# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5f2afca9-d4f9-4b06-b4fa-2cebe493b501/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 BiOF / R-3m (166) / materials id 752949](https://mdr.nims.go.jp/datasets/68a58f3a-f042-4669-a3e7-3b6244b2840c) ## Fulltext elements: [Bi, O, F]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: [209.0, 16.0, 19.0]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: [4.398309333646324e+02, 3.359354204968604e-02, 6.563137116022781e-02, 1.377248043563652e+00, 1.364512540928628e+00, 4.832710513527055e+00, 0.000000000000000e+00, 5.022609915421257e+04, 5.812370648556014e+05, 7.221044978400587e+01, 1.156486138674350e+02, 2.205158266364764e+02, 9.616476952701544e+02, 2.752813872188676e+02, -1.530124791413956e+03, -6.661768363355278e+02, 4.218187874266534e+02, 1.682982373482857e+04, 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