# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/80839b5b-639d-4d1b-84f4-d79ed3a09411/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 GaN / P6_3mc (186) / materials id 804](https://mdr.nims.go.jp/datasets/92b313e2-94db-49b5-8214-101d14db2615) ## Fulltext elements: [N, Ga]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, 69.72]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: [-8.355079820743947e+01, 1.168112414354857e+00, 3.743615270022583e+01, 3.653158204513844e+05, 1.956237679492644e+04, 1.465172121534926e+01, 2.328020289656949e+03, -3.719164943500275e+05, -1.367457211330485e+06, -5.247843522557543e+04, 8.479425146599361e+01, -3.998810821467338e+04, -7.894176120624504e+05, -4.770825265971893e+06, 1.377761262735458e+04, 1.458282316451347e+01, -1.229133259550523e+04, 5.643848671267848e+06, 3.028805592671637e+06, 1.379393902711721e+04, 7.609649609353764e+00, -1.463962066344158e+04, -2.460287518339846e+06, 3.518020170386927e+06, -1.110923577227206e+04, -3.535942765142254e+01, -9.588721965999366e+03, -2.941056946557548e+06, 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