# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/eaeffc66-e411-423f-946f-65144e0bebb6/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 Cd2SiO4 / Fddd (70) / materials id 4530](https://mdr.nims.go.jp/datasets/62279966-0c61-44a0-b9a2-f0b4397e0f5b) ## Fulltext elements: [O, Si, 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, 28.09, 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: [2.825894558582908e+00, -3.088824300478867e-02, 5.798428530371240e-01, 4.811405207099496e+04, 7.593316443925824e+00, 1.974070864901878e+01, 1.562245256619974e+03, 7.929105840818879e+01, -2.481942928160183e+02, 1.601067477166384e+00, -1.187946941932266e+02, -2.250646830050068e+06, 1.361020317894989e+02, 1.972069245321669e+02, 4.543763618649885e+03, -4.918705812600811e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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