# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4fa11656-5635-4feb-b677-1c1b206156a5/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 RbErO2 / R-3m (166) / materials id 7477](https://mdr.nims.go.jp/datasets/5c812ee5-fdfb-42cf-812c-469f18bdd8b1) ## Fulltext elements: [O, Rb, Er]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, 85.47, 167.3]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: [1.364366551459659e+00, 4.428027819296772e-01, 4.586635907632466e-02, 4.391510880756424e+01, 4.427038132498651e+02, 1.105708450798337e+02, 4.567752729302091e+03, 2.955521563588255e+04, 2.695002358850091e+02, 2.801239677785075e+03, -4.188952097701501e+02, 4.781080808334085e+04, 0.000000000000000e+00, 1.168108563266598e+01, 3.815791135110475e+04, 2.498770699771336e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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