# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/10b57b68-932f-4893-9071-f3a2537c62bb/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 Na5ReO6 / C2/m (12) / materials id 8253](https://mdr.nims.go.jp/datasets/afb3a0a6-15a2-4567-9b42-2f7922b8985c) ## Fulltext elements: [O, Na, Re]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: [16.0, 22.99, 186.2]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: [1.176783980076492e+00, 5.081765529568888e-01, 4.279089706120522e-02, 6.127332875570048e+00, 9.420212971874586e+00, 0.000000000000000e+00, 7.269671661559730e+02, -8.741304415811086e+01, 6.556810833587637e+01, 1.758595075320005e+02, -4.247306538071897e+01, -5.511863229594408e+03, -1.364282139658581e+04, 3.064698096702439e+00, 3.429270109545517e+02, 0.000000000000000e+00, 2.306896122195707e+05, 0.000000000000000e+00, 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