# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1bf9c108-ca2a-45e9-aaad-5907caa90ca8/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 UCdO4 / Cmmm (65) / materials id 545598](https://mdr.nims.go.jp/datasets/82498e10-4ef0-43d9-9e58-0062b8de034a) ## Fulltext elements: [O, U, Cd]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, 238.0, 112.4]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: [1.806454160785931e+00, 1.659696726691061e-01, 1.414469592013069e-01, -2.785451238334436e+02, 1.381406519336101e+03, 4.228286480150081e+02, 3.513564943451265e+02, 5.424263688783471e+01, 1.546849630351923e+03, 1.732922576946960e+01, -3.159717414812575e+01, 1.548945147011300e+05, 3.539488428573695e+05, 3.887581556416955e+01, 4.341976328634295e+05, 1.277061058591933e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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