# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5c9d3d98-9946-448b-8767-d04184efd9ce/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 Ba7(ClF6)2 / P-6 (174) / materials id 23547](https://mdr.nims.go.jp/datasets/a3e797a2-98a0-4bce-9822-cf2fd377bba8) ## Fulltext elements: [F, Cl, Ba]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: [19.0, 35.45, 137.3]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: [2.259048667196171e+01, 4.890967518873072e+01, 2.638767387491801e+00, -9.121882021341771e+03, 1.021648369247969e+01, 4.416293429062962e+03, -4.001455486707098e+04, 0.000000000000000e+00, 3.066315261166401e+04, 0.000000000000000e+00, -2.615339198273027e+05, 0.000000000000000e+00, 0.000000000000000e+00, -3.253704544067216e+03, -4.374874295040225e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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