# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/be13565b-fa89-471f-8af0-e5a5c9ccc752/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 Li3CuS2 / R-3c (167) / materials id 867700](https://mdr.nims.go.jp/datasets/334c312f-3fd8-4bdd-832b-65c983bdb5b6) ## Fulltext elements: [Li, Cu, S]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, 63.55, 32.07]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: [1.560544988030551e+00, 3.270486614615623e-01, 8.581935450279719e-02, 0.000000000000000e+00, 1.067332620103385e-01, 2.372743618399342e+01, 2.284366531033127e+03, -5.223602770051769e+03, -2.370247580771628e+02, 3.216070922505904e+02, -5.911234643966949e+01, 0.000000000000000e+00, 1.768894656225423e+01, 3.859215628207354e+01, 5.151032927724036e+00, 6.690924431536452e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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