# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bf57d71e-52f4-4f6a-98eb-1f181d829a0a/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 Sm2Se2O / P2_1/c (14) / materials id 755362](https://mdr.nims.go.jp/datasets/c19617f5-a35b-4471-b377-1b06511485d0) ## Fulltext elements: [Sm, Se, 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, 78.96, 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: [2.062304090892192e+03, 3.195692038258234e+01, -1.016116198151799e+00, 2.873661325429239e+02, 5.344903776981174e+01, 3.688875887990454e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.991194945553895e+05, -1.182061992850042e+04, -4.062566822276782e+02, -1.082327183592378e+06, 3.774398508657014e+06, 1.700927007320758e+02, 4.842136941292861e+04, 4.019415829267087e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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