808667e+04, -1.036896559652857e+04, -2.464144440551220e+07, -1.239725136967546e+06, 1.736733770730536e+02, 1.614665413404338e+05, 3.441611414408401e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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