# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bae2fd16-e6b8-44ac-8dc1-bdfd01edbc07/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 ErSF / P4/nmm (129) / materials id 10932](https://mdr.nims.go.jp/datasets/4b43a09e-fea6-4e41-970e-41510a6daffb) ## Fulltext elements: [F, S, Er]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, 32.07, 167.3]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: [2.185815526578080e+00, 7.392247860138502e-01, -3.401791770289238e-03, 5.383303339712733e+00, 1.573122359232096e+00, 4.350779520501249e+03, -7.388366287526458e+02, 2.976112497496719e+02, -8.665322539697276e+01, 1.674000389586563e+03, 3.448856746403740e+02, 1.059123139283453e+05, -1.716953200029192e+03, 9.104738784803548e+00, 3.117656594282953e+03, 4.414077767572249e+04, 4.523838111346168e+04, 2.813415102849738e+04, 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