# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/99aa703b-0a5a-4431-aff8-d0b594cd088a/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 Ba2NbN3 / C2/c (15) / materials id 17024](https://mdr.nims.go.jp/datasets/38d17444-8f6f-4017-ad05-a70e5e9d6d80) ## Fulltext elements: [N, Nb, Ba]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, 92.91, 137.3]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: [4.842588180589710e+01, -1.024548376492827e-02, 1.441127491582934e+00, -1.567123568474788e+03, 3.578007695567546e+02, 4.416142336557826e+03, -2.362105550507463e+05, -5.624152710173390e+03, 5.563323273556130e+05, 2.399126930759203e+01, 6.923906711139178e+01, 7.873933745568698e+04, 1.465729274284146e+05, -1.379673030001668e+04, -3.343053404825389e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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