# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/96951dc3-3a2d-4ffe-88c7-203ff2fb6789/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 GaAgO2 / P6_3/mmc (194) / materials id 11020](https://mdr.nims.go.jp/datasets/ffe4fb9b-97b5-46f5-90e7-f5e87fa89694) ## Fulltext elements: [O, Ga, Ag]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, 69.72, 107.9]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: [6.131155909798032e-01, 6.969892729609617e-03, 8.316585403794871e-02, 1.254658905639510e+01, 7.927237544243023e+01, -3.085782251753459e+00, 5.839251642924595e+02, 2.144510555598011e+01, 3.801489116754540e+02, 1.071818750449196e+00, -8.104576976696862e+00, 6.726350619300734e+01, 8.687079205193588e+03, 2.503267444531706e+01, 6.758009867747529e+03, -2.741742429570857e+02, 2.774426853180513e+04, 0.000000000000000e+00, 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