# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/568dfea7-d2ad-4d5c-b361-6e4a8d7904ed/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 Lu4Al2O9 / P2_1/c (14) / materials id 780406](https://mdr.nims.go.jp/datasets/7ed5ce31-7f75-46cb-bf9c-b1b304c64e5a) ## Fulltext elements: [Lu, Al, O]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: [175.0, 26.98, 16.0]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: [6.967611676038809e+02, -6.362560654097017e+01, 1.941749336832573e+00, 3.054369650426397e+02, -1.999693853861435e-01, 1.876721444196682e+01, 0.000000000000000e+00, 0.000000000000000e+00, -3.598708886678969e+05, 4.754758084554337e+06, -5.283774331414590e+04, 0.000000000000000e+00, -5.383142000046330e+03, -9.279607078020098e+01, -7.234519986795243e+01, 6.588076586861209e+03, 0.000000000000000e+00, 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