# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/906ad66e-cb5a-4407-8ecb-0f046c0714e5/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 NaNbSe2 / P6_3/mmc (194) / materials id 7939](https://mdr.nims.go.jp/datasets/09d1f0f7-0832-46c4-930d-e27757cf9c99) ## Fulltext elements: [Na, Se, Nb]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: [22.99, 78.96, 92.91]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: [-5.929231559855728e+01, 8.479773702839246e-01, 3.985608913480884e+02, 2.341462844744676e+01, 8.873410778040121e-01, 6.673414863702264e+01, 0.000000000000000e+00, -4.128043780660548e+05, 0.000000000000000e+00, 2.878907205954593e+03, 0.000000000000000e+00, -9.792829886991753e+04, 2.373612200735917e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.644865664855049e+06, 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