# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/67d70244-f030-4288-b820-55dffb63ffc0/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 CsReO4 / Pnma (62) / materials id 17621](https://mdr.nims.go.jp/datasets/2c4dd62a-9c65-4224-a83e-67539d0d4e27) ## Fulltext elements: [O, Cs, Re]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, 132.9, 186.2]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: [2.697306649881828e+00, 4.031923457099407e+00, 7.303721524952657e-02, -1.232811256579218e+05, -8.158399615483679e+02, -8.299432207417791e+04, 1.722517284715753e+03, -2.925184920107417e+04, 2.880902597630841e+02, 2.926884827631060e+04, -2.005386060868146e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.951957679430613e+00, -2.273056516954113e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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