# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/28005e17-15d3-4d9e-8e6e-dae4bda91667/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 Li2ZnCl4 / Pnma (62) / materials id 23416](https://mdr.nims.go.jp/datasets/fd4a0622-e3ca-4c32-8d1e-38e6e7c7ad04) ## Fulltext elements: [Li, Cl, Zn]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, 65.39]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: [3.775234694458587e+02, -5.101607757425242e-02, 1.151387524273666e+01, 1.009796939289763e+02, 1.035338221346364e-01, 1.895323367625739e+04, 0.000000000000000e+00, 3.197062626701292e+05, 0.000000000000000e+00, 8.330522568976200e+00, 2.479788530955450e+04, 3.463221091209153e+04, -6.025232386512546e+02, 9.891670497340424e+05, 1.025490552243288e+04, 0.000000000000000e+00, 0.000000000000000e+00, 7.535217267303165e+03, 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