# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3b334a46-8634-4cb2-8741-9c9d59d1b647/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 Li6FeCl8 / Fm-3m (225) / materials id 28828](https://mdr.nims.go.jp/datasets/15ebab01-3559-4ff8-b3fd-965ce973b5ad) ## Fulltext elements: [Li, Cl, Fe]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: [6.941, 35.45, 55.85]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: [2.513000691423057e+01, 2.243367678548598e-01, 1.864977239236837e+01, 3.183183393122971e+00, 4.242316629088938e-02, 0.000000000000000e+00, 0.000000000000000e+00, 2.363605330778740e+04, 0.000000000000000e+00, 1.182035908449349e+02, 4.072756936543036e+03, 1.263855285973665e+03, -1.559765137655942e+00, 0.000000000000000e+00, -3.027859391698878e+03, 0.000000000000000e+00, 2.845441460412885e+04, 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