# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9cae56cf-8b54-453c-a8b5-05f999bae351/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 Na2S / Pnma (62) / materials id 556978](https://mdr.nims.go.jp/datasets/d4e0248f-1f6a-43cd-84ff-72b3b5630050) ## Fulltext elements: [Na, 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: [22.99, 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: [4.607292803872367e+01, 4.380461501577469e+00, 7.778352598596666e+03, -2.133255959864335e+05, 4.289873650586443e+04, 2.470942532848378e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.183008780431912e+06, -7.549072126554992e+05, 5.290798320780303e+03, 0.000000000000000e+00, 0.000000000000000e+00, 4.018873670066667e+06, -1.072019395430726e+06, -2.696198569658303e+03, 0.000000000000000e+00, 0.000000000000000e+00, 6.438404573317880e+05, -1.835226064303593e+05, -7.173361293823231e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.929681517641184e+06, 1.721516023449939e+05, -7.534493254507421e+03, 0.000000000000000e+00, 0.000000000000000e+00, -3.159042706478914e+06, 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