# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5a704491-8f4e-4463-9caf-c59dd011e5ac/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 SmCuS2 / P2_1/c (14) / materials id 5081](https://mdr.nims.go.jp/datasets/8a652d61-d58d-4e12-985a-ada22c7e258d) ## Fulltext elements: [S, Cu, 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, 63.55, 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: 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: [1.078914250153345e+02, 1.104603384468726e-01, 1.906782248684809e+01, 7.219682102927438e-01, 3.017945114167750e+01, 2.505058153057968e+03, 0.000000000000000e+00, 3.795584672169134e+04, -3.656738135222243e+05, 5.733246687989182e+01, 2.617929811642254e+03, 4.555770526882010e+02, 4.589104184470782e+03, -1.029872236259344e+04, 2.609071199102477e+05, 0.000000000000000e+00, 5.953434603441697e+02, 6.549753591053944e+04, 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