# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/601aa2cb-0970-47c8-bbc6-7a51c8259e85/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 MgSeO4 / Pnma (62) / materials id 560670](https://mdr.nims.go.jp/datasets/22b86275-3923-4c02-9b1f-04e370b4ad56) ## Fulltext elements: [Mg, 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: [24.31, 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: [3.336954788949965e+02, 1.604074882822113e+02, 2.671210028170642e-01, 1.292370138915558e+05, 9.475217220084146e-03, 3.342729588913622e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.533912041696057e+05, 0.000000000000000e+00, 9.131257341034993e+04, 0.000000000000000e+00, 6.687847072887592e+03, 2.036607397376909e+01, 1.155800219793901e+01, 2.074838472987647e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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