# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7f59c06e-ce26-4b43-a659-d804e773641c/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 Na2AsAu / Cmcm (63) / materials id 7773](https://mdr.nims.go.jp/datasets/8765021d-ad57-44f8-8c8c-3ffb2d4d46cc) ## Fulltext elements: [Na, As, Au]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: [22.99, 74.92, 197.0]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: [1.557251198543828e+01, 4.787836070840938e+00, 2.961548668368416e+00, 4.132617368568092e+03, 4.187859352912102e-01, -2.017662298210984e+00, -2.457988315819332e+05, 3.353448774574978e+05, -7.861784198857920e+05, 1.408551383526509e+04, -2.623111801492497e+05, 0.000000000000000e+00, -3.257841480396075e+03, -9.355425976455004e+03, -1.382614231926973e+03, -1.051791361563612e+05, 0.000000000000000e+00, 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