# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7290090d-92c3-4d22-9728-1cd67901afca/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 K2GeF6 / P6_3mc (186) / materials id 14168](https://mdr.nims.go.jp/datasets/96f32ded-950a-46f7-9872-63af62ab9cc0) ## Fulltext elements: [F, K, Ge]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, 72.61]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: [8.066169848509960e-01, -1.373520618686326e+00, 2.737209121182486e-03, 1.201654441202258e+03, 2.530898820345233e+02, 0.000000000000000e+00, 2.829754338919228e+02, 3.776923813481960e+03, 2.759456566197077e+01, 6.990207330490421e+02, -7.743300127567504e+02, 0.000000000000000e+00, 1.091122833670480e+06, 1.521736735418994e+00, 9.306515188099499e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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