# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b5aeb971-87e5-492c-871e-a40c29d8c719/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 As2Ir / P2_1/c (14) / materials id 15649](https://mdr.nims.go.jp/datasets/47250ece-e11f-48bc-af41-3eec7e9f0ad0) ## Fulltext elements: [As, Ir]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: [74.92, 192.2]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: [-3.903323903362770e+00, -8.363125397889821e+00, -2.198697109792742e+02, 1.402937577526286e+04, -6.494009513438589e+03, -3.956109163966152e+01, -3.967115397138814e+04, 2.438292627455654e+06, -9.210084969829806e+03, 7.261905545776717e+04, -6.959056245138668e+03, -4.350900875001127e+05, 9.267124999596721e+05, 5.162603355441413e+03, -1.917676587848963e+04, -4.387254337398577e+03, -1.618891996285813e+06, 1.040123395378673e+06, -2.459609559075598e+03, -1.436277280886356e+04, 3.245615839153965e+03, -1.044189271882088e+06, 5.748121238658744e+05, -1.729880510672467e+03, 1.164363373022183e+05, 2.083873718479578e+03, -6.016915658179980e+05, -7.997253554793032e+05, 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