# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ad43a954-0918-497f-8b23-b5fca1c23f48/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 MgGeO3 / Pbca (61) / materials id 4575](https://mdr.nims.go.jp/datasets/b28693f4-8b01-4e89-8c1d-b3a5792c16a2) ## Fulltext elements: [O, Mg, Ge]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, 72.61]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: [3.368040782246683e+00, 4.202353523038879e-02, 2.462235821620574e-02, 1.079653243315628e+01, 4.281936380122041e+00, 1.506254055302003e+01, 6.207307389618649e+03, -9.876664623783286e+01, 3.174654465540037e+02, 9.834534846777741e+00, -3.768770562182855e+01, 1.442850635449477e+02, 4.770747868184935e+02, 4.733696001984724e+00, -5.554338514910445e+02, 6.478142566333972e+02, 2.005557262592604e+05, -4.950095051675161e+04, 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