# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b2dc6c59-9225-486d-a4e0-c02809ddb627/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 TaI2O / C2/m (12) / materials id 29027](https://mdr.nims.go.jp/datasets/f9b81434-33b7-44db-bf35-303aacb6a83d) ## Fulltext elements: [O, I, Ta]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, 126.9, 180.9]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: [3.275451061578833e+01, 1.278530559989760e+01, -5.555817321842228e+00, -8.143311950822160e+03, 4.481409420046063e+00, -2.589831535951866e+00, -5.068298471290621e+05, -6.342498591714066e+05, 8.863493263813119e+03, 5.870922741993060e+06, -6.096248070203310e+03, 0.000000000000000e+00, -2.002181387819204e+06, -7.626218287967261e+01, 2.690602351089500e+01, 3.337370731451070e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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