# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4651ee18-d967-4064-89c3-4986a2ff4a52/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 Na6Ti2O7 / P2/c (13) / materials id 778364](https://mdr.nims.go.jp/datasets/18f93f63-4129-4bb9-a1af-fac207795d61) ## Fulltext elements: [Na, Ti, O]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, 47.88, 16.0]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: [1.392994965564462e+01, 6.811058312737548e+01, 3.591930678392635e-01, -2.002820939916920e+03, -4.655270229126755e-02, 1.374476476061581e+01, 1.763920864108025e+04, -1.710367772150184e+06, -2.916888011273552e+03, 7.410094318554865e+05, 8.307726971008324e+03, 0.000000000000000e+00, 9.193689455009411e+03, 4.374442123110122e+01, -1.362120031304181e+02, 1.893495379448721e+04, 0.000000000000000e+00, 3.675625153363990e+04, 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