# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d6b91d4c-3dc4-4690-97fd-3ea4e2c12859/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 Y3SbO7 / Cmcm (63) / materials id 981511](https://mdr.nims.go.jp/datasets/86e7b17a-75ed-4317-9173-0cf2a64a0a19) ## Fulltext elements: [Y, Sb, 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: [88.91, 121.8, 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: [7.248563365135407e+02, -6.087467947515191e+01, 1.285011494646428e+00, 9.227858751912010e+03, 9.675928506226542e-02, 4.829103508288870e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.015810043464694e+05, 0.000000000000000e+00, 3.202184770112391e+05, 0.000000000000000e+00, -3.125978453305446e+04, 4.375114620356647e+01, 1.759650902261972e+02, 8.397216990947731e+03, 0.000000000000000e+00, -1.793485158817326e+05, 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