# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/465c5c80-cfe3-409a-a376-7ceec37aa03d/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 KIO4 / I4_1/a (88) / materials id 23562](https://mdr.nims.go.jp/datasets/26f188f7-292b-47eb-8768-db246e4c578e) ## Fulltext elements: [O, K, I]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, 39.1, 126.9]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: [4.436283990385808e+00, 1.713582279837975e+00, 1.066113749565666e-01, 1.061750143827441e+05, 2.464499242630117e+04, 2.479190700436269e+05, 5.245161472914879e+04, 2.390563913571026e+04, 2.118073277414181e+02, -1.465281467610136e+03, 2.137132260105780e+03, 0.000000000000000e+00, 0.000000000000000e+00, 5.099057669757189e+00, -2.837586770547889e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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