# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5dafc5fe-2461-4aa1-a8f1-62d23e406379/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 NaBH4 / P4_2/nmc (137) / materials id 38725](https://mdr.nims.go.jp/datasets/639bdf8c-f773-4ec3-b448-c643f45f53ca) ## Fulltext elements: [B, 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: [10.81, 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: 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: [-1.634896917685863e+03, 2.839629699252461e-03, -6.488350799391513e-01, 1.647871293737427e-02, 1.734872380702687e-01, -4.026022179461261e+02, 0.000000000000000e+00, 1.035649185060718e+05, 0.000000000000000e+00, 2.987653088236962e-02, -8.226010661300672e+00, 2.279604956458298e-01, -2.920691930022574e+00, 5.877848882175100e+03, 2.391207592609890e+03, 0.000000000000000e+00, -6.660233224653817e-02, 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