# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/46734f0e-931f-466a-860c-5e71b4db599f/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 Zn(CuO2)2 / I4_1/a (88) / materials id 752451](https://mdr.nims.go.jp/datasets/b5c270aa-e692-4bb8-9c5b-8a4a59f9157c) ## Fulltext elements: [Zn, Cu, O]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: [65.39, 63.55, 16.0]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: [3.524215428385205e+02, 4.102627929162637e+01, 3.467937832285919e-02, -1.109839660613555e+01, 1.647786320395438e-02, 2.384201451209885e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.640620418567328e+04, 2.462307557031805e+06, -9.545378358680548e+03, 8.698543756321378e+04, -3.080555702542619e+03, 1.108842880181136e+01, -7.487899405837718e-02, 4.009895240246119e+02, -1.249895089063582e+04, 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