# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/53a64d80-f0cd-4217-9438-f5a2719d86fc/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 La2HfO5 / Pnma (62) / materials id 768234](https://mdr.nims.go.jp/datasets/de658fec-0a9d-448e-a05a-2520d17beb24) ## Fulltext elements: [La, 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: [138.9, 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: [1.054910595115566e+04, -4.779390093851035e+02, 1.719470170478038e-01, -7.013991064928770e+04, 3.737262493005273e-01, 7.419259613695479e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.238340275117141e+07, 0.000000000000000e+00, -1.666712581120857e+06, 0.000000000000000e+00, 5.502870720451989e+04, -1.601521535325732e+03, -1.685696204730473e+03, 1.985666603110416e+04, 0.000000000000000e+00, 1.634482425919644e+06, 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