# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3869d9b3-ac40-4cbe-988f-3bb02a88b7d7/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/c (13) / materials id 771238](https://mdr.nims.go.jp/datasets/e876a973-cb14-4411-88c0-c40be3117369) ## Fulltext elements: [Y, Te, 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, 127.6, 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: [9.070607871592314e+03, 5.194431069673526e+02, 8.469964084572467e-01, 0.000000000000000e+00, 3.522310090235231e-01, 2.562388770721502e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.561230703000339e+06, 0.000000000000000e+00, 2.888605752436669e+05, 0.000000000000000e+00, -6.794904289254472e+04, 1.983779629720831e+02, -5.685235414767877e+02, -4.444995306150755e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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