# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/07623a87-9338-43be-b2b3-4211dced9748/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 Tl2Au4S3 / Pmmn (59) / materials id 29898](https://mdr.nims.go.jp/datasets/92b70a19-d33f-4eb8-bc9f-988c89d211be) ## Fulltext elements: [S, Au, Tl]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: [32.07, 197.0, 204.4]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: [1.580673926929415e+03, 3.608070968069740e-01, 4.189408369384361e+00, 2.255197576633811e+00, 3.202928928220360e+00, 2.438308707548799e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.589276849779269e+02, -4.084896112511058e+03, 1.536212298435498e+03, 1.406669913015492e+03, 6.699205395603632e+03, 1.329905590573503e+05, -1.679849962003460e+05, -8.925750144462210e+03, 2.133220500479254e+05, 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