# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f2c7e31c-8efe-46e1-bccb-f1e96c019b44/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 Hf2P2O9 / C2/m (12) / materials id 555344](https://mdr.nims.go.jp/datasets/b7770a84-0b4b-4455-8c72-a1d80463f19f) ## Fulltext elements: [Hf, P, 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: [178.5, 30.97, 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: [5.792460668773043e+01, 2.610925599848420e+01, 9.031562213317847e-01, 1.088968142009334e+05, -1.221444910118655e-01, 4.407785878779222e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.313545896796828e+04, 1.362185343100317e+06, 1.023847260898277e+04, 0.000000000000000e+00, -1.310060677977029e+03, 1.208100380129219e+02, 1.106476441077779e+02, 3.499636420753568e+03, 0.000000000000000e+00, -2.284943963975408e+07, 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