# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/85aa0bad-36c4-4677-9848-d46320cd329a/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 CdSO4 / Cmcm (63) / materials id 8459](https://mdr.nims.go.jp/datasets/3cccf0ac-6c36-4f37-b53c-4a0295ffe23c) ## Fulltext elements: [O, S, Cd]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, 32.07, 112.4]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: [8.691565693492975e-01, -2.625494462230000e-03, 2.231848067946347e-01, 1.414116636313152e+04, -4.994706384721430e+01, 7.584063913603622e+02, 3.995612278653408e+02, 2.506616131972317e+01, -9.023547175142016e+01, 8.083426958754322e-01, -1.289357840414844e+01, 5.567311113082563e+06, 1.496682461616623e+04, 5.404730320956572e+01, 2.738354006317389e+05, 6.213166134212317e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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