# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/056fb603-3062-4c04-8626-26c15dc1e554/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 Cs2Mn3S4 / Ibam (72) / materials id 2884](https://mdr.nims.go.jp/datasets/34829425-e026-4639-9fb6-df83a7e1f1bf) ## Fulltext elements: [S, Mn, Cs]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: [32.07, 54.94, 132.9]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: [3.565130157314751e+01, 8.338143843673344e-02, 2.257920565831621e+01, 2.701445457214822e-01, -1.594651321405192e+03, -2.946174850568073e+01, 0.000000000000000e+00, 9.303427451286421e+03, 0.000000000000000e+00, 1.058270487423128e+01, -2.713781566441936e+04, 2.761917894872245e+02, 2.577951549730363e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.610836474361684e+02, 0.000000000000000e+00, 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