# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2ef7a112-cdf8-49c0-9df3-3c485a31c917/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 SmRhO3 / Pnma (62) / materials id 3317](https://mdr.nims.go.jp/datasets/60a77b61-12ed-418f-85fa-1442c9d1f3c3) ## Fulltext elements: [O, Rh, Sm]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, 150.4]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: [2.091370191002176e+00, 1.733860415332803e-01, 4.233881748204548e-01, -2.757142506284606e+03, 2.048781166761045e+00, 2.467170556465348e+02, 2.673725009815368e+03, 1.557880220665366e+02, -5.123504102768089e+02, 8.690200643127392e+00, -6.465593141302725e+01, -1.139126408036080e+06, -1.205747454533575e+03, 1.344390253046318e+02, 3.033560663627176e+03, 9.822571703837396e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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