# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7f361252-c639-4ea3-84fa-858320790226/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 K4Hf5O12 / P-3m1 (164) / materials id 974482](https://mdr.nims.go.jp/datasets/364023eb-3db3-45eb-97b5-77741d2d89de) ## Fulltext elements: [K, Hf, 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, 178.5, 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: [-1.205009661294056e+02, 1.293679282912576e+02, 1.893983484985506e+00, 9.407269198331116e+01, 4.734857561636363e-01, 3.575472467549671e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.360927343472237e+06, 0.000000000000000e+00, 1.712641622115300e+05, 0.000000000000000e+00, -1.873901280840171e+03, 5.538156375315893e+02, -1.465232915105547e+02, 1.872101159826868e+04, -7.997622146028389e+06, -1.376539991544665e+03, 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