# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7e9ccf53-4769-4d77-a6e7-aca70b0ce7b3/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 NaAgF4 / I4/mcm (140) / materials id 7386](https://mdr.nims.go.jp/datasets/085cd0e2-92b3-4827-9832-8b5e44e1a646) ## Fulltext elements: [F, Na, Ag]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: [19.0, 22.99, 107.9]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: [1.661212061135166e+00, 9.691945324814782e-02, 1.138794634037695e-01, 8.625980859136620e+02, 2.076403643473098e+02, 2.178213872992855e+03, 1.492847533230474e+03, 1.315421930879793e+03, 1.256632907283084e+02, 1.862885842174237e+01, -8.165210327733942e+01, 0.000000000000000e+00, 8.911728709171507e+04, 7.147107922186803e+00, -2.139099096582556e+03, -7.301134948121062e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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