# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1e93b360-915c-412f-a580-bd264fb7a29e/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 K3Zn2F7 / I4/mmm (139) / materials id 3125](https://mdr.nims.go.jp/datasets/badfb2fe-1942-4560-9805-7840f9740126) ## Fulltext elements: [F, K, 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, 39.1, 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: [7.693356698026778e+00, 1.532426812988832e-01, -3.722546785314758e-02, -1.235947843290141e+04, -2.238639139105594e+00, -4.951728657695444e+03, -4.916776813300765e+03, -5.900120658229618e+03, 1.464866555136455e+02, 1.309418147859983e+03, -1.603695080814824e+02, 0.000000000000000e+00, 5.791786631749003e+05, 1.474307454894511e+01, -9.689078038932151e+02, -1.456141426621966e+06, 0.000000000000000e+00, 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