# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8f326a94-2945-49f4-a329-0de4477e7630/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 Li4UO5 / I4/m (87) / materials id 7714](https://mdr.nims.go.jp/datasets/e897d3c4-d5c3-4ec2-9bc8-ce3ba297ccfb) ## Fulltext elements: [Li, O, U]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: [6.941, 16.0, 238.0]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: [2.673155789111239e-01, 1.711082642767106e-02, 3.988584102035581e+00, 2.342348491963999e+00, 8.486274740959336e-02, 0.000000000000000e+00, 3.700005953613046e+02, 9.970353760129601e+00, -4.303423912803058e+03, 9.974615575289266e-01, 3.119733044733271e+01, -4.007014746839295e+02, -6.671247183426091e+00, 1.679329215013674e+04, 1.688143880730661e+02, 0.000000000000000e+00, 2.617942626821401e+03, -1.195377139075640e+01, 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