# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0f920b09-97d5-4ff2-a78b-40ff80d8164b/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 Hf3N2O3 / Cm (8) / materials id 754668](https://mdr.nims.go.jp/datasets/d45a8075-8aa3-4b49-ba7e-7a9306d53f09) ## Fulltext elements: [Hf, N, 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, 14.01, 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: [2.986379118134911e+02, 7.932968107997416e-01, 1.254625431608184e-01, 1.499798384388319e+00, 4.564742220807837e+00, 1.040207065370572e+01, -4.501314564289686e+06, 1.600357213743948e+04, 4.218947030338401e+04, -1.254036515567972e+01, 5.174528422973016e+02, 2.843751543760308e+03, 2.209678882518077e+02, 2.730720444434576e+01, 1.824798768732162e+03, 3.808577159350546e+03, 1.272579271253053e+04, -7.127284986863098e+04, 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