# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cf057506-77c7-40ad-b0d7-811523ef3f16/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 In4GeS4 / Pa-3 (205) / materials id 556528](https://mdr.nims.go.jp/datasets/cd1a7edd-d5c8-4daf-b547-890c67f8a3e9) ## Fulltext elements: [In, Ge, 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: [114.8, 72.61, 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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [-5.889338801491627e+02, 2.034682771502293e+00, 1.023744838119430e+00, 2.623551127157125e+04, 8.737660596462110e+02, 3.283365881015278e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.342838577054265e+06, -2.158702310017442e+03, 7.132933486188561e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.287957259405772e+02, 0.000000000000000e+00, 6.526485352657098e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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