# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f2febc0c-ff11-4552-beff-60ddd4e29a8c/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 Na3NO4 / Pbca (61) / materials id 560068](https://mdr.nims.go.jp/datasets/20905b41-d289-446f-8356-8952c69fb038) ## Fulltext elements: [Na, N, 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: [22.99, 14.01, 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: [2.226786113288859e+01, 1.247305362650110e+00, 6.880040471538047e-02, 0.000000000000000e+00, -8.699569171396812e-02, 3.863011006363330e-01, 2.947335115926583e+05, -3.227999849823927e+05, -6.846536666470823e+03, -1.763138437390013e+04, -9.237568386567010e+02, 0.000000000000000e+00, 5.252480347076700e+01, 1.217825446024226e+01, -1.026741212686004e+02, 2.442700048568061e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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