# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f463b015-c245-4c8d-a909-7aa5b6184415/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 NaErF4 / I4_1/amd (141) / materials id 674459](https://mdr.nims.go.jp/datasets/79b300a3-244c-48dd-a1de-ca13f163d6cb) ## Fulltext elements: [Na, Er, 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: [22.99, 167.3, 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: [5.572208145979766e+01, 4.541996675411059e+02, 4.869260921038624e-02, 1.011514473809596e+03, 6.326170366260546e-02, 4.301073836949083e-01, 0.000000000000000e+00, 0.000000000000000e+00, -8.689077107416015e+04, 0.000000000000000e+00, -9.095245494902739e+04, 0.000000000000000e+00, 2.253664004311619e+04, 7.023188747672796e+00, 1.704411619622442e+01, -1.207720142656782e+02, 0.000000000000000e+00, 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