# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1599fe30-670b-4665-a3f1-0512cf312bf5/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 TbCl3 / P6_3/m (176) / materials id 568170](https://mdr.nims.go.jp/datasets/b0568edd-7bbe-4030-bc7d-d2b6930860c8) ## Fulltext elements: [Tb, Cl]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: [158.9, 35.45]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: [2.762448117878376e+05, -2.309269546063862e+00, 3.165119455467512e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.493957309629893e+04, 8.046137622352245e+05, 3.156525150345776e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.024425613966060e+05, -2.127736568919819e+06, -4.963806072104906e+06, 0.000000000000000e+00, 0.000000000000000e+00, 1.748227112833984e+05, -1.468734746193443e+06, 7.271566218996648e+06, 0.000000000000000e+00, 0.000000000000000e+00, 4.316471132857758e+03, 2.624832176273294e+05, 8.961138398685208e+06, 0.000000000000000e+00, 0.000000000000000e+00, 7.260037154049564e+03, -1.984188916765112e+05, 4.642895733225523e+06, 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