# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e0b6d72b-f9db-4d9c-93d4-e87bbe85e51d/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 Sr5Zr3F22 / P2_12_12 (18) / materials id 29085](https://mdr.nims.go.jp/datasets/309e7c3d-badb-41eb-8f8f-5865c425d57a) ## Fulltext elements: [F, Sr, Zr]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, 87.62, 91.22]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: [4.822127052331037e+00, 7.117271313475763e-01, 5.366904092994128e-01, 1.123733377450407e+04, 2.695870224087681e+03, -2.415119348289069e+04, -7.613950921142586e+01, -2.175819598510202e+02, 1.943756156496954e+03, 2.122825594234713e+02, -2.854293701007393e+03, 0.000000000000000e+00, -9.698420196914960e+06, -3.420876810713553e+01, 1.181393108521306e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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