# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/acc3b30b-0282-40ef-9bad-0c4e6f25b62d/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 / Pnma (62) / materials id 438](https://mdr.nims.go.jp/datasets/e438f5a3-8139-4a12-af84-ed2a18d2d07b) ## Fulltext elements: [S, Nd]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, 144.2]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: [-4.777580126725490e+01, 1.805425285857458e+00, -2.542231571435325e+04, 1.971058554908908e+06, 1.218807473422125e+06, 1.019516632780737e+04, 0.000000000000000e+00, 0.000000000000000e+00, 5.670433952175600e+06, -1.246151937089653e+06, 2.126596092660026e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.324137272232661e+07, 1.665631805312949e+06, 8.580835002099707e+04, 0.000000000000000e+00, 0.000000000000000e+00, -3.317488816440177e+06, -1.518863336051515e+06, 2.144849262548402e+04, 0.000000000000000e+00, 0.000000000000000e+00, -2.003660958888054e+06, -1.127437617327043e+06, 5.547544063741426e+04, 0.000000000000000e+00, 0.000000000000000e+00, -5.599264945735889e+06, 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