# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a47b6913-14b8-4881-812d-9c483a41dc2f/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 K2UO4 / I4/mmm (139) / materials id 3808](https://mdr.nims.go.jp/datasets/09b6c9b7-4308-48b7-86dd-00a1c5740546) ## Fulltext elements: [O, K, 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, 39.1, 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: [4.894376600820695e+00, 2.457542719281860e+00, 2.079713079548602e-01, 2.587909451464276e+03, 1.154377689577909e+02, 3.386454193690508e+05, -1.441678381714451e+04, 5.634231885601558e+04, 1.255844013074486e+02, -2.196657728269885e+03, 5.137027972862106e+01, 0.000000000000000e+00, -1.900978737821379e+06, 1.573966592686969e+01, 1.004610987315717e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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