# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/222c4a39-181e-488b-8ff1-4a09991d73d8/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 Rb2ThF6 / P-62m (189) / materials id 13978](https://mdr.nims.go.jp/datasets/1360e600-9cfd-478e-80b8-dd2b432b6fae) ## Fulltext elements: [F, Rb, Th]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: [19.0, 85.47, 232.0]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: [1.602131044322692e+00, 4.902473669654405e-01, 1.916761766769990e-01, 1.817490165164787e+03, -2.045068712556491e+06, 1.073273170169407e+03, -3.880697279318974e+00, 8.824665569626519e+03, 1.029068985245167e+02, -3.246364427939116e+03, 1.907568629682096e+03, 0.000000000000000e+00, 0.000000000000000e+00, 9.409817617756369e+01, 0.000000000000000e+00, 4.852636062524627e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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