# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a0c5210d-6f78-48d8-bed2-bc26b22edc51/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 K2HfF6 / C2/c (15) / materials id 14128](https://mdr.nims.go.jp/datasets/979898e9-9e59-446d-8fdd-69f498105b51) ## Fulltext elements: [F, K, Hf]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: [19.0, 39.1, 178.5]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: [3.773423614777788e+00, 3.107444383675142e+00, 2.811411373960024e-01, -9.899473548728726e+01, 2.735164706088989e+03, 2.000814937279813e+03, -1.267371780234043e+03, -1.636011630918029e+03, 1.207871913370101e+03, -3.400504269411699e+03, -2.282524454338718e+03, -3.951739262883951e+04, 4.809570181767677e+06, 2.854666635411944e+01, -2.233515109144026e+05, 5.513443365103443e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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