# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/477e4b27-e67a-40e6-bb25-3e4a85b9caaa/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 K2ZrO3 / Pnma (62) / materials id 18449](https://mdr.nims.go.jp/datasets/390e23ea-4482-4981-895c-f894ca129963) ## Fulltext elements: [O, K, 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: [16.0, 39.1, 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: [3.579135918412251e+00, 5.500948178436813e+00, 1.999220332876556e-01, 2.969284054970523e+02, 7.883188328267217e+02, -1.048487884674033e+01, -5.813478433040461e+04, -6.851021197527138e+04, 1.865180823149451e+03, -1.064939928653391e+04, -3.766054027716429e+03, 8.232711395982304e+05, -2.460667577230764e+06, 3.120475610774637e+01, 2.661545937433479e+05, 5.288541940614433e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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