# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b7607c0d-679d-4963-85ca-affff5fd3bc3/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 MgSeO3 / Pnma (62) / materials id 12271](https://mdr.nims.go.jp/datasets/e24970b5-59fb-4b50-838a-73f9b7c38d0c) ## Fulltext elements: [O, Mg, Se]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, 24.31, 78.96]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: [2.623582248994942e+00, 7.673569668727392e-02, 1.172155623928669e-02, 4.747904105812238e+03, -2.950081648067768e+00, 1.415279029905658e+01, 1.811786671099225e+03, -1.631327710007923e+03, 8.845156151176006e+01, 8.036137199026381e+00, -3.179488448335877e+01, -1.270945226660542e+06, 4.969531293625774e+03, 6.284376072824473e+00, -1.994750331112142e+03, -1.258923002338973e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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