# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9d3e771d-0dc1-4fda-8af9-89acf9bd2f73/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 Ca(GaO2)2 / Pnma (62) / materials id 4959](https://mdr.nims.go.jp/datasets/5e28a2ca-333b-4385-bbef-0e0047512c7f) ## Fulltext elements: [O, Ca, Ga]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, 40.08, 69.72]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: [-1.652482118717711e-01, 1.587192611047982e-01, 8.809580201839893e-03, 4.661557644357219e+01, 1.437845307515299e+01, 2.093951982272393e+01, -8.937695946866385e+02, 3.883742209997195e+03, 7.468247912578098e+02, 4.462177892026393e+01, -3.085260398561505e+02, -7.776565008243999e+01, 7.753802734808010e+03, -1.690800126668472e-01, -2.195708968539354e+03, -2.609785932860367e+02, -1.076314615391138e+06, 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