# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3d517508-330f-4516-9c00-7700fac14c04/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 Sm(ErSe2)3 / P2_1/m (11) / materials id 13282](https://mdr.nims.go.jp/datasets/2cd3caa1-864a-41f5-a262-c9cff3cd40a8) ## Fulltext elements: [Se, Sm, Er]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: [78.96, 150.4, 167.3]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: [-4.563645980404107e+01, -4.049767918942404e+00, 1.446518318499704e+01, -2.218970407318844e+05, -3.746817577287943e+03, -9.898664596292751e+03, 0.000000000000000e+00, 4.856271167134139e+06, -8.158950469339742e+06, -1.398492896083289e+05, 4.414608367608471e+05, 0.000000000000000e+00, 0.000000000000000e+00, 9.071626700889574e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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