# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fb2064b6-0eaa-4603-a335-e8d33b5a21be/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 LuAlO3 / Pnma (62) / materials id 755574](https://mdr.nims.go.jp/datasets/f114d4ad-401e-49a7-80e2-4b004a31b492) ## Fulltext elements: [Lu, Al, 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: [175.0, 26.98, 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: [1.406286314916362e+02, 5.291279716604567e+00, 2.847883362266768e-01, -2.507538369218734e+02, -8.795224321282921e-02, 2.760431848188851e+00, 0.000000000000000e+00, 0.000000000000000e+00, -5.311867020241794e+03, 1.813043044875768e+04, 1.583369817389815e+03, 0.000000000000000e+00, -1.899972394714576e+01, 5.557268889169895e+01, 6.021010083059919e+00, 2.373652603125841e+03, 0.000000000000000e+00, -7.632366427885025e+03, 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