# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fd570177-1d2d-41e9-a4d6-93df05e42cff/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 Li4TaN3 / Ibca (73) / materials id 30129](https://mdr.nims.go.jp/datasets/5a3994c4-9e45-42db-9f3e-7f90f129700e) ## Fulltext elements: [Ta, N, Li]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: [180.9, 14.01, 6.941]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: [-1.161984708695858e+01, 5.352088658473178e-03, 6.462096726004678e+00, 1.947269242355832e+01, 6.403316617719550e-02, 3.097976943038855e+00, 0.000000000000000e+00, 1.631769185520717e+04, -6.182962107276680e+05, 2.380065303163486e+01, 1.665862489024764e+02, 6.507398200058015e+03, -9.133622623419262e+01, -1.257464411736255e+04, -9.437718144039046e+02, -5.277431914847596e+03, 4.726147614919523e+05, 1.455995213838349e+03, 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