# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6c01671c-0ba7-4527-9b9d-870af7665af9/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 Na3GaSe3 / P2_1/c (14) / materials id 17148](https://mdr.nims.go.jp/datasets/5cdad947-0104-4d1c-b635-88dc114fb8dd) ## Fulltext elements: [Na, Ga, Se]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: [22.99, 69.72, 78.96]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: [6.022867833049486e+02, 2.533406861092605e+01, 1.043676387602997e+01, 1.637054525052374e+01, 4.079713907961253e-02, 1.182401070786473e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.964744042167534e+06, -2.885541468927980e+06, 0.000000000000000e+00, 4.605986705917699e+04, -1.781584028296075e+04, -3.878545637251702e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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