# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0ce9cf94-8c2a-412f-899a-077aa7371b15/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 TcAgO4 / I4_1/a (88) / materials id 7206](https://mdr.nims.go.jp/datasets/fa5acaed-6911-48e0-97c1-0931ac1c7984) ## Fulltext elements: [O, Tc, Ag]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, 99, 107.9]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: [4.754448528543222e+00, 3.538994083289171e-02, 1.274189574790422e-01, -2.946392445507512e+04, 6.997292925133355e+02, 1.389835018994045e+04, -4.064820407783638e+03, 1.481498519486306e+02, -4.023650373059241e+04, 3.286826072624861e+00, 8.379414231745278e+02, -1.874776462243589e+06, -9.151891712758181e+04, 3.324967333798807e+01, 1.571984521619717e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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