# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6b48f8d1-dae2-4137-8fb0-aaa814d5772f/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 NaGe2N3 / Cmc2_1 (36) / materials id 14433](https://mdr.nims.go.jp/datasets/df89b1ed-48fe-4423-93c0-6e844fc1c88e) ## Fulltext elements: [N, Na, Ge]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, 22.99, 72.61]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: [2.083199894519086e+01, 1.593001431311195e-01, 9.286006519003040e-02, 3.075167941661043e+01, 8.804265876177410e-01, 1.453219881490392e+02, -1.891608359713960e+05, -7.071079347635408e+04, 1.152092650587703e+04, -1.275224912477466e+02, -1.382315479593877e+02, 1.665970402108387e+03, -2.177449473017165e+04, 1.088990916520490e+01, -3.050785132240068e+03, -1.029706088022537e+03, 1.318517578175619e+06, 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