# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e122f3ff-49c9-4b9b-b8b1-a5b5f7f856fd/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 LuSF / R-3m (166) / materials id 555850](https://mdr.nims.go.jp/datasets/02742c95-7b35-41f7-bdd6-35885da6fcf4) ## Fulltext elements: [Lu, S, F]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: [175.0, 32.07, 19.0]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: [-1.675371385330191e+03, 8.450864798469674e-01, 1.561861866160910e-01, 1.106820439557483e+02, 3.378747491691764e+00, 2.240281446083926e-01, 0.000000000000000e+00, 0.000000000000000e+00, 2.528339604579327e+03, 4.394560313420312e+02, -3.552707577598962e+01, 2.302005041418114e+05, 1.444954511215188e+04, 4.470692234405227e+01, 1.437818000767317e+03, 1.930038041535114e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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