# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/af8e6836-fffb-453b-8f60-1a8d8f6014f0/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 Lu3O2F5 / Pnma (62) / materials id 17673](https://mdr.nims.go.jp/datasets/dbbfa0cf-91ff-4118-bf55-668f31ba1442) ## Fulltext elements: [O, F, 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: [16.0, 19.0, 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: 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: [5.657216401081525e+00, 5.371961659585230e+00, -2.535824714501958e-01, 8.697427809729076e+00, 2.741497443548912e-01, 6.800348068441313e+02, 3.221251285151403e+03, -3.855979931708708e+04, -2.527574032133317e+02, 1.588868665646577e+03, 2.857147226889908e+03, -8.027454188955639e+03, 2.835699824712437e+03, 3.668211939797084e+01, -1.922516370285998e+02, 3.128088473431510e+04, 2.359714200701628e+03, 2.617573322167335e+03, 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