# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f34d78cc-4e88-4f0d-9168-5dee26ce7163/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 ThGeO4 / I4_1/amd (141) / materials id 4790](https://mdr.nims.go.jp/datasets/edbd6a68-7032-4ba7-bc28-8467006359c1) ## Fulltext elements: [O, Ge, Th]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, 72.61, 232.0]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: [1.919551562947515e+00, 4.210527065335026e-02, 2.477590351985404e-01, -1.451129506741865e+03, 4.029217622939130e+01, 2.236376789719186e+03, 1.068994448497378e+03, 6.192477686798995e+01, 1.166688136188827e+03, 1.561081227795518e+00, 3.094309603253783e+02, -2.194850832927494e+05, 9.481918273133656e+02, 1.315548560287597e+02, 3.767464073958628e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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