# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/18d7a2ca-1efe-425d-9f17-d468f64737be/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 Na3TaF8 / C2/c (15) / materials id 17245](https://mdr.nims.go.jp/datasets/3274363b-6269-4f35-89fa-a8fe6ce2fdf5) ## Fulltext elements: [F, Na, Ta]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: [19.0, 22.99, 180.9]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: [1.642499742914957e+00, 1.451333819710061e-01, 1.943603385363854e-01, 1.076395935040107e+02, 2.995648791628133e+02, 0.000000000000000e+00, -5.102149026363054e+01, 7.117469982782079e+02, 9.797074091412946e+01, 7.597287357031455e+01, -5.844052226661763e+01, -1.617283720981691e+04, -7.486186095755291e+04, 1.602391972213066e+01, 1.089683317349360e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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