# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4c1cccfd-9edb-4641-8490-71ea01e5d3b8/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 K3W2Cl9 / P6_3/m (176) / materials id 27506](https://mdr.nims.go.jp/datasets/245845c4-84f3-41e2-845b-4bb0312772e3) ## Fulltext elements: [Cl, K, W]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, 183.8]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: [1.306430898359367e+02, 2.734907752752832e+01, 5.888807134208806e-01, 0.000000000000000e+00, 7.775040388441648e+02, 1.017379836363548e+00, -5.669851778685040e+06, -7.116466032029939e+05, 1.482394531590045e+05, -1.432019159079088e+06, 5.625186433298008e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.352496512700153e+02, 0.000000000000000e+00, -2.988680385786968e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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