# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/db7f3311-0f1e-479b-bd9e-0835a866110b/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 Ti2CdO5 / Cmcm (63) / materials id 849246](https://mdr.nims.go.jp/datasets/2da3a65a-0323-487b-a246-8eb3ff3472ff) ## Fulltext elements: [Ti, Cd, 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, 112.4, 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: [6.956734898207944e+01, 6.365395049444655e+01, 6.626151306886042e-01, -2.303339887355948e+04, 2.194227676018670e+00, 9.620048430469454e+00, 2.350338985521853e+06, 1.292777766556754e+07, 1.470933360972311e+04, 4.609819897232163e+06, -1.795953009693425e+04, 0.000000000000000e+00, -7.347862628339182e+04, 5.978110607747659e+01, 3.035632262745757e+02, 2.286436513109928e+03, 0.000000000000000e+00, 1.184740859699328e+07, 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