# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/510a61cb-346a-42b5-a32a-ec2b00d6a124/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 RbNb4Cl11 / Pmma (51) / materials id 30107](https://mdr.nims.go.jp/datasets/1a3a68ef-b027-43b7-b6f5-30a151dc2a37) ## Fulltext elements: [Cl, Rb, Nb]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: [35.45, 85.47, 92.91]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: [-3.100273750024765e+02, 3.592738976545981e+02, 2.665245224984593e+00, 0.000000000000000e+00, -1.892481495288920e+06, 1.780515439593966e+01, 4.563799362932900e+06, 0.000000000000000e+00, -1.226863123809009e+05, 0.000000000000000e+00, 9.950024253888391e+05, 0.000000000000000e+00, 0.000000000000000e+00, -3.830827851158858e+02, 0.000000000000000e+00, 8.290382994195099e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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