# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d14883a2-0f16-42f0-ad5c-5db9115e8cb6/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 KCO2 / Pbam (55) / materials id 560616](https://mdr.nims.go.jp/datasets/2c618c7e-2548-4cfe-8f46-31e71581e2dd) ## Fulltext elements: [K, C, 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: [39.1, 12.01, 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: [7.903770130210638e+02, -5.208280667376058e+01, 1.060475303376868e+01, 1.466110426617423e-01, -4.845056994404987e-01, 7.028606154746757e-01, 0.000000000000000e+00, 0.000000000000000e+00, 4.852131316797292e+06, 0.000000000000000e+00, 4.050281320070026e+06, -3.244958494694345e+04, -1.494846863437221e+04, -1.591703070278822e+04, -6.158012422311431e+00, 2.763431649873011e+03, 1.090215744002888e+01, 3.747642014520867e+00, 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