# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/86062f47-9dae-47e9-a040-19cb8635f957/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 Na3H7Ru / P4_2/mnm (136) / materials id 698032](https://mdr.nims.go.jp/datasets/7b947b39-5c72-4486-9e5e-f0b79953b605) ## Fulltext elements: [Na, H, Ru]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, 1.008, 101.1]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: [-8.755597127360695e-01, 2.244866634825537e-01, 1.585534700925569e+01, 1.903870929694972e-02, 3.944853005428675e-02, 0.000000000000000e+00, -1.726966647926745e+05, 6.302934436261620e+03, 9.338991388638299e+05, 1.481242814093187e+01, 2.510572950689218e+03, 1.314794667990084e+01, -8.553490384454896e+01, 6.814760847814666e+03, 3.514587573059225e+02, 0.000000000000000e+00, -8.057907528604362e+00, 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