# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/65a239b9-0601-4db1-b235-0ee32ef9e476/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 YNbO4 / C2/c (15) / materials id 5387](https://mdr.nims.go.jp/datasets/11c22ba8-ee66-465d-9803-d03b32e03cae) ## Fulltext elements: [O, Y, 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, 88.91, 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: [1.079968631719793e+01, 2.422100345004859e-01, 3.246478517924744e-01, 5.443138072668557e+03, 2.671711715404567e+03, 6.710264319429474e+02, -1.927848387631992e+03, 3.651781733385732e+03, 2.831630561121960e+03, 2.763010503570283e+02, 6.697857574989930e+02, -5.347027589754609e+05, 2.370193804906147e+06, 3.521743910569147e+01, 1.637498270526196e+05, -1.842126453522063e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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