# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c5e752ae-8bd4-4031-891a-8d0774a2f039/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 Lu6UO12 / R-3 (148) / materials id 20402](https://mdr.nims.go.jp/datasets/6a8ccd1d-4eac-4610-acbb-85b9fcf2a47d) ## Fulltext elements: [O, Lu, 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, 175.0, 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: [9.681726883908325e+00, 2.643258407366660e+00, 3.299995695784718e-01, 5.617188112888340e+02, 4.053820980078556e+02, 0.000000000000000e+00, -2.517248551609804e+04, 7.222336704320598e+03, 1.705308329841157e+03, 9.415831339444576e+01, -9.518432629502061e+02, -3.317076244146221e+04, -2.968972105878026e+05, 2.626740429947163e+01, 9.206041514113541e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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