# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7b561fe5-0557-4cd2-944b-f75b2ce7b938/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 HfSe2 / P-3m1 (164) / materials id 985831](https://mdr.nims.go.jp/datasets/4de8b02a-773d-4921-8f96-3bdb6d7096a8) ## Fulltext elements: [Hf, Se]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: [178.5, 78.96]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-2.712494320627456e+03, -5.363768767903283e-01, 1.229309677565294e+02, 0.000000000000000e+00, 3.008792565358258e+06, 2.363511119231172e+02, -2.064860613045326e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.638866296403834e+03, -5.166382488109948e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -5.395791718036005e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.738173222102315e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.752361097047318e+07, 4.409127354136249e+01, 1.449289811418505e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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