# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/363b927a-2356-4a51-afcf-73e0cd7d9ae6/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 Er3O2F5 / Pnma (62) / materials id 560114](https://mdr.nims.go.jp/datasets/bed49c59-5e14-444f-a699-c3aa9f9cbde6) ## Fulltext elements: [Er, O, F]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: [167.3, 16.0, 19.0]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: [1.012631581816788e+03, -6.019580731459315e-01, 5.725392146516715e-01, 7.826490278631154e+00, 6.339788006485018e+00, 7.134008236008587e+00, 0.000000000000000e+00, 7.445975327076121e+04, -4.506169873254226e+05, 4.863111833613898e+01, -1.438603901789984e+02, 1.760789927229812e+03, 3.377430085867415e+03, -9.663208824632488e+01, 8.325412256276613e+03, 3.223345381474760e+03, 1.161766576694897e+04, -1.506961989254074e+04, 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