# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8fbe5df1-8796-4117-9da2-fdfe93774bb2/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 LiAlCl4 / P2_1/c (14) / materials id 22983](https://mdr.nims.go.jp/datasets/7dd644d8-85c7-414e-ad2f-e933d91c7fc3) ## Fulltext elements: [Li, Al, 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: [6.941, 26.98, 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: 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: [1.102695359333882e+03, 1.487892123048119e+01, -3.910461169687774e-01, -8.819388320278901e+05, 7.927360836516250e-03, -3.164256114101203e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.902973405215220e+06, -7.634671757572977e+04, 0.000000000000000e+00, 2.758339285712058e+04, -1.265887992942738e+03, -2.069265192698223e+03, 4.351833332401088e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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