# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ed859e34-d160-48d0-9784-c9db3454f27c/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 PdSe2O5 / C2/c (15) / materials id 4649](https://mdr.nims.go.jp/datasets/f39d4909-6a1e-4168-a11f-7f50f8aa242e) ## Fulltext elements: [O, Se, Pd]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, 78.96, 106.4]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: [2.940433072869033e+01, -7.805473689610106e-01, -6.993872464700325e-01, 1.568541728538064e+02, 1.199965442548855e+02, -9.383875279419262e+03, 1.610688869928371e+04, 4.071636864825813e+02, -5.718378681352959e+02, 2.566189357615931e+01, -8.107195940311581e+01, -5.960214194842943e+03, 2.424697122468726e+04, 9.590379252703443e+01, 5.843718526626650e+04, 7.401393145682929e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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