# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5230a9cc-bb9a-4d94-9c94-0904e44591f4/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 Ba3As14 / P2_1/c (14) / materials id 524](https://mdr.nims.go.jp/datasets/26c779a4-0711-4560-b1ef-3721d8206347) ## Fulltext elements: [As, 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: [74.92, 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: 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: [-1.449820642626767e+01, 2.876216463355786e+03, 1.269799533861506e+04, -8.698468086727575e+03, -3.104289906376894e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.398620061786033e+04, 4.690413287646611e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.949064583095000e+04, 3.369645062272292e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.402646235982492e+03, 1.855566417351135e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.237837433762758e+03, 4.954593549281144e+06, 1.860763637095013e+08, 0.000000000000000e+00, 0.000000000000000e+00, 5.670010284320235e+03, 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