# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ce7c8e3e-3bb3-4303-9aa8-b443b230b59e/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 NaAlH4 / I4_1/a (88) / materials id 23704](https://mdr.nims.go.jp/datasets/f1701546-804b-4466-904d-668cd1fc8704) ## 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: [3.812248588445211e-01, 3.876568568403269e-02, 1.892711696496958e-02, -6.533090507564280e+01, 3.195346614273733e+01, 3.122193809973060e+02, 4.559386313666786e+01, -1.424028141927168e+02, 5.724116724514714e+00, 4.853396811246035e+00, -2.230593043765179e+01, 3.751411052348375e+04, -4.098124851594882e+03, 3.299810523811090e-01, 1.851560397336385e+01, -1.522472573108612e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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