# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8b077bef-9cbb-49e1-97df-d26d631ee802/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 K2Cd3S4 / Pnma (62) / materials id 18101](https://mdr.nims.go.jp/datasets/62960939-0c41-4f58-9a87-31f8a4a6387c) ## Fulltext elements: [S, K, 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, 39.1, 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: [1.758651206613580e+03, 4.064479297537580e+01, 7.712477814730040e-01, 2.901649168181357e+04, 9.771651138854649e+01, 1.029563634119998e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.715379438887743e+06, -1.276725675416268e+06, -2.470002883921870e+05, 0.000000000000000e+00, 0.000000000000000e+00, -2.003678865897408e+02, 7.474418178073226e+06, 3.385669805173239e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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