# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/57257e14-fee9-41a4-bc38-e14ab3990a61/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 K2GaP2 / P2_1/c (14) / materials id 15417](https://mdr.nims.go.jp/datasets/a36d7562-d838-429a-b97b-eb062bd9de85) ## Fulltext elements: [P, K, Ga]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, 69.72]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: [-1.590452140782970e-01, 2.146389363777455e+01, 1.517560444448725e-01, 2.476107395317951e+02, 9.178812592022732e+01, 6.984736600636566e+01, 1.750097198581960e+02, -5.474052910184157e+04, -5.319391176179965e+00, 1.227861069643801e+06, 1.187654252692565e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.041293016366670e+02, 1.240546302674249e+05, 1.280412953690056e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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