# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/25c67a57-0d11-4098-9286-998c9c392028/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 Ba(NO3)2 / Pa-3 (205) / materials id 4396](https://mdr.nims.go.jp/datasets/45d33680-f048-47f2-81e8-f06e9b55e1a2) ## Fulltext elements: [N, O, 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, 16.0, 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: [7.030080685076670e+04, -7.911974864625078e-02, -3.533907198917081e+02, 2.262600773672166e-01, 2.486682761256183e+01, 0.000000000000000e+00, 0.000000000000000e+00, -1.710146076480340e+06, 0.000000000000000e+00, -2.729213239673751e-01, -4.118969732067330e+03, 8.469019011534107e-02, 8.726625743993926e+02, 0.000000000000000e+00, -5.129771336108799e+05, 0.000000000000000e+00, 2.770549191968614e+01, 1.260038921595592e+03, 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