# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d83735d1-f455-485c-9354-1262ac3c8192/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 CaSe2O5 / Pbca (61) / materials id 27845](https://mdr.nims.go.jp/datasets/75740adf-54a8-4e89-aa31-1499cc31118d) ## Fulltext elements: [O, Ca, Se]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: [16.0, 40.08, 78.96]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: [1.421424015521199e+01, -1.352087443601199e+00, -7.774034276164520e-01, 9.416938606024973e+03, 1.876547801597709e+02, -5.375655901471303e+01, -1.623120680351557e+04, -1.221072713170445e+04, 3.956460295308969e+03, 3.360809789719831e+02, 2.337162776664865e+02, -2.461898675160114e+07, 7.352820123364375e+04, 3.279128427705790e+01, 5.948561078807625e+04, 3.359244820640306e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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