# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0df4f696-0cc2-44de-81c9-9fd50b7b89d1/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 CuCl / Pa-3 (205) / materials id 23287](https://mdr.nims.go.jp/datasets/9db96d56-7e6c-4288-bca1-1b9ff7991d4d) ## Fulltext elements: [Cl, Cu]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: [35.45, 63.55]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: [4.023253541415745e+02, -6.705662933671772e-01, -2.140818293957075e+00, 0.000000000000000e+00, -1.086827028423007e+05, 6.028329817064545e+02, 3.508223340508002e+02, 8.555680288588464e+02, 0.000000000000000e+00, -1.373652340210383e+05, -1.832751287426767e+03, 7.187398674642976e+03, 5.441283684747364e+02, 0.000000000000000e+00, 1.025367180454530e+05, -3.077654554667828e+02, -1.011644659881950e+03, -8.852649114671433e+02, 0.000000000000000e+00, -6.149230406087163e+04, 2.406597026446906e+02, 1.099502222482816e+04, -1.053319685682208e+02, 0.000000000000000e+00, -2.984737152142930e+04, -1.086221839508019e+02, -1.442328341851798e+01, -2.060772645551958e+02, 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