# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4e74bb61-b7a5-4a66-a364-4b739124e268/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 LuP5 / P2_1/m (11) / materials id 9853](https://mdr.nims.go.jp/datasets/58409231-5210-47aa-81d4-7847f7edc6aa) ## Fulltext elements: [P, Lu]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: [30.97, 175.0]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-5.784187063362030e-01, 6.551779350220042e+01, 0.000000000000000e+00, -1.443357032203840e+03, -1.557266339680456e+05, -4.856356923598006e+05, 0.000000000000000e+00, 0.000000000000000e+00, -6.264766393990386e+01, -1.504104812294081e+05, 4.564778837698315e+05, 0.000000000000000e+00, 0.000000000000000e+00, 6.271159584210124e+03, 3.802844705612456e+05, -3.117570380469142e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.381443801761851e+02, 2.730153827914731e+04, 1.580139789313864e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.030064392454727e+02, -6.077852921826399e+04, -1.238059999744626e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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