# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/de03dedd-3c1d-43b7-b934-416afc776a3b/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 VCu3Te4 / P-43m (215) / materials id 991652](https://mdr.nims.go.jp/datasets/e94dde79-4f52-4006-9bed-53e055050ac6) ## Fulltext elements: [V, Cu, 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: [50.94, 63.55, 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: [0.000000000000000e+00, 4.332071531994933e-01, 1.518482781683762e-01, 3.853095178396976e+02, 1.433536687628446e-01, 1.373018269946458e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.937229289858040e+03, 4.831342349769835e+02, 0.000000000000000e+00, 1.768991250599338e+03, 1.651294054970529e+02, 8.218033472611162e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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