# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f9a8a9d4-2c0b-47df-b6c0-f0677c1dd1e5/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 Nb2ZnO6 / Pbcn (60) / materials id 17177](https://mdr.nims.go.jp/datasets/00117938-34a2-415d-a180-69f2d0853e2d) ## Fulltext elements: [O, Zn, Nb]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, 65.39, 92.91]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: [8.266178371875241e-01, 2.376931322548750e-01, 9.761100518986630e-01, -2.790351345629799e+01, 8.699211724391206e+02, 2.951996765465587e+01, -2.303188311497120e+03, -4.521681506882361e+03, 3.219689794923040e+02, 5.738830180270812e+01, -1.189444718477368e+02, 1.015998511045089e+04, -2.499709381944068e+05, 6.987991865308689e+01, 6.193500545879106e+04, 1.275254500444310e+04, -8.196705797907048e+06, 0.000000000000000e+00, 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