# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3a1d9654-27d7-4bf6-a4c0-54cbbe4b0d76/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 Tm2TiO5 / Pnma (62) / materials id 752579](https://mdr.nims.go.jp/datasets/43ee6895-a1c5-4132-bfcd-307e7c250921) ## Fulltext elements: [Tm, Ti, 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: [168.9, 47.88, 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: [4.073069917166198e+03, 7.728262818368336e+00, 7.196224700775645e-01, -4.923612119522982e+03, -2.856919640733228e-01, -2.346247858439306e-01, 0.000000000000000e+00, 0.000000000000000e+00, -2.717073676752729e+05, 1.937780430502219e+07, 9.410211758220059e+04, 0.000000000000000e+00, 2.501238030810807e+04, 1.438756161232102e+02, -3.122247985256631e+02, 6.719618604271281e+03, 0.000000000000000e+00, 1.568795854200174e+06, 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