# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/943764fd-0cbe-4bbd-bb3b-c5d49daf5ae5/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 K2P2Pd / Cmcm (63) / materials id 7505](https://mdr.nims.go.jp/datasets/d0dce952-96ca-473e-b83f-8615aad5b591) ## Fulltext elements: [P, K, 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: [30.97, 39.1, 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: [2.057110812453779e-01, 1.778460688633284e+01, 2.719350747979207e-01, 2.528002429834677e+02, -1.789276557363865e+00, 2.129903653224606e+01, 1.354654583765470e+02, -2.648256761549489e+04, -1.986608635424277e+01, 6.629448942132341e+05, 2.312119294857521e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.775331385491426e+02, 1.739809151846786e+04, 6.516567692640376e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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