# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/28db748c-f780-4205-90e6-595cfe4cbc95/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 Cs2Pd3S4 / Fmmm (69) / materials id 510268](https://mdr.nims.go.jp/datasets/a9d73c51-4f0f-4c13-9919-aa8c74f42e2a) ## Fulltext elements: [Pd, Cs, S]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: [106.4, 132.9, 32.07]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: [1.937420952847986e+00, 3.338630602263092e+01, 6.912713993874721e-02, 1.281472879436055e+03, 8.673512524509552e+01, 2.077315587609902e+00, -1.159751427667663e+05, 0.000000000000000e+00, 1.814364809795568e+03, 0.000000000000000e+00, 2.123480505786160e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.852623891733497e+01, -1.903953525198943e+05, 7.876557179939375e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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