# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4c033d32-92aa-486a-a917-6562bd2ae5c6/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 AlTlF4 / C2/c (15) / materials id 3751](https://mdr.nims.go.jp/datasets/f7967d75-a73b-40da-bedd-fc6cc5a22551) ## Fulltext elements: [F, Al, Tl]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, 204.4]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: [3.264346857843192e+00, -1.281260280967556e-01, -8.292415807055623e-01, 8.535816745004277e+02, -6.254276099432769e+02, 1.539419307728014e+02, 4.482364011894934e+02, 1.774528476891605e+01, 2.720694187447505e+03, 1.590065436643405e+00, -1.892737176150343e+02, 7.163039934535256e+04, 3.476206162856323e+05, -3.002344363852199e+02, 0.000000000000000e+00, 2.379564860660443e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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