# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c545a4b0-1a95-4c97-91ab-2c364eb4387a/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 Na2SO4 / Cmcm (63) / materials id 3143](https://mdr.nims.go.jp/datasets/b7b1d900-dabb-4050-bc22-486f9fbeba38) ## Fulltext elements: [O, Na, S]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, 32.07]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: [4.676659671632578e-01, 9.355037076734732e-02, -9.779263235994496e-03, -7.800153793449544e+00, 2.862129600957511e+00, 8.941617409053915e+04, 2.712965542022542e+02, 3.321650872731826e+02, 1.272955493516088e+01, 1.377354547099791e+02, -9.581160126635078e+01, 6.284529423310314e+04, 1.568096351954242e+04, 5.366010087683908e-01, 1.761942034204323e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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