# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/beab634e-2573-413b-ab1e-5e57e61f8544/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 Na5Al3H14 / P4/mnc (128) / materials id 24822](https://mdr.nims.go.jp/datasets/e3f8c1e1-14be-4db3-941f-03c5a2ce9962) ## Fulltext elements: [H, Na, Al]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: [1.008, 22.99, 26.98]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: [1.115075458203988e-01, 8.558109520399387e-02, 1.185147429652494e-02, 1.012443408251450e+00, 1.403701223506029e+00, 1.266054696381630e+00, 2.319194320952981e+01, -1.710543141847355e+00, -2.018246694145450e+00, 8.944398201719785e+00, -1.695220363441315e+01, 7.268056528021610e+01, 1.041721193285037e+03, 2.581656042428692e-01, -1.824625117063868e+02, 7.236272975931764e+02, 0.000000000000000e+00, 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