# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e00596a0-2be1-401e-88bf-51419623015e/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 Y6UO12 / R-3 (148) / materials id 27698](https://mdr.nims.go.jp/datasets/dd5543d3-f304-4ff2-9219-cbe8779adc4e) ## Fulltext elements: [O, Y, 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, 88.91, 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: [1.856148162019836e+01, 2.501947309233422e+00, 7.227743329257964e-02, 6.976012294129454e+02, -7.709284879348896e+02, 0.000000000000000e+00, -4.407439664517183e+04, 9.477812160682612e+03, 8.573147959324084e+02, 1.702077588866146e+02, -1.271151230238839e+03, -4.672094086770112e+04, -1.438155306745295e+06, 2.337665922102299e+01, -1.592552460931776e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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