# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0ef0c698-31f8-4c38-b44b-15589c7b1950/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 KScO2 / R-3m (166) / materials id 8188](https://mdr.nims.go.jp/datasets/8161ba7e-b4aa-44d9-a6be-89fc2300ce59) ## Fulltext elements: [O, K, Sc]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, 39.1, 44.96]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: [9.265181394057738e-01, 1.957227751499408e-01, 1.902259094079533e-02, 1.085205922660292e+01, 1.618953344538567e+02, 1.304367431102032e+01, 2.213632087145127e+03, 4.875916560203876e+03, 8.018680519638804e+01, 3.336701630543980e+02, -9.845078170489192e+01, 2.190294952418868e+03, 1.531185824298057e+04, 3.556023163216512e+00, 5.341229657847087e+03, -4.367484352285621e+01, 1.541478909299545e+05, 0.000000000000000e+00, 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