# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f757c831-28ba-4437-bca3-1870fe9bd0ac/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 Sr3(GaN2)2 / Pnna (52) / materials id 16945](https://mdr.nims.go.jp/datasets/055bb66e-99dc-4f97-9b3f-4fad2c7ceea7) ## Fulltext elements: [N, Ga, Sr]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, 87.62]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: [5.335268543326914e+00, 3.031552117233571e-02, 8.268982409697748e-01, 1.565976923420394e+00, 3.141568109773003e+01, 4.885557546719273e+02, -8.973884323800959e+04, 1.101294299736320e+03, 1.202304866043766e+03, 5.238501276287780e+00, 6.275577028716796e+01, 6.632024406701903e+02, 1.626591812607176e+03, -5.974356546508740e+02, 1.567540150100380e+05, -1.818127048811097e+05, 8.459624364930824e+03, 2.136276251816609e+04, 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