# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1e0bf3fe-e1d1-45d8-920d-3d3a9fe56c4b/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 KSbO3 / Fd-3m (227) / materials id 16293](https://mdr.nims.go.jp/datasets/6e72fdb0-9d11-473c-9f33-684af14d016e) ## Fulltext elements: [O, K, Sb]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, 121.8]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: [1.390761818780920e+01, 3.493436296021077e-01, 5.096496965820729e-02, 2.484402197333757e+02, 2.266578115757619e+02, 3.098485400645363e+02, 6.920021426536978e+03, 1.239487586413256e+03, -4.700269937467393e+01, 2.394235046473304e+02, -5.010341011823245e+01, 2.018616884355399e+05, 1.174613956842691e+06, 3.210863164628081e+00, 7.226446778127491e+04, -3.672090732593201e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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