# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/014efca2-0994-4b57-8ca6-7535bcef3e80/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 Ba3P4 / Fdd2 (43) / materials id 14289](https://mdr.nims.go.jp/datasets/5d8d42a5-ef60-46da-a467-00ea1274c9ab) ## Fulltext elements: [P, 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, 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: [2.926000181559063e+00, 4.228686887113162e+01, -1.845783546135914e+05, -4.869712402443165e+02, -1.406461138956943e+05, -2.267319259472384e+07, 0.000000000000000e+00, 0.000000000000000e+00, 2.907952067929169e+02, 4.644508879948962e+05, -4.856883908730245e+07, 0.000000000000000e+00, 0.000000000000000e+00, -2.248597638654232e+02, 3.157765984804420e+05, -1.372903155035575e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.939880381725705e+02, -3.595270471759374e+05, 2.068317508449579e+07, 0.000000000000000e+00, 0.000000000000000e+00, -2.544488064846109e+02, -2.702014692385644e+05, -3.044229677468037e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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