# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7cd3cdea-49d1-4ae0-8c25-f5a60c18d3f6/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 K2Pd3S4 / Fddd (70) / materials id 9910](https://mdr.nims.go.jp/datasets/5b2ed11e-3c30-42d5-87b9-baddffdb6e2c) ## Fulltext elements: [S, K, Pd]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, 106.4]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: [1.414577823203991e+01, 3.496487915771109e+00, 1.567141235703853e-01, 7.865284999282707e+01, -3.604708269509063e+02, 9.203857408731447e+01, 3.121648427584926e+06, 7.504769614067527e+05, -2.497700457384066e+03, 1.775544960303487e+06, -3.645408676667959e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.392790742703345e+02, -2.482654692934560e+05, 4.010472865603569e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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