# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/328cc22a-27f2-44a0-873d-8aaeda4ed0ea/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 CsHF2 / I4/mcm (140) / materials id 24668](https://mdr.nims.go.jp/datasets/5e823c8b-0747-472f-92a2-ccb5d7741829) ## Fulltext elements: [H, F, Cs]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: [1.008, 19.0, 132.9]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: [4.491265671426025e+02, -6.485175600515406e-03, -9.380834365141708e+01, 1.124325346756325e-01, 4.447217728979989e+00, 1.744810618205818e+02, 0.000000000000000e+00, -1.771333002959981e+04, 0.000000000000000e+00, 1.440273747659616e-02, -1.427595561847866e+02, 9.226226706534646e-01, -8.132261191847442e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.900683701169059e+01, 4.009196275797510e+02, 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