# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/919422a6-2d06-4832-8954-a0f85f2ab462/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 Ta2Pd3Se8 / Pbam (55) / materials id 18010](https://mdr.nims.go.jp/datasets/f85e23c9-c486-4f29-8d88-4caa06e2e1b3) ## Fulltext elements: [Se, Pd, 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: [78.96, 106.4, 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: [-6.289164662957845e+01, 1.234533190689750e+00, 1.641879781185504e+00, 2.012951245111528e+02, 4.534951539057286e-01, 2.025120287285290e+03, -1.060070665327873e+07, -1.466499001846672e+05, -1.309999198132889e+05, 3.341275403287366e+02, 3.186043222695659e+03, 1.157966191056565e+06, 8.507514255008962e+03, 6.330291334396302e+02, 1.377402120124782e+04, 1.957449565571265e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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