# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d1eb04f7-6674-42ad-b740-b5d7f3413fd4/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 LiCuF4 / P2_1/c (14) / materials id 753257](https://mdr.nims.go.jp/datasets/f61b5b0f-d69e-4688-b987-bf4cb9879285) ## Fulltext elements: [Li, Cu, F]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, 63.55, 19.0]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: [1.249285938509621e+03, 1.459910481646623e+00, 1.368706511190929e-02, -3.064289340843362e+02, 1.525542151109738e-03, 2.572349879816786e-01, 0.000000000000000e+00, 0.000000000000000e+00, -1.111413203819809e+05, 1.026899126930723e+05, -2.790275710222754e+02, 0.000000000000000e+00, 1.194484547027769e+03, 2.339953876548078e+00, -1.432041213223807e+01, 1.603753282306165e+01, 0.000000000000000e+00, 3.817931848696856e+04, 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