# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f3ecc6e7-623a-4ffa-bb2f-dd088057493a/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 CdO2 / Pa-3 (205) / materials id 2310](https://mdr.nims.go.jp/datasets/e30d70e8-9d47-43b9-8f81-1d9d3a07bd10) ## Fulltext elements: [O, Cd]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, 112.4]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.715338161022938e-03, 5.553502197497400e-01, -7.480725701687394e+02, 2.193760319311876e+00, -2.924803288041834e+01, 7.189518393633587e+01, 3.075588160741800e+05, 0.000000000000000e+00, 1.206222391160990e+00, 5.914022235588140e+01, -6.263646168862036e+02, 4.883928726876148e+06, 0.000000000000000e+00, 9.911870814373366e-01, 4.275320967132480e+01, 1.252459334947895e+03, 0.000000000000000e+00, 0.000000000000000e+00, 7.935725244730566e-01, -3.102879205911498e+01, -1.266365507027150e+02, 5.062968863878280e+06, 0.000000000000000e+00, -7.159705468496609e-01, -6.412782853411949e+01, -4.112912583200519e+01, 1.513948799567571e+06, 0.000000000000000e+00, -6.571212752349561e-01, 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