# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/290a715e-2006-4ddd-84d0-c6b11d686b51/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 RbTmO2 / R-3m (166) / materials id 7478](https://mdr.nims.go.jp/datasets/9c3410a3-30d6-416d-84d6-1f11088c5c49) ## Fulltext elements: [O, Rb, Tm]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, 168.9]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: [1.187509443391807e+00, 3.896572067815163e-01, 4.363132106428499e-02, 1.019646480193590e+01, 4.689169665053836e+02, 6.385281756931403e+01, 3.772066326779270e+03, 2.680544494413022e+04, 2.347028105979141e+02, 2.629658046043794e+03, -2.996062200698034e+02, 1.601147244202274e+04, 0.000000000000000e+00, 1.059597021323262e+01, 4.885043986653947e+04, -1.627953630896874e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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