# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f4ee189e-5270-4919-9de0-eae2035c3bfa/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 K3RhCl6 / P2_1/c (14) / materials id 28837](https://mdr.nims.go.jp/datasets/699a80e1-05c4-4848-a4d0-fa0a652ee9b9) ## Fulltext elements: [Cl, K, Rh]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: [35.45, 39.1, 102.9]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: [2.345389878892408e+01, 2.300677281755528e+01, 1.694246207822452e-01, 6.053765633644291e+03, 1.422909638131941e+03, 0.000000000000000e+00, 5.370166131001514e+05, 1.289561161085546e+06, -3.899496633157629e+03, 1.333549810704948e+05, -2.046209551654194e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.947712313500146e+01, -5.191636127275201e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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