# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d095c098-1d40-4154-804e-18fd175f7696/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 ScSbPt / F-43m (216) / materials id 7173](https://mdr.nims.go.jp/datasets/c250b833-43cc-4571-b62a-68b4ee640cdf) ## Fulltext elements: [Sc, Sb, Pt]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: [44.96, 121.8, 195.1]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: [-1.066258145062641e+04, 3.875549209699004e+00, 1.284650472198852e+00, 8.725504551644440e+02, 1.512331526507855e+00, -2.507402274361411e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.792090559972788e+02, -5.152934587315011e+03, 0.000000000000000e+00, 2.090993202274306e+04, 1.243660865045882e+03, 3.100671994417607e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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