# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/433686d8-e410-41f3-b24e-49954b5b0d04/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 / I-42d (122) / materials id 32787](https://mdr.nims.go.jp/datasets/34f58153-7614-42c6-a625-6131510bf70f) ## 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: [-4.986007978116175e+03, 1.156577870964978e+01, 3.641767001489394e+01, 0.000000000000000e+00, 7.059448124119139e+07, 2.863833327717162e+04, -1.866774239570894e+06, -5.074471159835901e+05, 0.000000000000000e+00, 0.000000000000000e+00, -1.947230540429195e+05, 5.187197666184388e+06, -5.358573066660217e+06, 0.000000000000000e+00, 0.000000000000000e+00, -9.939483310157651e+03, 2.930608532181250e+06, -7.642299528666467e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.216698700710363e+05, -3.150318426914592e+05, 4.168698877012584e+06, 0.000000000000000e+00, 3.177969423700109e+07, 5.743404692982699e+03, -1.048599521327761e+05, 1.571537811148783e+06, 0.000000000000000e+00, 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