# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fc9a1916-77a7-46eb-91b2-d17766ebb078/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 Ir2S3 / R-3c (167) / materials id 861979](https://mdr.nims.go.jp/datasets/090d4885-00e6-4f72-82a2-f2d3a6442892) ## Fulltext elements: [Ir, S]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: [192.2, 32.07]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: [-1.030336069790921e+02, 7.599138357909869e+00, -1.800346628087046e+01, -6.677951934018393e+07, 1.034994464934105e+05, 2.155541263381032e+03, -5.461201243369818e+04, 1.495655427782832e+06, -3.823437207249438e+07, 2.296266487460306e+06, 9.147303575745074e+03, 3.958557580493551e+05, -4.198411817978656e+06, 4.589554767474473e+07, 5.318223748845048e+06, -5.994007528222804e+03, -1.224036936436931e+05, -9.726552532343861e+06, 5.175025682747774e+07, 4.819889646218765e+05, -5.451999066047712e+02, -3.319316586084445e+05, 8.703587833860628e+06, 7.016059327215454e+06, 1.242319640100867e+05, 2.911389059007695e+02, -6.573063676241602e+03, -4.829421284179830e+06, 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