# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/474cfd4d-e59c-4d2f-bfcf-b23057cd829c/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 NdRhO3 / Pnma (62) / materials id 4582](https://mdr.nims.go.jp/datasets/3240195f-7328-40f5-951a-6d6eb1673db4) ## Fulltext elements: [O, Rh, Nd]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, 144.2]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: [2.210576133586533e+00, 1.783708888462913e-01, 4.924991806601161e-01, -9.263115393570774e+01, 1.437440234768776e+00, 2.529118448464284e+02, 1.488849946695223e+03, 8.216314758346745e+01, 7.638242849819144e+01, 9.618303938012525e+00, 2.892944328003493e+01, -1.378498607383485e+06, -5.264460011039191e+02, 2.006030842785763e+02, -2.941028766768953e+03, 9.873403392262572e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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