# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b1366de9-87f1-4396-a049-95cab7a3310e/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 Sr3MoN4 / Pbca (61) / materials id 31356](https://mdr.nims.go.jp/datasets/1e4de8ee-afe1-471f-8bce-dd8b6c9316f1) ## Fulltext elements: [N, Sr, Mo]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, 87.62, 95.94]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: [2.136887697088352e+01, 2.643955875761015e+00, 6.431335947245531e-02, 1.112730892434984e+03, 3.032179320603195e+02, 0.000000000000000e+00, 5.371857019735860e+03, 1.131690017568367e+05, 3.973620597715541e+03, -1.439665700713991e+03, -6.074369629146800e+03, -3.355735310228281e+06, -2.892976371392497e+05, 1.488548197993182e+01, -5.580794572765626e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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