# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bb2f7e06-bfb8-4ccc-b391-5cd404024c56/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 Ho2S3 / R-3c (167) / materials id 978093](https://mdr.nims.go.jp/datasets/e8a9bd2b-14c4-49ee-8837-21c6c70bce78) ## Fulltext elements: [Ho, 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: [164.9, 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: [1.521433029727073e+03, 1.410362608175943e+01, 9.985044712540095e+01, 0.000000000000000e+00, -8.710792752868971e+06, 5.678533916511205e+04, -9.818504251161091e+05, 0.000000000000000e+00, 0.000000000000000e+00, -3.292818436667969e+07, 4.583621932417971e+04, 1.421518315372219e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.301056741092666e+04, 8.283470450603234e+04, 0.000000000000000e+00, 0.000000000000000e+00, -6.685538485408598e+06, 4.172029329342842e+03, 1.425952091134073e+07, 0.000000000000000e+00, 0.000000000000000e+00, 7.546654067255632e+06, 3.695279762519671e+04, -9.958867749694710e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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