# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ecf44cdf-8cbc-4b27-b0e0-0bdaa024e675/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 Lu2ZnS4 / Pnma (62) / materials id 18332](https://mdr.nims.go.jp/datasets/83a86c2c-1f17-4bee-8589-cb70bec6abd9) ## Fulltext elements: [S, Zn, Lu]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: [32.07, 65.39, 175.0]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: [2.180560963203138e+02, 1.141698821787962e-02, 2.003803588736884e+00, 0.000000000000000e+00, 6.362581027789326e+01, 1.442890693117283e+03, 0.000000000000000e+00, -1.605575463353140e+05, 1.325202896630269e+06, 1.291533139534820e+02, -4.909509489033861e+03, 0.000000000000000e+00, 1.397868068794012e+04, -3.095560777960342e+03, 8.671984562075658e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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