# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3505db2b-d646-4713-b461-e22f3d53ede7/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 ErInO3 / P6_3cm (185) / materials id 772217](https://mdr.nims.go.jp/datasets/5f200025-f8a8-492f-afef-6107bc25451c) ## Fulltext elements: [Er, In, O]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: [167.3, 114.8, 16.0]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: [4.412060574424104e+03, 2.031666425054579e+02, 3.066589585131986e-01, -6.572882009942201e+01, 2.633324394034813e-01, 6.962767578273567e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.399370263752065e+05, 0.000000000000000e+00, 1.299339296975277e+05, 0.000000000000000e+00, 3.038676933010564e+04, 5.248414014355139e+01, 9.050844634284553e+01, 5.183441793586972e+03, 0.000000000000000e+00, 1.626997863897123e+05, 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