# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7bba183e-6b50-4c03-ad24-368f19673e59/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 Li3SbO4 / P2/c (13) / materials id 5769](https://mdr.nims.go.jp/datasets/662ae4f7-eb00-4f09-84dc-9b9599a0b9e3) ## Fulltext elements: [Li, O, Sb]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: [6.941, 16.0, 121.8]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: [1.461556987265839e+00, -2.000552281702806e-02, 6.501308845645715e+00, 4.616220903785512e+00, 2.001904255843466e-01, 4.641018993981059e+01, 1.851523632673887e+02, 4.277734578203857e+00, -4.286901021283601e+03, 3.423523319580396e+00, 5.185955744475749e+02, 1.256797521592875e+03, -3.845267533847827e+01, -2.198221134017602e+04, 4.443408577272621e+02, -7.513864221838192e+04, 5.913642281267076e+03, 2.955790622534564e+01, 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