# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2e7b5ea3-e850-4322-aad1-602395a4c03b/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 Sm2TeO6 / P2_12_12_1 (19) / materials id 772900](https://mdr.nims.go.jp/datasets/a79ac06b-b992-4545-8722-adf172183827) ## Fulltext elements: [Sm, Te, 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: [150.4, 127.6, 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: [8.916566466206446e+03, 6.656985560315400e+01, 2.347179571677235e+00, 0.000000000000000e+00, 2.676266322909374e-01, 4.658027302563595e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.360340593279821e+05, 0.000000000000000e+00, 8.183701638692817e+01, 0.000000000000000e+00, 5.682648067539059e+03, -2.417077954147279e+02, -3.853615064950476e+02, 1.038385592704798e+03, 0.000000000000000e+00, 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