# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2c563601-ed21-4a9e-a087-bfea9908359d/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 NaSi2N3 / Cmc2_1 (36) / materials id 8973](https://mdr.nims.go.jp/datasets/a8fabbc0-ad82-4405-87e2-f69891d65efc) ## Fulltext elements: [N, Na, Si]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: [14.01, 22.99, 28.09]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: [2.991048503986018e+01, -4.789498018077119e-01, -5.801533385200270e-01, 9.705056713938320e-01, 1.084877763278004e+00, 2.717861390704415e+01, -6.808463717698435e+04, -1.329972193467351e+04, 4.675904318600788e+03, 6.370118453595269e+02, -2.898072968758144e+01, 2.126190990670067e+04, 3.935843761491706e+04, 1.421159137970590e+01, -1.994366338477668e+02, -2.812338911908353e+02, 1.254921784295604e+05, 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