# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c72fa558-f7b6-46bd-af0c-357377e00af3/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 U(SbO3)2 / C2/m (12) / materials id 31256](https://mdr.nims.go.jp/datasets/6d100d35-293f-46bf-a30a-135d487bb4d1) ## Fulltext elements: [O, Sb, 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: [16.0, 121.8, 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: [9.105871444647915e-01, 5.278195501032880e-01, 2.208077053439400e+00, 5.483384980013782e+02, -1.541785235104078e+02, 9.177332182922999e+03, -3.383822465726586e+02, 3.516385020264426e+03, 2.426559385631114e+03, -6.731865727882912e+01, -1.290325025866184e+03, 4.482536829413935e+04, 3.789852278061025e+06, 4.423830006893037e+01, 1.740872586921340e+06, 2.967897832218365e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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