# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/842ee18f-8e18-4b6b-ba60-69deccfc453f/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 AsF5 / P6_3/mmc (194) / materials id 8723](https://mdr.nims.go.jp/datasets/a0eab351-05c9-474c-8791-7e0b913c504d) ## Fulltext elements: [F, As]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, 74.92]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: [7.844865358527631e-01, -1.852567926493054e-02, 0.000000000000000e+00, 4.614631696246717e+02, 5.354688400321327e+01, 4.082705630669105e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.892571184728905e+00, 3.551630282807074e+01, 4.261728035042943e+01, 0.000000000000000e+00, 0.000000000000000e+00, 4.225495896891275e+02, 1.084765431888257e+02, 3.702864673499725e+01, 0.000000000000000e+00, 0.000000000000000e+00, 3.588349950161518e+01, -3.113292312065360e+01, 7.146476824251470e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.224752182417576e+01, -9.301861622358223e-01, -3.683978422438082e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.074293868041865e+01, 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