# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/94c23153-8e00-413f-9512-a4f5ba50de16/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 Cd(AuF4)2 / P4/mcc (124) / materials id 29169](https://mdr.nims.go.jp/datasets/dcd5d684-f12a-4dbd-b7bb-48d5e88dceda) ## Fulltext elements: [F, Cd, Au]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: [19.0, 112.4, 197.0]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: [5.064980397531488e+00, -9.479998405641032e-04, 1.824311325728818e-01, 0.000000000000000e+00, -3.113728879601597e+02, 4.111739325799223e+03, -8.755456237307543e+02, -1.125888230346137e+03, 5.822760909381406e+02, 3.956404477748925e+01, -5.629436833176191e+01, 0.000000000000000e+00, 2.249168819790818e+06, 9.108937391810073e+00, 4.226720321424054e+05, -2.805252915188248e+06, 0.000000000000000e+00, 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