# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/14a522b9-5d7a-4353-ac58-159f08c943cf/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 Ba2GeP2 / P2_1/c (14) / materials id 8194](https://mdr.nims.go.jp/datasets/a3de0785-50dc-4c9b-bd48-7193f31b1646) ## Fulltext elements: [P, Ge, Ba]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, 72.61, 137.3]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: [-4.693255231640338e+03, 1.566084607372768e-01, 5.846659862872352e+01, 8.567590164944354e-01, 1.148615139485647e+02, 2.612797851137904e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.222854231484533e+01, -9.425186690524059e+03, 8.394949398571131e+02, 1.705606033177907e+05, -9.189322145755971e+05, 0.000000000000000e+00, 0.000000000000000e+00, 4.923692164506981e+02, 2.798354576948606e+04, 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