# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/90879a10-e5e9-4ac4-97ef-376e83b64d99/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 Na2Ti6O13 / C2/m (12) / materials id 5449](https://mdr.nims.go.jp/datasets/281bf39f-c42a-4680-83a4-a6e54b537f34) ## Fulltext elements: [O, Na, Ti]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: [16.0, 22.99, 47.88]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: [1.078707796779010e+01, 1.635066738199276e-01, 1.133468759452006e+00, 4.236156937698839e+04, 1.329201943738577e+03, 2.095532157802103e+02, -8.228870858407181e+03, -5.894268467278640e+04, 2.183938151599206e+02, -5.368310589499773e+03, -4.051273636887470e+02, 0.000000000000000e+00, -5.755326193441498e+05, 6.610953965994592e+01, 3.553125109194737e+05, 2.834632873754813e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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