# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/637cb4c6-e6c6-4649-9720-76ccd18f90a6/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 Y2TeO6 / P2_12_12_1 (19) / materials id 17066](https://mdr.nims.go.jp/datasets/677dad72-3f66-4ecb-a0c0-edc4c0f9cf7a) ## Fulltext elements: [O, Y, Te]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, 127.6]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: [3.230567059560590e+00, 1.225130289533457e+00, 3.346594574020501e-01, 2.339995759585204e+03, -2.430494739941889e+02, 0.000000000000000e+00, -4.297530674119777e+03, 1.069774992232499e+03, 1.563222808445355e+03, 6.825277914959706e+01, -7.342636921676802e+02, 1.723079079276341e+06, 2.083887092763660e+04, 1.707585339348372e+01, -1.566191312585379e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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