# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b8729b8a-f9b2-4bb2-905b-05788d413978/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 BaAl2O4 / P6_3 (173) / materials id 4202](https://mdr.nims.go.jp/datasets/4a22f41f-d668-44d5-b0f4-cccaeb0ed089) ## Fulltext elements: [O, Al, 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: [16.0, 26.98, 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: [2.280600786081071e+01, -5.169950868257646e-01, 1.503670972144417e+00, -1.595615260995082e+00, 2.770811856767391e+02, -1.758811248796788e+05, -9.134894500197104e+02, 1.402981881062352e+03, -7.146060298521564e+04, 5.628357683350095e+00, -1.131208322334903e+03, -3.370855098206938e+03, -5.341387623229442e+04, -5.691614082134162e+03, -4.769987327750998e+05, 0.000000000000000e+00, 1.680695545050615e+06, 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