# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7d555a5e-5d35-4a09-b83f-eac5d81ea144/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 Rb2Cd3S4 / Pnma (62) / materials id 18556](https://mdr.nims.go.jp/datasets/b3806eb2-8032-43c3-a6a5-d904f770ea71) ## Fulltext elements: [S, Rb, 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: [32.07, 85.47, 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: [3.953745875189801e+03, 4.962939935108481e+01, 7.568724481950847e-01, 2.582197335306192e+04, -6.897389204150954e+02, 8.948026504152882e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.394904727552045e+06, -7.799849940621059e+06, -5.227776713382322e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.299970115039143e+01, 3.930606667772314e+06, -8.320569591732678e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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