# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e14ff77e-ad20-4bee-a302-5b70b1375704/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 Sr2HN / R-3m (166) / materials id 690794](https://mdr.nims.go.jp/datasets/04cd582d-3527-4414-8b01-4aed113f5d21) ## Fulltext elements: [Sr, H, N]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: [87.62, 1.008, 14.01]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: [3.176798837088542e+01, 1.015367955862029e-01, 5.060779831613515e-02, -4.135116318383682e+01, 1.440793069512914e+02, 3.288236512043266e+02, 0.000000000000000e+00, 5.342362674984155e+04, 1.364392324171218e+04, 1.466716331080048e+02, 3.524709816786877e+03, 0.000000000000000e+00, 0.000000000000000e+00, 6.944840751527144e+01, -3.955310920685259e+05, 1.345643391764083e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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