# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/405ff7e2-ca1b-4eff-9a1d-c8f2960c8b95/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 SrLi4N2 / I4_1/amd (141) / materials id 15845](https://mdr.nims.go.jp/datasets/562bb5c8-725a-4153-a5d2-49eada28020b) ## Fulltext elements: [Li, N, Sr]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: [6.941, 14.01, 87.62]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: [2.824158262745906e-01, 4.107638947517726e-02, 1.141773677829470e+00, 4.773684998926715e+01, 1.367919324948738e-01, 7.260010607591295e+02, 1.709883918425224e+01, 5.911244715749005e+00, -3.406393932416269e+02, 7.264114464365254e-01, 1.857975129425717e+02, 4.308142003375161e+01, -3.130460166077817e+01, 3.150978434021190e+03, 2.684402421526865e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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