# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d13e173b-55b2-4311-a5a8-306d45812217/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(RhO3)2 / P4_2/mnm (136) / materials id 13836](https://mdr.nims.go.jp/datasets/fadb33b8-827b-44b1-b584-68e148c31a28) ## Fulltext elements: [O, Rh, 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, 102.9, 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: [4.356188933449434e+00, -3.123948782370464e-02, 9.493922712583786e-02, -4.710224016529004e+01, -2.188789302641213e+00, 0.000000000000000e+00, 1.219972066045131e+03, 2.789425550701920e+02, 1.096718069875582e+03, 1.130830417298300e+01, 2.510992629194978e+02, 4.452995495095456e+02, -1.657571993217220e+04, 2.790709269110203e+00, -8.838610236927159e+03, 0.000000000000000e+00, 7.140207732529814e+05, 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