# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1e2216fd-d02a-43b1-a033-bb81a9d338fd/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 Cd4P2Br3 / Pa-3 (205) / materials id 28914](https://mdr.nims.go.jp/datasets/9c016302-ac34-439a-bec1-c67a2f11a174) ## Fulltext elements: [P, Br, Cd]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: [30.97, 79.9, 112.4]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: [1.933438509303452e-01, 4.483980420955811e+02, 1.488439972493862e+00, 1.292498745036843e+03, 2.227847768506546e+00, 3.288084124844725e+02, 1.483859554236760e+02, 0.000000000000000e+00, 1.468744882188692e+02, 0.000000000000000e+00, 2.918672049849499e+06, 0.000000000000000e+00, 0.000000000000000e+00, 3.534602214030147e+02, 3.404354517288041e+03, 2.110991619143976e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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