# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/608aa419-ca4f-49d8-8b3f-233a0ea1cf6f/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 Te(HO2)2 / P2_1/c (14) / materials id 625513](https://mdr.nims.go.jp/datasets/e28fc6f8-b964-4c6f-bcf4-93f1526379cc) ## Fulltext elements: [Te, H, 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: [127.6, 1.008, 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: [-5.771490448393256e+02, 9.060146150659940e-01, 3.158136512660399e-01, -1.871846287677836e+01, -1.389688295548382e+00, 3.995592554441356e+00, 0.000000000000000e+00, -4.677562383721326e+06, 1.004023098961658e+06, 1.525149919299256e+03, 3.033933214277245e+02, -4.938621607470318e+03, 1.005208810198727e+02, 1.204544410647807e+01, -4.656102314254263e+01, 2.181939323130975e+02, 7.818982186281036e+04, 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