# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/78170029-0f23-46b5-90b5-d552021fc533/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 Mg(NO3)2 / Pa-3 (205) / materials id 771046](https://mdr.nims.go.jp/datasets/c3452424-22d8-4d2b-848b-74c30eff5ca3) ## Fulltext elements: [Mg, N, O]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, 14.01, 16.0]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: [0.000000000000000e+00, 5.126562664863850e+01, 1.113801288209344e-01, -8.595784969558188e+02, -1.070280424637080e-01, 3.229806101262477e-01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.556383992151725e+05, 6.178541129174124e+03, 0.000000000000000e+00, -3.094163789422160e+03, 9.720905076885980e+00, 1.407901951658028e+01, -1.535337217241909e+02, 0.000000000000000e+00, -1.440466712497249e+05, 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