# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/006876ee-eee3-4105-ba88-a3d617912d03/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(GaN2)2 / Pnna (52) / materials id 18297](https://mdr.nims.go.jp/datasets/301ac925-d7f5-4629-bc77-e58de8c6a717) ## Fulltext elements: [N, Ga, 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, 69.72, 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: [3.515106262626773e+00, 3.771572956139459e-02, 4.389098178982165e-01, -4.143950582594718e+00, 1.799608351330015e+02, 7.636375093374321e+02, 3.589591405761216e+05, 2.110773625106903e+03, 1.152361395491092e+05, 5.021005077334404e+00, 3.188501374345661e+02, 1.517266739350693e+03, 1.930064610117078e+04, -2.239548334492173e+04, -1.068479971935701e+04, 4.393529773202571e+06, 7.941907099154602e+04, 2.355556900665661e+06, 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