# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/14471fcd-fa85-4408-80e5-9c0f7cf48fe1/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 MgMoN2 / P6_3/mmc (194) / materials id 864954](https://mdr.nims.go.jp/datasets/6b995829-71eb-4db9-aad6-ea0cca71ee2b) ## Fulltext elements: [Mg, Mo, N]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, 95.94, 14.01]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: [8.398520129302399e+00, 2.792111441529499e+00, 2.891960987130334e-02, 2.276840922269372e+01, 3.107111191959576e-02, 4.140606466366704e-01, 2.326454034639132e+04, 1.495891390528866e+05, -3.446178096844087e+02, -4.801996097714335e+04, -3.504061475313660e+02, -9.677970579587246e+04, 2.699285995370779e+03, 2.022343139048245e+00, -2.354915334427365e+02, 1.269556742974515e+02, 2.555778983512388e+04, 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