# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a276e159-c7c5-4a36-86e6-ec620bfd3b11/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 K3IrCl6 / P2_1/c (14) / materials id 541141](https://mdr.nims.go.jp/datasets/49eccda1-801c-4fc6-a748-54fb8b4abd49) ## Fulltext elements: [Ir, Cl, K]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: [192.2, 35.45, 39.1]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: [0.000000000000000e+00, 1.624063742151921e-01, -5.393071890282728e+02, 2.217973974014482e+01, 1.140179887279892e+01, 1.727454941388799e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.906270408092294e+01, -2.354326486060929e+06, 1.180933490546753e+04, -6.102700963887136e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.038275053895122e+05, 6.368198138241284e+04, 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