# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4b171af3-9534-44ef-a8ea-d8e2ca964961/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 Sr2H5Rh / I4mm (107) / materials id 35152](https://mdr.nims.go.jp/datasets/eebd34a4-7a6d-45f4-83c1-3d40c6d872d9) ## Fulltext elements: [H, Rh, Sr]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: [1.008, 102.9, 87.62]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: [5.336758115392917e-02, 2.372418341637684e-02, 8.542301631068824e-01, 0.000000000000000e+00, -1.611088625724130e+00, 2.094534653755912e+02, 1.284363260581551e+01, 4.248164162931205e+00, 2.064250207435926e+01, 6.372046287789431e-01, -3.480205054469639e+01, 0.000000000000000e+00, 1.363740886336762e+02, 5.572056543813692e+02, 1.556242411400531e+03, -1.104022269506019e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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