# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/15557590-f152-4662-b72e-23b3939ac65f/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 K2TeO3 / P-3 (147) / materials id 8724](https://mdr.nims.go.jp/datasets/9528ebd9-4a0f-4bbd-9f36-69c5bc4d0e88) ## Fulltext elements: [O, K, Te]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, 127.6]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: [3.381168176487761e+00, 1.840002351625901e+00, 1.289876903790990e-01, 1.049874140477946e+03, 6.366082100795605e+01, -5.484907745303206e+03, 6.285707425903561e+02, 1.922535874867559e+04, 3.369120149288835e+02, 1.105375172829719e+03, 2.474128868475432e+02, 2.575434656480515e+05, -5.872629058644289e+04, 1.126604096319048e+01, -2.937858514140366e+03, 8.564696892006915e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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