# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fa294efc-4fc1-4f0b-b673-fe2833a81073/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 Ti(GaO2)4 / C2/m (12) / materials id 553991](https://mdr.nims.go.jp/datasets/b215f973-998d-4d69-8bb5-ac9354e059f4) ## Fulltext elements: [Ti, Ga, O]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: [47.88, 69.72, 16.0]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: [1.339156095790077e+02, -1.999831587910344e+02, 2.161565743187414e-01, 1.932621058814149e+02, -3.821113649016600e-01, 3.474171321112154e+00, -9.373087502239985e+06, 0.000000000000000e+00, -1.639775398409261e+04, 0.000000000000000e+00, 4.652165069565092e+04, 9.812370818143040e+06, -5.892793030749882e+04, 1.569601492277366e+01, -7.009856841587671e+01, 1.892324960094994e+03, -2.322987924084578e+05, 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