# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4eb8668c-596c-4d9d-803e-3917ee50f1d8/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 LaF3 / P-3c1 (165) / materials id 905](https://mdr.nims.go.jp/datasets/3ec3c194-92bb-40ee-9324-6899fe51778c) ## Fulltext elements: [F, La]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, 138.9]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: 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: [1.267184866385264e+00, -1.876081707213682e+00, 2.368775697157373e+04, 1.180555611911468e+04, 3.016813250968893e+03, 1.960986819741970e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.391073343231423e+04, -4.737354643811387e+04, 2.697582726074023e+04, 0.000000000000000e+00, 0.000000000000000e+00, 4.887349675771182e+04, 9.655250892604632e+03, 5.214112273857356e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.048574752020101e+04, 3.147455986098020e+03, 3.386881968833443e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.176913709267778e+03, 5.099317685214914e+03, 5.868670042711394e+03, 0.000000000000000e+00, 0.000000000000000e+00, 4.679632580506672e+03, 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