# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3680343b-2d75-4917-90b9-cdeede4c3377/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 H4BrN / P4/nmm (129) / materials id 23675](https://mdr.nims.go.jp/datasets/965a76b4-18f0-4e4f-8ae9-823b08ec4ee9) ## Fulltext elements: [H, N, Br]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: [1.008, 14.01, 79.9]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: [-8.415062747576533e-03, -1.918538081816165e-02, 7.737219480334933e-03, -1.392390505650975e+04, -1.465015104933679e+00, 1.389475586084222e+03, -1.558814759314741e-01, -7.936352966892925e-02, -1.027564127344755e+01, -2.624435936291501e-02, 4.543271437772104e+00, -1.900356225890704e+05, -1.311107535267990e+03, 7.742394177637179e+01, 2.558706494325795e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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