# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/27831adf-288a-411a-9c83-bb7385ff6f69/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 NaZnF3 / Pnma (62) / materials id 3795](https://mdr.nims.go.jp/datasets/9ca33dd5-44f4-466c-96c0-45763ea454e4) ## Fulltext elements: [F, Na, 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, 22.99, 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: [3.024748639049532e+00, 1.299241718546829e-01, -2.964146453041866e-02, 7.504768890647011e+01, 2.658491889373642e+00, -1.235361401218102e+02, -4.182014656220849e+02, -9.702154133435910e+01, 9.700453657807788e+01, 3.575830083693081e+01, 2.487555666906346e+01, 2.921663202795379e+04, 1.213518411136084e+03, 2.672039542015341e+00, -2.922514925040966e+02, -2.979433744619322e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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