# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bab77416-92e9-4c53-938a-0b1216ffaba4/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 In2Si2O7 / C2/m (12) / materials id 2874](https://mdr.nims.go.jp/datasets/f9c927dd-7c60-4a6c-992e-e97d727baf1e) ## Fulltext elements: [O, Si, In]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: [16.0, 28.09, 114.8]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: [1.196473417009184e+01, -1.468834596936918e-01, 5.482406524574611e-01, -1.583268099187096e+01, 1.545557379837299e+02, 6.176894045959214e+01, -3.215725343172259e+03, 1.684140168992213e+02, 1.294408342579531e+03, 3.224718921733951e+00, -2.305323095896494e+01, 3.748100780996075e+03, 1.392155366331453e+04, 4.397842365241459e+01, 7.928820597865591e+04, 3.185397368909197e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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