# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/04c87853-ce16-4573-9cdf-47fe919e0c0a/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 Sm2S3 / Pnma (62) / materials id 1403](https://mdr.nims.go.jp/datasets/ad69a3fb-9a41-4277-a163-b741e95e7ded) ## Fulltext elements: [S, Sm]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, 150.4]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: 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: [5.122272607900793e+01, -4.873373864417634e+00, -1.107306676412606e+03, 3.609805381422972e+06, 4.200853648553457e+05, 1.835837454989632e+04, 0.000000000000000e+00, 0.000000000000000e+00, -3.861659111143710e+06, -1.152264291840123e+06, 2.879624637484635e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.413751758643915e+06, -9.481486698676476e+06, 2.114042851159316e+05, 0.000000000000000e+00, 0.000000000000000e+00, -6.267700294788599e+05, 5.789583589542102e+05, -3.482716998846582e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.519035063728104e+06, -4.782636522730951e+05, 4.100269917127070e+04, 0.000000000000000e+00, 0.000000000000000e+00, -2.027156796352228e+06, 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