# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/00292f8b-95bb-42e6-88ef-d2b023423400/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 MgTiO3 / R-3 (148) / materials id 3771](https://mdr.nims.go.jp/datasets/4c46db80-d059-49ea-bdbd-fcba8e1907f6) ## Fulltext elements: [O, Mg, Ti]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, 47.88]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: [1.562759675443714e+00, 2.667097791021553e-02, -2.618671064892555e-02, 6.015416801950392e+00, 3.228433271290741e+00, 2.101777931799313e+01, 1.456504066494567e+03, -7.098374612939919e+02, 7.005318649894920e+01, 7.785819232678735e+00, -3.055988761516915e+02, -5.302396130769476e+02, -4.628416667585818e+02, 9.709943131037017e+00, 3.450156380051718e+02, 7.499239323903895e+02, 7.699250993242927e+04, -1.298242342927326e+05, 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