# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/085c1ccd-3ef9-49db-9c5d-9552f9aaf5be/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 CsMgH3 / R-3m (166) / materials id 23751](https://mdr.nims.go.jp/datasets/9461ab02-1962-4a11-9d06-7fcb0d92f08d) ## Fulltext elements: [H, Mg, Cs]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: [1.008, 24.31, 132.9]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: 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: [9.285532550200791e-02, 1.679773918442714e-02, 1.654134839494409e+00, 3.800156597720378e-01, -1.252767805423109e+01, -7.232771273493039e+02, 4.301241806100889e+01, 2.564454836005429e+00, 1.485129875566559e+03, 6.206987770184731e-01, -1.127362236093839e+02, 1.896244075390100e+01, 6.031934063315897e+03, 1.144069939865501e+04, 0.000000000000000e+00, 0.000000000000000e+00, 7.295423423160975e+02, 0.000000000000000e+00, 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