# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/49cd6ce2-d872-4b8f-9e9f-61d5f1cd03aa/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 Tm2GeO5 / Pnma (62) / materials id 770379](https://mdr.nims.go.jp/datasets/a21b7f52-f710-42e8-a329-fe579548f7bb) ## Fulltext elements: [Tm, Ge, 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: [168.9, 72.61, 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: [1.765820232618052e+03, 2.494169987236260e+01, 1.884490297681563e-01, -2.938599243997372e+03, 1.038578704446852e-02, 4.072519410572861e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.847184815797707e+04, -4.779039925184572e+06, 2.400103351558414e+04, 0.000000000000000e+00, -1.849467587257225e+03, 1.270569810386393e+02, -7.798258019357704e+01, 2.039180918938973e+03, 0.000000000000000e+00, -2.586828457537224e+05, 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