# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1a50fb4c-9eb5-4b7f-9c5d-f5d7e5340ca7/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 Na3SbO3 / I-43m (217) / materials id 8076](https://mdr.nims.go.jp/datasets/b29a1ce2-7888-498b-9f8c-16da30761bff) ## Fulltext elements: [O, Na, Sb]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, 121.8]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: [3.552185117110889e+00, 9.466258832411860e-02, 1.406178196847785e-01, 4.176838831709306e+00, 5.121511825031106e+00, 2.116468917649736e+02, 5.713171733151991e+03, 1.392135536802662e+02, 6.537307096086394e+02, 4.464404341310225e+01, -4.446102738928631e+01, 4.110609816592220e+02, 4.798455277876577e+03, 1.515611047039116e+01, 1.128132487262619e+02, 1.527963237777924e+04, -7.899619741929571e+03, 2.676961084921141e+05, 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