# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cffd0430-1799-41c6-a486-0b21a783206b/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 K2ErF5 / Pnma (62) / materials id 17371](https://mdr.nims.go.jp/datasets/4dcba444-bb80-4cd7-9ab5-dc48c1f3fde3) ## Fulltext elements: [F, K, Er]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, 167.3]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: [6.243707628570240e+00, 6.520967361408958e-01, 3.931494142210598e-01, 7.627874672959692e+02, 1.662343412768068e+03, 3.105770041162528e+03, -5.159945676214496e+03, 1.447901909918587e+04, 1.983967308822786e+03, -3.068819935282615e+03, -3.036376470211568e+03, -1.242115477828650e+06, 8.197944616156317e+05, 2.557071575796597e+01, 6.537430827887601e+05, 1.367770444597539e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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