# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/09d6f33e-f8c5-46be-ad0e-be094c2dc8b4/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 ScAgO2 / P6_3/mmc (194) / materials id 11022](https://mdr.nims.go.jp/datasets/9b29486f-0924-4244-b44f-25e6ae1471ca) ## Fulltext elements: [O, Sc, Ag]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, 44.96, 107.9]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: [8.562854600425399e-01, 3.369975353651827e-02, 8.922135034965470e-02, 2.015413553875703e+01, 9.830579556568648e+01, 4.389846609555035e+00, 7.963302323345072e+02, 6.977669118169804e+01, 4.579716257172713e+02, 4.625034531007726e+00, -1.885786889564225e+01, 7.607432149333440e+02, 3.677175501126085e+04, 2.335486043398748e+01, -2.174370701032924e+04, -3.874608274396987e+01, -5.081241132647154e+05, 0.000000000000000e+00, 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