# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9a1dbe9e-fbdf-4e9d-a6a8-48c30f2fb54d/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 TmAlO3 / Pnma (62) / materials id 756281](https://mdr.nims.go.jp/datasets/beb7810a-b59d-4212-b2df-12853f80490e) ## Fulltext elements: [Tm, 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: [168.9, 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: [7.124730281937815e+01, 4.396558135378750e+00, 2.808715135462453e-01, 9.491423497144766e+01, -9.465654131896285e-02, 3.363124815550817e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.368134454220241e+04, 4.796639843458160e+04, 1.808222924734673e+03, 0.000000000000000e+00, 3.748334701416821e+01, 5.803571685004933e+01, 2.610731613102012e+01, 3.406195555074502e+03, 0.000000000000000e+00, 8.700144629761676e+04, 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