# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/51f214ad-958d-41d5-8c9a-a1cf37929297/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 MgAl2O4 / Imma (74) / materials id 38307](https://mdr.nims.go.jp/datasets/a0228f11-4feb-4798-bce9-dfc44dafb233) ## Fulltext elements: [Al, Mg, 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: [26.98, 24.31, 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: [6.428799589028606e+01, 1.864941672990160e+01, 8.606094988556013e-03, 7.525088258159103e+00, 3.976862418972833e-02, 1.842494339664679e+00, 8.463115373318022e+04, -7.709243019567287e+04, -5.327026477511233e+02, 2.541095527098147e+04, -2.277238813196103e+02, -7.832032249923158e+04, 1.153570705922029e+02, 4.102606235177319e+00, -2.014339624151407e+01, 9.034340436712103e+00, -3.929929420225735e+04, 2.733484873471016e+02, 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