# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4d6d7e81-55b7-46a0-8d8a-f85e8df32ff3/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 NaH / Fm-3m (225) / materials id 23870](https://mdr.nims.go.jp/datasets/53163c41-8085-4ed0-9ec1-b5b62373de9f) ## Fulltext elements: [H, Na]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]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [4.885447843716133e+00, 6.091487564329474e-02, 7.303348801574716e+00, 0.000000000000000e+00, -7.837301675774360e+01, 6.673734146121101e+00, -4.180371687630798e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.050591281680458e+03, 7.621736227559173e+00, 4.087411197330387e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.248559417001947e+02, 2.738966620892179e+01, -1.541567730322119e+04, 0.000000000000000e+00, 0.000000000000000e+00, 6.727057225069575e+03, 3.305758195298156e+00, -2.067958477037730e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.674646316194195e+02, -4.294851665397152e+00, 1.537803514416264e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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