# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/478ebdf8-98e0-4602-8cb7-febd91e7b183/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 Zn(InS2)2 / Fd-3m (227) / materials id 22052](https://mdr.nims.go.jp/datasets/ad9b1f4b-ae5c-415b-b45b-f0330b82d033) ## Fulltext elements: [S, Zn, In]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, 114.8]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: [4.430265597077542e+01, 4.897584945594306e-02, 8.486736843625411e-02, 0.000000000000000e+00, 6.362623120670456e+03, 2.082080414771198e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.532862751503364e+04, 1.763663826512543e+01, 5.303899453799514e+01, 0.000000000000000e+00, 0.000000000000000e+00, 6.026373925149478e+01, 0.000000000000000e+00, 4.989356880855226e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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