# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e9ee34d5-d5f3-448a-81c2-5484d2174cdc/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 Zn(AuF4)2 / P2_1/c (14) / materials id 17512](https://mdr.nims.go.jp/datasets/13a0a90d-ff7b-4030-a6a3-1821ba30bf14) ## Fulltext elements: [F, Zn, 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, 65.39, 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: [2.645467764383075e+00, 1.282275264849663e-01, 2.381862233243109e-01, 0.000000000000000e+00, -2.906414666337434e+02, 1.489307246160199e+03, -6.670349202136106e+01, -4.186169884578843e+02, 1.019434292355814e+03, 1.178845284129786e+01, 1.061619356994915e+02, 0.000000000000000e+00, 2.619810335929610e+05, 1.317138390442634e+01, -4.366103876005948e+04, 1.695358521073741e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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