# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/83dd3bc7-41f8-461f-912b-ad23442dd60e/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 NaNbO2 / P6_3/mmc (194) / materials id 3744](https://mdr.nims.go.jp/datasets/6ff8b78a-8db7-4af9-893a-3f9a40e95385) ## Fulltext elements: [O, Na, 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: [16.0, 22.99, 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: [7.762950695793447e-01, 4.076471059712369e-02, 4.201771262809128e-02, 4.781733917073561e+00, -2.638944460313420e+01, 1.356218642642802e+01, 5.679676008431761e+00, -2.863014362542217e+02, 9.725761540873543e+01, 6.928401905351644e+00, -2.011086808012423e+02, -4.393514867382977e+02, -4.260433598422109e+03, 3.349673754810201e+00, 9.433276085970576e+03, 1.213899615260668e+03, 2.516734599241752e+04, 4.100226955056569e+05, 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