# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/938c73e5-20a2-4565-91fa-6e9a9ee82b94/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 SrAlF5 / P2_1/c (14) / materials id 16557](https://mdr.nims.go.jp/datasets/7767687a-1aaa-463d-a650-7a3b43d22601) ## Fulltext elements: [F, Al, Sr]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: [19.0, 26.98, 87.62]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: [4.789925252201307e+00, -3.754336181167501e-01, 7.756406495565723e-01, -2.061311677372911e+01, 3.876214421388674e+02, 1.323946859070669e+05, 2.225541470236564e+02, 4.594193842750424e+02, 4.434729339971481e+03, 2.609532564112065e+00, -1.675490076245363e+03, -2.465574472201307e+04, 1.178777571039549e+04, -6.714516182059202e+01, 3.036234022221624e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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