# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/730a19e5-68a6-4474-bab1-c1cce508e8e6/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 PrBr3 / P6_3/m (176) / materials id 23221](https://mdr.nims.go.jp/datasets/59805e1f-a966-4bf7-9294-f19a33756ec7) ## Fulltext elements: [Br, Pr]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: [79.9, 140.9]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: [1.613178621884060e+03, 1.156350482270196e+00, 1.018886657144323e+05, 0.000000000000000e+00, 1.117529050346969e+07, -3.981241575774051e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.882816194738061e+07, 1.001707600750700e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.846554656903233e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -5.346267262993994e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.041357278447202e+05, -2.133286243118190e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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