# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/10eb4b3b-f848-4c12-bac5-20cdaf75212e/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 NdOF / R-3m (166) / materials id 5634](https://mdr.nims.go.jp/datasets/2ffad60c-ca00-4ff5-9962-6f891fed6b81) ## Fulltext elements: [O, F, Nd]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: [16.0, 19.0, 144.2]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: [1.752956122807293e+00, 1.391990411596294e+00, 8.061679952299958e-02, 7.623153327371159e-01, 2.113422163972484e-03, 4.954371130585375e+02, -9.786158699900520e+02, 5.076637396541950e+03, 6.519908640371098e+02, 5.174754220017396e+02, 8.907260070760638e+01, 2.344286031847143e+03, 7.050563428718560e+02, 8.703123146316067e+01, 1.256776861976009e+03, 9.307045785205399e+03, 5.103793605242025e+02, -2.153894032260951e+02, 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