# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2c03a454-b83c-4a97-bd4b-834fd35f8ed9/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 Nd4Al2O9 / P2_1/c (14) / materials id 561084](https://mdr.nims.go.jp/datasets/8b910e7a-e57f-4a81-bdf9-0f545f681494) ## Fulltext elements: [Nd, 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: [144.2, 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: [9.822373352685670e+03, 1.046582449095523e+02, -1.300074775307257e+00, -2.973807103234782e+02, -3.158863594776143e-01, 1.379971524817524e+01, 0.000000000000000e+00, 0.000000000000000e+00, 3.870306126871014e+06, 6.801872829543500e+07, -2.270967446265419e+04, 0.000000000000000e+00, 5.612294215749921e+03, -4.131392458808529e+02, -5.157194180938185e+01, -1.915445352581952e+03, 0.000000000000000e+00, 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