# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4c07441c-ac9a-4b42-98a1-364aacb624f4/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 LaAuO3 / Pbcm (57) / materials id 28853](https://mdr.nims.go.jp/datasets/06286e66-c746-450e-930d-42c39fda1330) ## Fulltext elements: [O, La, Au]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, 138.9, 197.0]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: [1.352496957849187e+01, 2.073204166903761e+00, 2.597702760094876e-01, 1.253382050940735e+04, -5.594492589282660e+01, -4.807108944708266e+02, 7.909616331721928e+03, 9.230245738486843e+03, 1.730562593106134e+03, 4.874482391342707e+02, -3.045606973370826e+02, 1.236720054469307e+07, -6.057794856550992e+03, 2.199471858655438e+01, -7.132286548491700e+03, 3.823491791554817e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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