# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ccd4a304-edbd-412a-8a91-e75f5d6ac6c4/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 Nd2S3 / I-42d (122) / materials id 32586](https://mdr.nims.go.jp/datasets/df5e062d-0cbf-4270-8b26-0344f33dddb6) ## Fulltext elements: [Nd, S]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: [144.2, 32.07]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.311596570176650e+05, 2.078855314338987e+01, -1.521074625147805e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.991455051406486e+04, -2.223610190912917e+05, 1.000615091492336e+07, 0.000000000000000e+00, 0.000000000000000e+00, 7.046731144344457e+04, 7.883496928485177e+06, -1.163921967427218e+08, 0.000000000000000e+00, 0.000000000000000e+00, -3.029420063551872e+05, 9.948621869235495e+06, 1.857909888650880e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.585256167289354e+05, -1.347465506365742e+07, -4.165737470082064e+06, 0.000000000000000e+00, 0.000000000000000e+00, -5.047917586102681e+04, 1.644050785375864e+06, -2.776715488765094e+06, 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