# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2133de19-d2ce-4a02-95d2-7ce12d4d66b5/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 La2S3 / Pnma (62) / materials id 7475](https://mdr.nims.go.jp/datasets/b28e6d8b-f4c3-427c-b8ee-f9f6450e45e1) ## Fulltext elements: [S, La]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, 138.9]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: [1.902519786678445e+02, 1.239058307754688e+01, -7.917398061288726e+04, 1.894112480569903e+06, 1.434030977777071e+06, 4.395936154382497e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.123262263665948e+07, 5.152264450138050e+06, 2.520025265276622e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.398708291912717e+07, 2.687077921510944e+05, 8.516513559577799e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.956508056260813e+06, 2.120538750582492e+06, 6.113382974878464e+04, 0.000000000000000e+00, 0.000000000000000e+00, 5.141313512892343e+06, 3.181972050769419e+05, 8.062145823229395e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.566755758961568e+06, 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