# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4924c67b-40bb-4fab-8574-2e32b1df3815/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 KLaO2 / R-3m (166) / materials id 7958](https://mdr.nims.go.jp/datasets/d7370455-0e64-423d-a60b-9b573e7f22e6) ## Fulltext elements: [O, K, La]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, 138.9]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: [3.874186230362426e+00, 1.616354077396250e-01, 7.428863441915598e-02, -8.813935700652561e+01, 3.032536088671907e+02, 3.772622216147670e+02, 2.620329760037093e+04, 1.043603261658905e+04, 1.966667850571552e+03, 7.621003995743611e+02, -9.517313208013027e+02, 0.000000000000000e+00, 0.000000000000000e+00, 5.858100892861106e+01, -2.211189675129741e+03, 4.106654650283119e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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