# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4184201d-1041-49bb-818f-0b685de4f7a5/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 Y2ReO5 / P4/n (85) / materials id 779456](https://mdr.nims.go.jp/datasets/074213f1-547e-45ce-8e63-1762e2a33306) ## Fulltext elements: [Y, Re, 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: [88.91, 186.2, 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: [2.783886124414503e+02, 6.837259907395736e+01, 7.216647669975607e-01, 6.599405844912550e-01, 1.263724950658405e-01, 6.445267868306564e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.101304873942976e+03, 0.000000000000000e+00, -6.943372155633668e+04, 1.149736175723421e+05, 7.586337757431224e+03, 6.107509264971993e+01, 6.404841427690657e+01, 1.219205566768859e+03, 2.567310475516213e+02, 5.135443651098569e+00, 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