# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/19363561-6117-4ca7-85d4-6f42441e9f8c/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 Tm2ZnS4 / Pnma (62) / materials id 17043](https://mdr.nims.go.jp/datasets/52d07cdd-bac4-4d66-bdb7-828c2df99d5f) ## Fulltext elements: [S, Zn, Tm]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, 168.9]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: [-4.639685691756660e+02, -4.384068412908137e-01, 5.280566134374086e+00, 0.000000000000000e+00, 1.567447115426922e+02, -2.110906142832448e+03, 0.000000000000000e+00, 1.215133594892032e+06, 4.184591908844712e+06, 9.013499279076864e+01, 4.471322946486275e+02, 0.000000000000000e+00, -1.572353854070725e+05, -8.304966648787422e+03, -4.376425609837788e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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