# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bdb79685-20e5-4cc1-b280-3a3ed61479f3/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 K2As2Pd / Cmcm (63) / materials id 8147](https://mdr.nims.go.jp/datasets/feb00880-e618-413b-b5d3-6216a5f09b3a) ## Fulltext elements: [K, As, Pd]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: [39.1, 74.92, 106.4]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: [9.108945444574853e+01, 1.737295277472318e+01, 1.589256276202210e+00, 3.403348267585691e-01, 2.163979080092806e-01, 6.523858287113959e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.997264369210041e+05, 0.000000000000000e+00, 1.269659070363692e+04, -1.044990393557955e+04, 0.000000000000000e+00, 1.274565825362965e+03, -1.529881196163507e+04, 3.934821549315336e+02, 1.016015493423097e+02, 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