# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0fc6c4c1-f909-4ec4-bc6d-610a8f3af1cc/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 CdGeO3 / R-3 (148) / materials id 8275](https://mdr.nims.go.jp/datasets/7c3d769f-3c0c-4ec9-8fe3-a03d01fe4b52) ## Fulltext elements: [O, Ge, 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, 72.61, 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: [3.741820905687958e-01, -1.052347386720720e-01, 3.638513306007057e-01, 7.921639666698414e+00, -2.236192664632659e+00, 9.712361597801351e+00, 1.497595060516431e+03, 7.057439651663418e+01, 1.992470895520547e+03, 2.916009075562470e+00, -2.216939299410199e+02, -1.527856287320580e+03, 9.289838294131946e+02, 5.039509412239375e+01, 4.908706375297679e+03, -1.488528394510819e+03, -3.286421179094748e+05, 1.578419514656093e+05, 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