# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3e6ca769-9af5-43ab-8aa6-73b1fe9dad88/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 AlN / P6_3mc (186) / materials id 661](https://mdr.nims.go.jp/datasets/aa0584a1-10b5-4420-9aeb-55ba9a346fae) ## Fulltext elements: [N, Al]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: [14.01, 26.98]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: [-4.379131880557426e+01, 1.546744047755145e+00, 6.639741648005418e+01, -4.772995287170827e+04, 1.139399509139210e+04, 3.444300977862297e+01, 1.440700123353427e+03, -2.062330727785610e+05, -2.047620196503825e+05, -2.291783400494283e+04, 5.281938961011463e+01, -5.268426284955483e+03, -2.965984091442949e+05, -1.173351609882877e+06, -4.507492672111991e+03, 1.521621363896910e+01, -8.557429697025185e+03, 2.757932138329411e+06, 1.769473652531281e+05, 1.286378347018755e+04, 1.512179034121762e+01, 3.615980341657651e+03, -4.119424019291634e+05, 2.289076946421465e+05, 7.537365009771574e+03, -1.318496166771966e+01, -9.042546897120799e+03, -5.527072002609000e+05, 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