# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5d6f9519-6855-454b-9efe-92e7dd03a85c/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 Cs2HfF6 / P-3m1 (164) / materials id 13948](https://mdr.nims.go.jp/datasets/9157b98a-3116-47ee-ad9d-71b3b723521a) ## Fulltext elements: [F, Cs, Hf]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, 132.9, 178.5]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: [5.554564900939279e-01, 1.642255562404947e+00, 4.743846093597578e-02, 2.061416435999685e+01, -6.792113745576677e+01, 0.000000000000000e+00, 6.564569958318453e+02, -3.263966590603383e+03, 1.175736841100136e+02, 3.857704025521268e+04, -1.900356580763666e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.885738204399202e+00, -1.044249983000545e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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