# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/54d8c60f-5d64-4eb6-9d97-f78d616c99d7/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 NdBrO / P4/nmm (129) / materials id 23068](https://mdr.nims.go.jp/datasets/a14f68f4-f95f-4bba-b67c-40e9c0eca34c) ## Fulltext elements: [O, Br, 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, 79.9, 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: [2.900503173773018e+00, 1.033443546683082e+01, 1.028838210866790e-02, 7.205004996951206e+01, 9.697279618080119e+00, 3.980020949107561e+02, -3.478248999731460e+04, 1.859475928192666e+04, 4.053660524348429e+00, 1.521431102263561e+06, 7.999340731847035e+03, 0.000000000000000e+00, 4.383447541038956e+05, 1.925071983796378e+01, 2.688666472019239e+02, -1.871900925551881e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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