# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/60c88e5f-a757-46cb-a3f7-df198bc288d6/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 Na6MnS4 / P6_3mc (186) / materials id 5055](https://mdr.nims.go.jp/datasets/22358f72-0b6c-4395-bb7e-86b14d6e3abd) ## Fulltext elements: [Na, S, Mn]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: [22.99, 32.07, 54.94]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: [1.075054233455459e+01, 1.379306844261472e+00, 4.844873096569929e+00, 2.879912443366982e+01, 7.349596414344589e-02, 0.000000000000000e+00, 6.114197531196504e+05, -5.876430181242028e+04, 0.000000000000000e+00, 2.678270241011550e+03, 4.593117264356879e+04, -2.893638937675712e+05, -7.449611739535989e+02, -4.875730435733469e+05, 1.634756045935415e+03, 0.000000000000000e+00, 0.000000000000000e+00, 9.582219264810370e+02, 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