# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8aec9c26-ca93-4855-8b32-5aefcb894cd8/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 LiScF4 / I4_1/a (88) / materials id 559598](https://mdr.nims.go.jp/datasets/2758b15c-b287-4649-92e5-211be942c579) ## Fulltext elements: [Li, Sc, 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, 44.96, 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: [6.155352494231921e+01, 2.795573957417545e+02, 1.809799278771840e-02, 4.341983907554967e+02, 8.300740525521219e-02, 7.111878348201449e-01, 0.000000000000000e+00, 0.000000000000000e+00, 6.331604376809362e+03, 0.000000000000000e+00, 4.061176997804340e+03, 0.000000000000000e+00, 3.169523152999993e+04, 9.076652535706461e-01, -1.610961648065788e+01, -3.027382304120368e+00, 0.000000000000000e+00, 1.251155744297819e+05, 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