# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/09e4ed3d-1b4a-4c7d-b835-bb754e585253/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 K3P11 / Pbcn (60) / materials id 1568](https://mdr.nims.go.jp/datasets/e2ec7d79-63bc-42e3-8089-b1b88983a9d2) ## Fulltext elements: [P, K]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]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.502780660344704e-01, 5.053962566361375e+01, 1.705524249321549e+06, 5.928500137845854e+02, 6.227585919345400e+05, 2.162642951154889e+07, 0.000000000000000e+00, 0.000000000000000e+00, -2.051018504377264e+03, -2.278553176054011e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.899233336152543e+03, 6.483774668847558e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.504850425480722e+02, -2.928091421650385e+06, -7.972033203642145e+07, 0.000000000000000e+00, 0.000000000000000e+00, 3.762418717345983e+02, -2.055889682990063e+06, 3.435289752125965e+07, 0.000000000000000e+00, 0.000000000000000e+00, 1.371969127343008e+03, 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