# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/43c72b85-374b-43f1-b2b0-49bc1c7712fa/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 CaZnF4 / I4_1/a (88) / materials id 5104](https://mdr.nims.go.jp/datasets/88e52d92-8b0d-4310-b191-6c656a8c73e5) ## Fulltext elements: [F, Ca, Zn]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, 40.08, 65.39]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: [1.904351119965026e+00, 1.120277844787109e-01, 7.267666457162006e-02, 2.304608241187374e+02, 7.146129300363781e+02, 6.703985935172483e+02, 1.461029192412055e+02, 5.528757912846089e+01, -8.346454054756244e+00, 3.104580001147347e+01, -3.429806771620349e+01, 3.932783015393026e+05, 3.220165406340012e+05, 4.502192375709313e+00, 4.875269024600517e+04, -1.255211798189877e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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