# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ab154f12-471d-4bd4-a5f6-125933736dfa/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 ErCuS2 / Pnma (62) / materials id 12454](https://mdr.nims.go.jp/datasets/b4e86bcb-543e-42a8-b311-2c6ceb8bfcbe) ## Fulltext elements: [S, Cu, 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: [32.07, 63.55, 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: [1.674834355884305e+03, 1.291196240747854e-02, 2.312177922782366e+00, 6.798454062310617e-01, 9.284518492910221e+00, 4.929482628376129e+03, 0.000000000000000e+00, -3.955104722323146e+05, 6.116775834694442e+06, 5.769637741853472e+01, 1.041981800717785e+03, 4.429844281669152e+02, 1.452274436020717e+03, -4.173855441986798e+02, -3.474308211404923e+04, 0.000000000000000e+00, 3.843437821164741e+03, -3.206157427547811e+04, 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