# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/aa436d6c-b61b-416f-aa8e-d8bc1894e964/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 ErF3 / Pnma (62) / materials id 9371](https://mdr.nims.go.jp/datasets/3364ddff-31a7-4438-ad9d-d47cffe7c388) ## Fulltext elements: [F, Er]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, 167.3]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: [7.214111588174975e+00, 2.747598901089158e+00, 1.151964228523389e+03, 7.686807551933451e+01, 2.464922724913105e+03, -1.684759894523756e+02, -1.728652389437140e+05, 0.000000000000000e+00, 3.799457863008892e+03, -3.973929038691656e+03, 3.425801983244319e+03, -4.919758121965566e+06, 0.000000000000000e+00, -2.924642283902821e+02, -1.792396001379159e+03, 8.302591103663124e+02, -6.333479577015428e+05, 0.000000000000000e+00, -1.638280677672447e+02, 2.879000075577317e+02, -1.245272965599811e+02, 1.790003165364951e+05, 0.000000000000000e+00, -2.207337761600419e+02, -1.213777894361267e+03, -4.541840847419279e+02, 1.152777718644694e+06, 0.000000000000000e+00, 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