# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2d7e6a6b-11ad-4eb0-afbe-6f2c6fc1502b/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 Ba3(AlN2)2 / Pnna (52) / materials id 17133](https://mdr.nims.go.jp/datasets/6566fa90-ef98-4e56-9f8a-41f0dfe8e1f4) ## Fulltext elements: [N, Al, 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, 26.98, 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: [-1.085058208645947e+01, -7.267112132552429e-02, 2.987993768604378e+00, 4.060828895982507e+00, 1.250688941538096e+02, 1.844778222126943e+03, 7.753752686363181e+04, 2.197213139973630e+03, -3.895250820196098e+04, 3.728161282949434e+00, 1.988654791356131e+03, 9.997979959567433e+02, 2.703825751772641e+04, -4.181289523609413e+04, 1.474653701633851e+06, -7.308168080097545e+06, 3.676380951853932e+04, 1.594034179519764e+03, 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