# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/21d55d0c-0bdd-469a-b073-5f318865814d/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 K2YF5 / Pnma (62) / materials id 17077](https://mdr.nims.go.jp/datasets/51aed877-52f9-4489-86e7-427f592bb5fd) ## Fulltext elements: [F, K, Y]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, 88.91]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: [7.512318137864416e+00, -1.342147749082620e+00, 1.807155801403098e-01, -8.996836514294276e+01, 1.671631457674563e+03, 2.095136443844626e+03, -4.439807684815574e+03, 6.495168957445476e+03, 3.256721171417498e+03, -3.654727188589670e+03, -3.932450736365426e+03, 2.132045164254760e+06, -1.050863506145577e+07, 5.127129160445146e+01, 4.183580155541706e+05, 2.793475420128727e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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