# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b0c93f52-f723-4c9d-aa80-304cba77ff16/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 RbLiO / Pnma (62) / materials id 28545](https://mdr.nims.go.jp/datasets/9f54afc3-63b9-4172-b446-24c9636c7dc5) ## Fulltext elements: [Li, O, Rb]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: [6.941, 16.0, 85.47]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: [3.258328536498054e-01, -1.224526730650162e-01, 7.157428611612266e+00, 1.587543913642368e+01, 9.973873287447664e-01, 2.937942833712934e+02, -3.133365945353812e+01, 5.034246393530112e+00, 2.817341909715189e+03, 2.002546615566644e+00, 1.966818753051635e+02, 2.565247797689142e+02, 2.916520653611030e+02, 1.715974051153288e+04, -2.459356108183871e+04, 5.068748629612900e+05, 2.614052312587723e+05, 1.299495902849480e+05, 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