# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d64e5cb8-f841-4cfb-97b9-e245f4ea0c30/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 K7LiSi8 / Pa-3 (205) / materials id 3949](https://mdr.nims.go.jp/datasets/4cff1bac-6083-40b4-8383-2614fce1f3b9) ## Fulltext elements: [Li, Si, 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: [6.941, 28.09, 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, 5.518031316932234e-03, 4.277146269183374e+02, 7.365639434961680e-01, 8.680925344390808e+01, 1.612205597170262e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.982075566371565e+03, -3.289867579666371e+05, 2.474152683116514e+03, 5.621604035065694e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.210687894367402e+02, 6.196282753765347e+04, 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