# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e0bf589b-84ad-4b72-820e-1bcc27c395a8/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 Li2CdCl4 / Imma (74) / materials id 38008](https://mdr.nims.go.jp/datasets/bb4792b7-535e-4baf-a5d4-da4dcd8d0a05) ## Fulltext elements: [Cd, Cl, Li]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: [112.4, 35.45, 6.941]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: [-2.417326565209717e+03, 2.308443293152781e-01, -8.507576732465435e+01, 1.340062792248867e+02, 1.701011000780273e-01, 1.215265892393895e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.304475934069459e+02, 1.915464923038388e+06, -4.776130124337816e+04, -8.042075154078260e+02, 0.000000000000000e+00, -8.657247745531410e+05, 0.000000000000000e+00, 0.000000000000000e+00, 8.990492562480315e+03, 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