# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4d5dcece-8597-4a95-bfc9-e8a067508e60/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 Na2Te2O7 / Imma (74) / materials id 20254](https://mdr.nims.go.jp/datasets/e4b64bd8-d50d-4725-8ce5-153aa33981a5) ## Fulltext elements: [O, Na, Te]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, 127.6]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: [4.304390966988096e+00, 2.560750187196686e-01, 9.580233791290323e-02, -1.464145203073530e+03, -4.499345226861588e+02, 1.211909937939161e+02, 3.309343760431168e+03, 3.511254677967601e+03, 9.454080777711583e+01, 6.749950569385666e+01, -3.973132419322359e+02, 1.189991302736339e+06, -1.480202371900656e+05, 7.882673011524205e+00, 1.456574544050641e+05, 4.480724047523917e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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