# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9c2afaec-b268-40ed-a887-5469bcb594eb/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 Y2S3 / P2_1/m (11) / materials id 541289](https://mdr.nims.go.jp/datasets/094b5431-856f-464e-a3c2-c2e1375126bd) ## Fulltext elements: [Y, 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: [88.91, 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: [-1.130775227252106e+04, -1.715891982868399e+01, 2.859022665120516e+02, 0.000000000000000e+00, -2.831687097436888e+07, -1.036041962045292e+04, -2.890397647457990e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.388569891487346e+04, 1.499722935029439e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -7.277736345069543e+04, -2.896552161004429e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.276084329428500e+03, -4.249477324421028e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.045895267937838e+03, -7.004348349099447e+06, -1.515551971782707e+07, 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