# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/06829a3b-b121-44bd-b5c9-18fc08e06e8f/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 MgCl2 / R-3m (166) / materials id 23210](https://mdr.nims.go.jp/datasets/15b570f1-7af1-481c-8b2d-d0ee0a725c5c) ## Fulltext elements: [Mg, Cl]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: [24.31, 35.45]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [2.040438598020592e+02, 1.758283943230388e-02, 8.202800299438381e+01, 0.000000000000000e+00, 1.196484742798691e+05, 4.479067892990830e+01, -2.574234343267413e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.249045974429420e+06, 6.652704381469622e+02, -4.019463788900608e+03, 0.000000000000000e+00, 0.000000000000000e+00, -4.992488540779634e+06, 3.583553178879527e+03, -7.175971864479033e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.872083427196821e+02, 7.866967229455920e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.406613778097336e+06, -3.106189953754351e+01, -3.842690675484643e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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