# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/70ae4014-c887-4983-958c-96234016ba5e/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 Sm3Sb5O12 / I-43m (217) / materials id 3154](https://mdr.nims.go.jp/datasets/c14f663a-74f0-4be6-8176-40fa346ec84d) ## Fulltext elements: [O, Sb, Sm]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, 121.8, 150.4]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: [2.834205732260795e+00, 1.436982833754781e-01, 2.930055494631056e-01, 4.608148890419312e+03, 3.492189514735480e+02, -1.202938195202048e+03, -1.130551498747159e+03, 9.352953239442431e+02, 4.015973673428981e+03, 3.897917235640143e+01, -4.834117691453525e+01, 1.232061632602691e+04, 1.193303609989895e+04, 1.209690609458713e+02, 6.187943372029962e+05, 7.124173369181840e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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