# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3e148322-e8a2-4861-a9fb-1968062c076a/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 Pr10S19 / P4_2/n (86) / materials id 561375](https://mdr.nims.go.jp/datasets/e17be8ba-de88-4ec4-a0ff-420ddfc4e434) ## Fulltext elements: [Pr, 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: [140.9, 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: [1.403908131019388e+04, 2.752786092781600e+02, 1.333313706308822e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.300392364445713e+05, 2.236014831477823e+03, -1.020866370097829e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.439871540421703e+06, -1.893524687352008e+05, -5.821895082531913e+01, 0.000000000000000e+00, 0.000000000000000e+00, 6.867399241932323e+05, 2.253429048949116e+04, -9.347005642445909e+02, 0.000000000000000e+00, 0.000000000000000e+00, 7.320914100788443e+05, 1.749049611597169e+04, 3.841309368725768e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.269782079051046e+05, -9.982378366400323e+04, 1.204941658393385e+03, 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