# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2f1baf32-225d-40ff-9182-bf1f57dd7343/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 Nd2Si2O7 / P2_12_12_1 (19) / materials id 556771](https://mdr.nims.go.jp/datasets/d638a012-29d2-430b-ad45-aeda381d5f0e) ## Fulltext elements: [Nd, Si, 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: [144.2, 28.09, 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: [1.725736918439583e+04, 5.518030557063688e+01, 1.659833852570393e+00, -4.510463828664664e+00, -1.813963440918306e-01, 4.875145355992665e+00, 0.000000000000000e+00, 0.000000000000000e+00, 8.015284069175052e+05, 2.620920144043205e+05, 4.895738299044441e+03, -3.432852066107498e+06, -1.903583055772062e+03, -9.558652656376423e+02, -1.644568953327348e+02, 1.901877585275743e+04, 8.533630024044108e+04, 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