# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/73823381-33dc-484b-9315-628dec70eb80/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 Li3ErBr6 / C2/c (15) / materials id 37873](https://mdr.nims.go.jp/datasets/0fd3bfcd-a767-4d60-a24c-754fa7ca3f98) ## Fulltext elements: [Br, Er, Li]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: [79.9, 167.3, 6.941]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: [5.796048842252933e+02, 2.023186143952192e+00, 1.449549678532868e-01, 0.000000000000000e+00, -3.716652080346668e+01, -2.246752874867658e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.597579790956778e+04, 2.330648540111539e+03, -5.994895789724224e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.221922482337369e+02, 0.000000000000000e+00, -9.089976191474551e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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