# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2c6fde79-87a4-44ab-a1c5-35809ad797c4/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 YbCl2 / Pbca (61) / materials id 23220](https://mdr.nims.go.jp/datasets/6dd7d65e-efb1-45f9-8181-3959ad3b6b58) ## Fulltext elements: [Cl, Yb]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, 173.0]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [2.398201899613897e+02, 8.666280475671913e+00, -8.164606501757039e+03, -3.284790833667598e+06, -2.470727022509172e+05, 5.212833781543160e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.064132678716073e+07, 1.939060409219405e+06, -3.906974322835342e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.732667314187041e+05, -1.638565403786566e+04, 0.000000000000000e+00, 0.000000000000000e+00, -2.999674898916295e+06, 5.666917935909836e+05, 4.937339573152523e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.866833376944475e+06, 1.116381003365382e+06, -4.636284471530002e+03, 0.000000000000000e+00, 0.000000000000000e+00, -9.990358468288325e+06, 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