# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/52d3abe2-32bd-4725-b9f0-9f21b4762916/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 Sr5Ta4O15 / P-3c1 (165) / materials id 769582](https://mdr.nims.go.jp/datasets/a8a1277e-03b2-409d-88ce-6914c37721bc) ## Fulltext elements: [Sr, Ta, 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: [87.62, 180.9, 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: [3.263849417168082e+01, 1.368888256631447e+02, 3.905789839486390e-01, 1.140643136765993e+04, 1.777706001093761e-01, 1.070727607732672e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.333457132450851e+04, 0.000000000000000e+00, 1.993809756174751e+05, 0.000000000000000e+00, 5.571738638809090e+02, 4.605039955150201e+02, 1.672672913132638e+01, 5.545323313084556e+03, 0.000000000000000e+00, 1.442297867536549e+06, 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