# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2c6a7a45-45c3-45af-99af-4bd9c2863228/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 Mg2SiO4 / Pnma (62) / materials id 2895](https://mdr.nims.go.jp/datasets/1ad5a3e6-9081-4365-8490-a9bda43d1f09) ## Fulltext elements: [O, Mg, Si]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, 24.31, 28.09]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: [2.154327538690863e+00, 2.206000177456997e-01, -9.259398180029911e-02, 2.203773718566816e+01, 4.897857726265524e+00, 3.068940165008511e+02, 3.860525557537013e+03, 4.985282423897078e+02, 1.767350242398299e+02, 2.580337044988410e+01, -7.371867315269250e+01, 1.936104398685355e+03, -7.401280862432921e+01, 2.879954806879134e+00, 5.250251381922470e+01, -1.182120329314609e+04, -5.367266133768127e+05, 3.129017353708538e+04, 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